Advanced materials for solid state hydrogen storage: “Thermal engineering issues”

International Nuclear Information System (INIS)

Srinivasa Murthy, S.; Anil Kumar, E.

2014-01-01

Hydrogen has been widely recognized as the “Energy Carrier” of the future. Efficient, reliable, economical and safe storage and delivery of hydrogen form important aspects in achieving success of the “Hydrogen Economy”. Gravimetric and volumetric storage capacities become important when one considers portable and mobile applications of hydrogen. In the case of solid state hydrogen storage, the gas is reversibly embedded (by physisorption and/or chemisorption) in a solid matrix. A wide variety of materials such as intermetallics, physisorbents, complex hydrides/alanates, metal organic frameworks, etc. have been investigated as possible storage media. This paper discusses the feasibility of lithium– and sodium–aluminum hydrides with emphasis on their thermodynamic and thermo-physical properties. Drawbacks such as poor heat transfer characteristics and poor kinetics demand special attention to the thermal design of solid state storage devices. - Highlights: • Advanced materials suitable for solid state hydrogen storage are discussed. • Issues related to thermodynamic and thermo-physical properties of hydriding materials are brought out. • Hydriding and dehydriding behavior including sorption kinetics of complex hydrides with emphasis on alanates are explained

Equation of state of solid hydrogen at 0 deg K. A bibliography

International Nuclear Information System (INIS)

Masse, J.-L.

1976-02-01

A bibliography on solid hydrogen at 0 deg K and its equation of state is presented. The isotopic derivatives of H 2 , such as D 2 , HD... have been also considered. Both phases of solid hydrogen have been studied: the molecular phase, stable at low pressure, and the hypothetical metallic phase which must be stable at high pressure. The study of the molecular phase is preceded by a study of the (H 2 ,H 2 ) system of two interacting H 2 , molecules, the knowledge of this interaction being necessary for the evaluation of the properties of the molecular solid phase. The three systems: (H 2 ,H 2 ) and molecular solid and metallic hydrogen have been considered from the experimental and theoretical points of view. The properties of these systems, the measurement or the calculation of which are described, have been chosen on account of their usefulness for the research of the equation of state of molecular or metallic solid hydrogen. Different interaction potentials of two hydrogen molecules and different equations of state of molecular solid hydrogen are given. Some theoretical studies are proposed [fr

Electrochemical hydrogen isotope sensor based on solid electrolytes

International Nuclear Information System (INIS)

Matsumoto, Hiroshige; Hayashi, Hiroyuki; Iwahara, Hiroyasu

2002-01-01

An electrochemical sensor of hydrogen isotopes based on solid electrolytes for determining the hydrogen isotope ratios and/or total hydrogen pressures in gases has been developed. This paper describes the methodology of the hydrogen isotope sensing together with experimental results. When hydrogen isotope gases are introduced to an electrochemical cell using a proton-conducting electrolyte (hydrogen isotope cell), the electromotive force (EMF) of the cell agrees with that theoretically estimated. The EMF signals can be used for the determination of the hydrogen isotope ratio in gases if the total hydrogen pressure is predetermined. By supplementary use of an oxide ion conductor cell, both the ratio and total pressure of the hydrogen isotopes can be simultaneously determined. (author)

Standardized Testing Program for Solid-State Hydrogen Storage Technologies

Energy Technology Data Exchange (ETDEWEB)

Miller, Michael A. [Southwest Research Institute; Page, Richard A. [Southwest Research Institute

2012-07-30

In the US and abroad, major research and development initiatives toward establishing a hydrogen-based transportation infrastructure have been undertaken, encompassing key technological challenges in hydrogen production and delivery, fuel cells, and hydrogen storage. However, the principal obstacle to the implementation of a safe, low-pressure hydrogen fueling system for fuel-cell powered vehicles remains storage under conditions of near-ambient temperature and moderate pressure. The choices for viable hydrogen storage systems at the present time are limited to compressed gas storage tanks, cryogenic liquid hydrogen storage tanks, chemical hydrogen storage, and hydrogen absorbed or adsorbed in a solid-state material (a.k.a. solid-state storage). Solid-state hydrogen storage may offer overriding benefits in terms of storage capacity, kinetics and, most importantly, safety.The fervor among the research community to develop novel storage materials had, in many instances, the unfortunate consequence of making erroneous, if not wild, claims on the reported storage capacities achievable in such materials, to the extent that the potential viability of emerging materials was difficult to assess. This problem led to a widespread need to establish a capability to accurately and independently assess the storage behavior of a wide array of different classes of solid-state storage materials, employing qualified methods, thus allowing development efforts to focus on those materials that showed the most promise. However, standard guidelines, dedicated facilities, or certification programs specifically aimed at testing and assessing the performance, safety, and life cycle of these emergent materials had not been established. To address the stated need, the Testing Laboratory for Solid-State Hydrogen Storage Technologies was commissioned as a national-level focal point for evaluating new materials emerging from the designated Materials Centers of Excellence (MCoE) according to

Effects of hydrogen bonds on solid state TATB, RDX, and DATB under high pressures

International Nuclear Information System (INIS)

Guo Feng; Hu Hai-Quan; Zhang Hong; Cheng Xin-Lu

2014-01-01

To probe the behavior of hydrogen bonds in solid energetic materials, we conduct ReaxFF and SCC–DFTB molecular dynamics simulations of crystalline TATB, RDX, and DATB. By comparing the intra- and inter-molecular hydrogen bonding rates, we find that the crystal structures are stabilized by inter-molecular hydrogen bond networks. Under high-pressure, the inter- and intra-molecular hydrogen bonds in solid TATB and DATB are nearly equivalent. The hydrogen bonds in solid TATB and DATB are much shorter than in solid RDX, which suggests strong hydrogen bond interactions existing in these energetic materials. Stretching of the C–H bond is observed in solid RDX, which may lead to further decomposition and even detonation. (condensed matter: structural, mechanical, and thermal properties)

Solid solutions of hydrogen in niobium, molybdenum and their alloys

International Nuclear Information System (INIS)

Ishikawa, T.T.

1981-01-01

The solubility of hydrogen in niobium, molybdenum and niobium-molybdenum alloys with varying atomic fraction of molybdenum from 0.15 to 0.75 was measured on the temperature range of 673 0 K to 1273 0 k for one atmosphere hydrogen pressure. The experimental technique involved the saturation of the solvent metal or alloy with hydrogen, followed by quenching and analysis of the solid solution. The results obtained of hydrogen solubility are consistent with the quasi-regular model for the dilute interstitial solid solutions. The partial molar enthalpy and partial molar entropy in excess of the dissolved hydrogen atoms were calculated from data of solubility versus reciprocal doping temperature. The variation of the relative partial molar enthalpy of hydrogen dissolved in niobium-molybdenum alloys, with the increase of molybdenum content of the alloy was analized. (Author) [pt

Nano-porous inorganic-organic hybrid solids: some new materials for hydrogen storage?

International Nuclear Information System (INIS)

Serre, Ch.; Loiseau, Th.; Devic, T.; Ferey, G.; Latroche, M.; Llewellyn, Ph.; Chang, J.S.

2007-01-01

Recently have been studied chromium and aluminium carboxylates MIL-53(Cr, Al), formed from an assembly of octahedrons chains and for hybrid solids formed with octahedrons trimers (MIL-100 and MIL-101). The compounds MIL-53(Cr, Al) are microporous (φ ∼ 8 Angstroms, while the solids MIL-100 and MIL-101 have very large porous volumes (V ∼ 380-700000 (Angstroms) 3 ), meso-pores (φ ∼ 25-34 Angstroms) and a zeolitic architecture. The resulting specific surface areas are important (between 1000 m 2 .g -1 for the MIL-53 solids, until 4000 m 2 .g -1 for the MIL-101 compound. Here is presented their hydrogen adsorption properties, at 77 K and 298 K. The hydrogen adsorption kinetics has been tested on the MIL-53(Cr) solid at 77 K. Hydrogen adsorption micro-calorimetry experiments have been carried out on these solids between 0 and 1 bar in order to obtain data on the strongest interactions between hydrogen and the porous basic structure. (O.M.)

Orientationally ordered ridge structures of aluminum films on hydrogen terminated silicon

DEFF Research Database (Denmark)

Quaade, Ulrich; Pantleon, Karen

2006-01-01

Films of aluminum deposited onto Si(100) substrates show a surface structure of parallel ridges. On films deposited on oxidized silicon substrates the direction of the ridges is arbitrary, but on films deposited on hydrogen-terminated Si(100) the ridges are oriented parallel to the < 110 > direct......Films of aluminum deposited onto Si(100) substrates show a surface structure of parallel ridges. On films deposited on oxidized silicon substrates the direction of the ridges is arbitrary, but on films deposited on hydrogen-terminated Si(100) the ridges are oriented parallel to the ... > directions on the silicon substrate. The ridge structure appears when the film thickness is above 500 nm, and increasing the film thickness makes the structure more distinct. Anodic oxidation enhances the structure even further. X-ray diffraction indicates that grains in the film have mostly (110) facets...

Nano-porous inorganic-organic hybrid solids: some new materials for hydrogen storage?; Les solides hybrides inorganiques-organiques nanoporeux: de nouveaux materiaux pour le stockage de l'hydrogene?

Energy Technology Data Exchange (ETDEWEB)

Serre, Ch.; Loiseau, Th.; Devic, T.; Ferey, G. [Institut Lavoisier, UMR CNRS 8180, 78 - Versailles (France); Latroche, M. [Laboratoire de Chimie Metallurgique des Terres Rares (LCMTR), UPR 209, 94 - Thiais (France); Llewellyn, Ph. [Universite de Provence, Madirel, 13 - Marseille (France); Chang, J.S. [KRICT, Daejon (Korea, Republic of)

2007-07-01

Recently have been studied chromium and aluminium carboxylates MIL-53(Cr, Al), formed from an assembly of octahedrons chains and for hybrid solids formed with octahedrons trimers (MIL-100 and MIL-101). The compounds MIL-53(Cr, Al) are microporous ({phi} {approx} 8 Angstroms, while the solids MIL-100 and MIL-101 have very large porous volumes (V {approx} 380-700000 (Angstroms){sup 3}), meso-pores ({phi} {approx} 25-34 Angstroms) and a zeolitic architecture. The resulting specific surface areas are important (between 1000 m{sup 2}.g{sup -1} for the MIL-53 solids, until 4000 m{sup 2}.g{sup -1} for the MIL-101 compound. Here is presented their hydrogen adsorption properties, at 77 K and 298 K. The hydrogen adsorption kinetics has been tested on the MIL-53(Cr) solid at 77 K. Hydrogen adsorption micro-calorimetry experiments have been carried out on these solids between 0 and 1 bar in order to obtain data on the strongest interactions between hydrogen and the porous basic structure. (O.M.)

Investigation of solid-phase hydrogenation of amino acids and peptides

International Nuclear Information System (INIS)

Zolotarev, Yu.A.; Myasoedov, N.F.; Zajtsev, D.A.; Lubnin, M.Yu.; Tatur, V.Yu.; Kozik, V.S.; Dorokhova, E.M.; Rozenberg, S.N.

1990-01-01

The possibility of synthesizing amino acids and peptides multiply labelled with tritium or deuterium by the method of solid-phase isotopic exchange with gaseous hydrogen isotopes was verified. Establishment of the isotopic hydrogen equilibrium between the gaseous phase and the solid phase formed by the amino acid molecules was found experimentally. The activation energy of the isotopic exchange is 13 kcal/mol. A mathematical model was set up for the isotopic exchange with a probable substitution of hydrogen atoms. Uniformly labelled amino acids were obtained in a high optical purity and with 80 to 90% hydrogen substitution by deuterium and tritium. Tritiated peptides were prepared in high yields at molar activities of 1.5 to 3.7 TBq/mmol. (author). 4 tabs

Isotopic and spin-nuclear effects in solid hydrogens (Review Article)

Science.gov (United States)

Freiman, Yuri A.; Crespo, Yanier

2017-12-01

The multiple isotopic family of hydrogens (H2, HD, D2, HT, DT, T2) due to large differences in the de Boer quantum parameter and inertia moments displays a diversity of pronounced quantum isotopic solid-state effects. The homonuclear members of this family (H2, D2, T2) due to the permutation symmetry are subjects of the constraints of quantum mechanics which link the possible rotational states of these molecules to their total nuclear spin giving rise to the existence of two spin-nuclear modifications, ortho- and parahydrogens, possessing substantially different properties. Consequently, hydrogen solids present an unique opportunity for studying both isotope and spin-nuclear effects. The rotational spectra of heteronuclear hydrogens (HD, HT, DT) are free from limitations imposed by the permutation symmetry. As a result, the ground state of these species in solid state is virtually degenerate. The most dramatic consequence of this fact is an effect similar to the Pomeranchuk effect in 3He which in the case of the solid heteronuclear hydrogens manifests itself as the reentrant broken symmetry phase transitions. In this review article we discuss thermodynamic and kinetic effects pertaining to different isotopic and spin-nuclear species, as well as problems that still remain to be solved.

CHALLENGES IN GENERATING HYDROGEN BY HIGH TEMPERATURE ELECTROLYSIS USING SOLID OXIDE CELLS

Energy Technology Data Exchange (ETDEWEB)

M. S. Sohal; J. E. O' Brien; C. M. Stoots; M. G. McKellar; J. S. Herring; E. A. Harvego

2008-03-01

Idaho National Laboratory’s (INL) high temperature electrolysis research to generate hydrogen using solid oxide electrolysis cells is presented in this paper. The research results reported here have been obtained in a laboratory-scale apparatus. These results and common scale-up issues also indicate that for the technology to be successful in a large industrial setting, several technical, economical, and manufacturing issues have to be resolved. Some of the issues related to solid oxide cells are stack design and performance optimization, identification and evaluation of cell performance degradation parameters and processes, integrity and reliability of the solid oxide electrolysis (SOEC) stacks, life-time prediction and extension of the SOEC stack, and cost reduction and economic manufacturing of the SOEC stacks. Besides the solid oxide cells, balance of the hydrogen generating plant also needs significant development. These issues are process and ohmic heat source needed for maintaining the reaction temperature (~830°C), high temperature heat exchangers and recuperators, equal distribution of the reactants into each cell, system analysis of hydrogen and associated energy generating plant, and cost optimization. An economic analysis of this plant was performed using the standardized H2A Analysis Methodology developed by the Department of Energy (DOE) Hydrogen Program, and using realistic financial and cost estimating assumptions. The results of the economic analysis demonstrated that the HTE hydrogen production plant driven by a high-temperature helium-cooled nuclear power plant can deliver hydrogen at a cost of $3.23/kg of hydrogen assuming an internal rate of return of 10%. These issues need interdisciplinary research effort of federal laboratories, solid oxide cell manufacturers, hydrogen consumers, and other such stakeholders. This paper discusses research and development accomplished by INL on such issues and highlights associated challenges that need to

Theoretical realization of cluster-assembled hydrogen storage materials based on terminated carbon atomic chains.

Science.gov (United States)

Liu, Chun-Sheng; An, Hui; Guo, Ling-Ju; Zeng, Zhi; Ju, Xin

2011-01-14

The capacity of carbon atomic chains with different terminations for hydrogen storage is studied using first-principles density functional theory calculations. Unlike the physisorption of H(2) on the H-terminated chain, we show that two Li (Na) atoms each capping one end of the odd- or even-numbered carbon chain can hold ten H(2) molecules with optimal binding energies for room temperature storage. The hybridization of the Li 2p states with the H(2)σ orbitals contributes to the H(2) adsorption. However, the binding mechanism of the H(2) molecules on Na arises only from the polarization interaction between the charged Na atom and the H(2). Interestingly, additional H(2) molecules can be bound to the carbon atoms at the chain ends due to the charge transfer between Li 2s2p (Na 3s) and C 2p states. More importantly, dimerization of these isolated metal-capped chains does not affect the hydrogen binding energy significantly. In addition, a single chain can be stabilized effectively by the C(60) fullerenes termination. With a hydrogen uptake of ∼10 wt.% on Li-coated C(60)-C(n)-C(60) (n = 5, 8), the Li(12)C(60)-C(n)-Li(12)C(60) complex, keeping the number of adsorbed H(2) molecules per Li and stabilizing the dispersion of individual Li atoms, can serve as better building blocks of polymers than the (Li(12)C(60))(2) dimer. These findings suggest a new route to design cluster-assembled hydrogen storage materials based on terminated sp carbon chains.

Evidence for vitreous type orientational ordering in solid hydrogen and deuterium

International Nuclear Information System (INIS)

Devoret, M.

1982-09-01

This shown a new region in the concentration-temperature phase diagram for solid mixtures of ortho and para-hydrogen. This region is characterized by a vitreous type orientational, ordering, with the quadrupoles of the ortho molecules frozen in a random fashion. This new vitreous state is called a quadrupolar glass, with the degrees of freedom of quadrupolar moments frozen in solid hydrogen [fr

Microtribological study of perfluoropolyether with different functional groups coated on hydrogen terminated Si

Energy Technology Data Exchange (ETDEWEB)

Minn, Myo; Satyanarayana, Nalam [Department of Mechanical Engineering, National University of Singapore, 9 Engineering Drive 1, Singapore 117576 (Singapore); Sinha, Sujeet K., E-mail: mpesks@nus.edu.sg [Department of Mechanical Engineering, National University of Singapore, 9 Engineering Drive 1, Singapore 117576 (Singapore); Kondo, Hirofumi [Sony Chemical and Information Device Corporation, R and D Division, 1078 Kamiishikawa, Kanuma 322-8503 (Japan)

2012-01-15

Friction and wear properties of different perfluoropolyether (PFPE) films with and without hydrogen termination on Si (Si-H) were studied using a ball-on-disk tribometer. The physical and chemical properties of the films were evaluated using contact angle measurement, atomic force microscopy and X-ray photoelectron spectroscopy. Coating of PFPEs onto bare Si has lowered the coefficient of friction (from 0.6 for Si to {approx}0.05 with PFPE) and enhanced the wear durability (20,000 times) in comparison with those for bare Si which failed immediately. The introduction of hydrogen termination onto Si prior to PFPE coating has further increased the wear durability of PFPE with different functional groups several times (>5 times) under a normal load of 30 mN and a sliding speed of 0.052 m/s.

NATO Advanced Study Institute on Hydrogen in Disordered and Amorphous Solids

CERN Document Server

Bowman, Robert

1986-01-01

This is the second volume in the NATO ASI series dealing with the topic of hydrogen in solids. The first (V. B76, Metal Hydrides) appeared five years ago and focussed primarily on crystalline phases of hydrided metallic systems. In the intervening period, the amorphous solid state has become an area of intense research activity, encompassing both metallic and non-metallic, e.g. semiconducting, systems. At the same time the problem of storage of hydrogen, which motivated the first ASI, continues to be important. In the case of metallic systems, there were early indications that metallic glasses and disordered alloys may be more corrosion resistant, less susceptible to embrittlement by hydrogen and have a higher hydrogen mobility than ordered metals or intermetallics. All of these properties are desirable for hydrogen storage. Subsequent research has shown that thermodynamic instability is a severe problem in many amorphous metal hydrides. The present ASI has provided an appropriate forum to focus on these issu...

Review of Solid State Hydrogen Storage Methods Adopting Different Kinds of Novel Materials

Directory of Open Access Journals (Sweden)

Renju Zacharia

2015-01-01

Full Text Available Overview of advances in the technology of solid state hydrogen storage methods applying different kinds of novel materials is provided. Metallic and intermetallic hydrides, complex chemical hydride, nanostructured carbon materials, metal-doped carbon nanotubes, metal-organic frameworks (MOFs, metal-doped metal organic frameworks, covalent organic frameworks (COFs, and clathrates solid state hydrogen storage techniques are discussed. The studies on their hydrogen storage properties are in progress towards positive direction. Nevertheless, it is believed that these novel materials will offer far-reaching solutions to the onboard hydrogen storage problems in near future. The review begins with the deficiencies of current energy economy and discusses the various aspects of implementation of hydrogen energy based economy.

Measurement of scattering cross sections of liquid and solid hydrogen, deuterium and deuterium hydride for thermal neutrons

International Nuclear Information System (INIS)

Seiffert, W.D.

1984-01-01

The scattering cross sections for liquid and solid normal hydrogen, para-hydrogen, deuterium and deuterium hydride were measured for thermal neutrons at various temperatures. Solid samples of para-hydrogen exhibit distinct Bragg scattering. Liquid samples of deuterium and para-hydrogen also exhibit distinct coherence phenomena, which is indicative of strong local ordering of the molecules. In para-hydrogen and deuterium hydride, the threshold for scattering with excitation of rotations is distinctly visible. The positions of the thresholds show that the molecules in liquid hydrogen are not unhindered in their movement. After the beginning of the rotational excitation the scattering cross sections of liquid and solid para-hydrogen have different shapes which is to be explained by the differences in the dynamics of the liquid and the solid specimen. 22 references

Development of repetitive railgun pellet accelerator and steady-state solid hydrogen extruder

International Nuclear Information System (INIS)

Oda, Y.; Azuma, K.; Onozuka, M.; Kasai, S.; Hasegawa, K.

1995-01-01

Development of a railgun pellet accelerator and a steady-state solid hydrogen extruder has been conducted. A railgun accelerator has been investigated for a high-speed repetitive pellet acceleration. The final objective is to develop a railgun system that can achieve a 5km/s speed-class repetitive (2Hz) pellet injection. Improvement in the acceleration efficiency showed a pellet velocity of more than 2km/s using augment rails and a ceramic insulator applied to a 1m-long railgun. The other investigation focused on the development of a steady-state solid hydrogen extruder for continuous pellet injection. Screw-driven extruding system has been chosen to extrude the solid hydrogen filament continuously. Theoretical considerations suggest that temperature control of the system is important in future research. (orig.)

Development of repetitive railgun pellet accelerator and steady-state solid hydrogen extruder

Energy Technology Data Exchange (ETDEWEB)

Oda, Y. [Mitsubishi Heavy Industries Ltd., Kobe (Japan); Azuma, K. [Mitsubishi Heavy Industries Ltd., Kobe (Japan); Onozuka, M. [Mitsubishi Heavy Industries Ltd., Kobe (Japan); Kasai, S. [Japan Atomic Energy Research Inst., Ibaraki (Japan); Hasegawa, K. [Japan Atomic Energy Research Inst., Ibaraki (Japan)

1995-12-31

Development of a railgun pellet accelerator and a steady-state solid hydrogen extruder has been conducted. A railgun accelerator has been investigated for a high-speed repetitive pellet acceleration. The final objective is to develop a railgun system that can achieve a 5km/s speed-class repetitive (2Hz) pellet injection. Improvement in the acceleration efficiency showed a pellet velocity of more than 2km/s using augment rails and a ceramic insulator applied to a 1m-long railgun. The other investigation focused on the development of a steady-state solid hydrogen extruder for continuous pellet injection. Screw-driven extruding system has been chosen to extrude the solid hydrogen filament continuously. Theoretical considerations suggest that temperature control of the system is important in future research. (orig.).

Solid hydrogen pellet injection into the ORMAK Tokamak

International Nuclear Information System (INIS)

Foster, C.A.; Colchin, R.J.; Milora, S.L.; Kim, K.; Turnbull, R.J.

1977-06-01

Solid hydrogen spheres were injected into the ORMAK tokamak as a test of pellet refueling for tokamak fusion reactors. Pellets 70 μm and 210 μm in diameter were injected with speeds of 91 m/sec and 100 m/sec, respectively. Each of the 210-μm pellets added about 1% to the number of particles contained in the plasma. Excited neutrals, ablated from these hydrogen spheres, emitted light which was monitored either by a photomultiplier or by a high speed framing camera. From these light signals it was possible to measure pellet lifetimes, ablation rates, and the spatial distribution of hydrogen atoms in the ablation clouds. The average measured lifetime of the 70-μm pellets was 422 μsec, and the 210-μm spheres lasted 880 μsec under bombardment by the plasma. These lifetimes and measured ablation rates are in good agreement with a theoretical model which takes into account shielding of plasma electrons by hydrogen atoms ablated from spherical hydrogen ice

Operation of the cryotron relaxation generator in solid argon and hydrogen

International Nuclear Information System (INIS)

Rakhubvsky, V.A.

2008-01-01

The research results of the cryotron relaxation generator (CRG) operation in solid argon, normal hydrogen and parahydrogen have been given. The frequency transition times for CRG at different values of cooling the solid gas have been measured

Solid solutions of hydrogen uranyl phosphate and hydrogen uranyl arsenate. A family of luminescent, lamellar hosts

International Nuclear Information System (INIS)

Dorhout, P.K.; Rosenthal, G.L.; Ellis, A.B.

1988-01-01

Hydrogen uranyl phosphate, HUO 2 PO 4 x 4H 2 O (HUP), and hydrogen uranyl arsenate, HUO 2 AsO 4 x 4H 2 O (HUAs), form solid solutions of composition HUO 2 (PO 4 ) 1-x (AsO 4 )x (HUPAs), representing a family of lamellar, luminescent solids that can serve as hosts for intercalation chemistry. The solids are prepared by aqueous precipitation reactions from uranyl nitrate and mixtures of phosphoric and arsenic acids; thermogravimetric analysis indicates that the phases are tetrahydrates, like HUP and HUAs. Powder x-ray diffraction data reveal the HUPAs solids to be single phases whose lattice constants increase with X, in rough accord with Vegard's law Spectral shifts observed for the HUPAs samples. Emission from the solids is efficient (quantum yields of ∼ 0.2) and long-lived (lifetimes of ∼ 150 μs), although the measured values are uniformly smaller than those of HUP and HUAs; unimolecular radiative and nonradiative rate constants for excited-state decay of ∼ 1500 and 5000 s -1 , respectively, have been calculated for the compounds. 18 refs., 5 figs., 2 tabs

Range measurements of keV hydrogen ions in solid oxygen and carbon monoxide

International Nuclear Information System (INIS)

Schou, J.; Soerensen, H.; Andersen, H.H.; Nielsen, M.; Rune, J.

1984-01-01

Ranges of 1.3-3.5 keV/atom hydrogen and deuterium molecular ions have been measured by a thin-film reflection method. The technique, used here for range measurements in solid oxygen and carbon monoxide targets, is identical to the one used previously for range measurements in hydrogen and nitrogen. The main aim was to look for phase-effects, i.e. gas-solid differences in the stopping processes. While measured ranges in solid oxygen were in agreement with known gas data, the ranges in solid carbon monoxide were up to 50% larger than those calculated from gas-stopping data. The latter result agrees with that previously found for solid nitrogen. (orig.)

Emission of muonic hydrogen isotopes from solid hydrogen layers into vacuum

International Nuclear Information System (INIS)

Marshall, G.M.; Bailey, J.M.; Beer, G.A.

1989-10-01

An attempt was made to create in vacuum free muonic hydrogen atoms, muonic protium and muonic deuterium. The method was based on slowing a beam of μ - in a layer of solid hydrogen in vacuum frozen to a cold gold foil substrate. Muonic hydrogen formed near the surface is emitted from it into the vacuum with an energy spectrum determined by the formation and subsequent scattering processes. For a typical total cross section of 10 -19 cm 2 the interaction probability is 0.43 μm -1 . For emission at an energy of order 1 eV, the muonic atom travels about 10 mm in vacuum prior to decay. No corresponding signal was observed with a deuterium layer of 6 mg/cm 2 . The natural abundance of deuterons in hydrogen leads to transfer of the muon in a mean time of about 500 ns, and because of the reduced mass difference, the m u - d obtains a kinetic energy of 45 eV, from which the atom will scatter and slow until the energy of the Ramsauer-Townsend minimum is reached and the hydrogen film becomes nearly transparent to μ - d. The Ramsauer-Townsend effect is also expected to show up for tritium in protium, which means a source of μ - t in vacuum should be possible

Electrochemical deposition of Prussian blue on hydrogen terminated silicon(111)

International Nuclear Information System (INIS)

Zhao Jianwei; Zhang Yan; Shi Chuanguo; Chen, Hongyuan; Tong Lianming; Zhu Tao; Liu Zhongfan

2006-01-01

Electrochemical deposition of Prussian blue (PB) was performed by cyclic voltammetry on hydrogen terminated n-type Si(111) surface. The characterization of the samples based on atomic force microscopy and X-ray diffraction spectroscopy showed a nanocrystal form of the PB films on the silicon surface. The thickness of PB films as a function of the potential cycling number was monitored simultaneously by Raman spectroscopy, proving that the growth of the films is in a good controllable manner

Hydrogen storage in TiCr1.2(FeV)x BCC solid solutions

International Nuclear Information System (INIS)

Santos, Sydney F.; Huot, Jacques

2009-01-01

The Ti-V-based BCC solid solutions have been considered attractive candidates for hydrogen storage due to their relatively large hydrogen absorbing capacities near room temperature. In spite of this, improvements of some issues should be achieved to allow the technological applications of these alloys. Higher reversible hydrogen storage capacity, decreasing the hysteresis of PCI curves, and decrease in the cost of the raw materials are needed. In the case of vanadium-rich BCC solid solutions, which usually have large hydrogen storage capacities, the search for raw materials with lower cost is mandatory since pure vanadium is quite expensive. Recently, the substitutions of vanadium in these alloys have been tried and some interesting results were achieved by replacing vanadium by commercial ferrovanadium (FeV) alloy. In the present work, this approach was also adopted and TiCr 1.2 (FeV) x alloy series was investigated. The XRD patterns showed the co-existence of a BCC solid solution and a C14 Laves phase in these alloys. SEM analysis showed the alloys consisted of dendritic microstructure and C14 colonies. The amount of C14 phase increases when the amount of (FeV) decreases in these alloys. Concerning the hydrogen storage, the best results were obtained for the TiCr 1.2 (FeV) 0.4 alloy, which achieved 2.79 mass% of hydrogen storage capacity and 1.36 mass% of reversible hydrogen storage capacity

Hydrogen and methane production from household solid waste in the two-stage fermentation process

DEFF Research Database (Denmark)

Lui, D.; Liu, D.; Zeng, Raymond Jianxiong

2006-01-01

A two-stage process combined hydrogen and methane production from household solid waste was demonstrated working successfully. The yield of 43 mL H-2/g volatile solid (VS) added was generated in the first hydrogen production stage and the methane production in the second stage was 500 mL CH4/g VS...... added. This figure was 21% higher than the methane yield from the one-stage process, which was run as control. Sparging of the hydrogen reactor with methane gas resulted in doubling of the hydrogen production. PH was observed as a key factor affecting fermentation pathway in hydrogen production stage....... Furthermore, this study also provided direct evidence in the dynamic fermentation process that, hydrogen production increase was reflected by acetate to butyrate ratio increase in liquid phase. (c) 2006 Elsevier Ltd. All rights reserved....

Matrix effect on hydrogen-atom tunneling of organic molecules in cryogenic solids

International Nuclear Information System (INIS)

Ichikawa, Tsuneki

2000-01-01

Although the tunneling of atoms through potential energy barriers separating the reactant and reaction systems is not paid much attention in organic reactions, this plays an important role in reactions including the transfer of light atoms. Atomic tunneling is especially important for chemical reactions at low temperatures, since the thermal activation of reactant systems is very slow process in comparison with the tunneling. One of the typical reactions of atomic tunneling is hydrogen-atom abstraction from alkanes in cryogenic solids exposed to high-energy radiation. Irradiation of alkane molecules causes the homolytic cleavage of C-H bonds, which results in the pairwise formation of free hydrogen atoms and organic free radicals. Since the activation energies for the abstraction of hydrogen atoms from alkane molecules by free hydrogen atoms are higher than 5 kcal/mol, the lifetime of free hydrogen atoms at 77 K is estimated from the Arrhenius equation of k=vexp(-E a /RT) to be longer than 10 hrs. However, except for solid methane, free hydrogen atoms immediately convert to alkyl radicals even at 4.2 K by hydrogen-atom tunneling from alkane molecules to the free hydrogen atoms. The rate of hydrogen atom tunneling does not necessary increase with decreasing activation energy or the peak height of the potential energy barrier preventing the tunneling. Although the activation energy is the lowest at the tertiary carbon of alkanes, hydrogen atom tunneling from branched alkanes with tertiary carbon at the antepenultimate position of the carbon skeleton is the fastest at the secondary penultimate carbon. Based on our experimental results, we have proposed that the peculiarity of the hydrogen-atom abstraction in cryogenic solids comes from the steric hindrance by matrix molecules to the deformation of alkane molecules from the initial sp 3 to the final sp 2 configurations. The steric hindrance causes the increase of the height of the potential energy barrier for the

Calculation of hydrogen diffusion toward a crack in a stressed solid

International Nuclear Information System (INIS)

1976-10-01

A set of eigensolutions is derived for use in expanding the steady-state concentration of hydrogen diffusing through a region bounded by two cylinders centred on an infinite crack in a stressed solid. Comparison is made with some experimental values of the hydrogen-induced crack-propagation velocity within the framework of the theory of Dutton and Puls. (author)

Hydrogen-induced delayed cracking: 1. Strain energy effects on hydrogen solubility

International Nuclear Information System (INIS)

Puls, M.P.

1978-08-01

Based on Li, Oriani and Darken's derivation of the chemical potential of a solute in a stressed solid and Eshelby's method for obtaining the strain energy of solids containing coherent inhomogeneous inclusions, we have carried out a detailed theoretical analysis of the factors governing hydrogen solubility in stressed and unstressed zirconium and its alloys. Specifically, the analysis demonstrates the strong influence hydride self-stresses may have on the terminal solid solubility of hydrogen in zirconium. The self-energy arises due to the misfit strains between matrix and precipitate. We have calculated the total molal self-strain energy of some commonly observed δ and γ-hydride shapes and orientations. The magnitude of this energy is substantial. Thus for γ-hydride plates lying on basal planes, it is 4912 J/mol, while for γ-hydride needles with the needle axis parallel to the directions of the α-zirconium matrix, it is 2662 J/mol. This self-strain energy causes a shift in the terminal solid solubility. For example, at 77 o C, assuming fully constrained basal plane δ-hydride plates, the terminal solid solubility is increased 5.4 times over the stress-free case. We have also calculated the effect of external stress on the terminal solid solubility. This is governed by the interaction energy arising from the interaction of the applied stresses with the precipitate's misfit strain components. The interaction energy has been calculated for δ and γ-hydride plates and needles, taking full account of the anisotropy of the misfit. The interaction energy is negative for tensile applied stresses and, as a result of the anisotropic misfit, is texture-dependent. Its magnitude is small for most applied stresses but can achieve values of the order of the self-strain energy in the plastic zone of a plane-strain crack. We have also carried out a careful analysis of the solubility data of Kearns and Erickson and Hardie. This analysis is based partly on the theoretical

Compact hydrogen production systems for solid polymer fuel cells

Science.gov (United States)

Ledjeff-Hey, K.; Formanski, V.; Kalk, Th.; Roes, J.

Generally there are several ways to produce hydrogen gas from carbonaceous fuels like natural gas, oil or alcohols. Most of these processes are designed for large-scale industrial production and are not suitable for a compact hydrogen production system (CHYPS) in the power range of 1 kW. In order to supply solid polymer fuel cells (SPFC) with hydrogen, a compact fuel processor is required for mobile applications. The produced hydrogen-rich gas has to have a low level of harmful impurities; in particular the carbon monoxide content has to be lower than 20 ppmv. Integrating the reaction step, the gas purification and the heat supply leads to small-scale hydrogen production systems. The steam reforming of methanol is feasible at copper catalysts in a low temperature range of 200-350°C. The combination of a small-scale methanol reformer and a metal membrane as purification step forms a compact system producing high-purity hydrogen. The generation of a SPFC hydrogen fuel gas can also be performed by thermal or catalytic cracking of liquid hydrocarbons such as propane. At a temperature of 900°C the decomposition of propane into carbon and hydrogen takes place. A fuel processor based on this simple concept produces a gas stream with a hydrogen content of more than 90 vol.% and without CO and CO2.

Pressure hydrogenation of solid carbonaceous material

Energy Technology Data Exchange (ETDEWEB)

Pier, M; Kroenig, W

1942-09-28

A process is described for the continuous pressure hydrogenation of solid, nonfusible carbonaceous material, such as coal, oil shale, or peat, in a pasted condition, characterized in that the charge is heated in a known way under pressure, together with water, nearly to the reaction temperature, then it is led into a pressure vessel, whose volume amounts to 20 to 40% of the usual reaction space without any change at the same temperature, and the charge then goes through the reaction vessel, after which its temperature is raised to the reaction height.

Sputtering of solid nitrogen and oxygen by keV hydrogen ions

DEFF Research Database (Denmark)

Ellegaard, O.; Schou, Jørgen; Stenum, B.

1994-01-01

Electronic sputtering of solid nitrogen and oxygen by keV hydrogen ions has been studied at two low-temperature setups. The yield of the sputtered particles has been determined in the energy regime 4-10 keV for H+, H-2+ and H-3+ ions. The yield for oxygen is more than a factor of two larger than...... that for nitrogen. The energy distributions of the sputtered N2 and O2 molecules were measured for hydrogen ions in this energy regime as well. The yields from both solids turn out to depend on the sum of the stopping power of all atoms in the ion. The yield increases as a quadratic function of the stopping power...

Performance Improvement of V-Fe-Cr-Ti Solid State Hydrogen Storage Materials in Impure Hydrogen Gas.

Science.gov (United States)

Ulmer, Ulrich; Oertel, Daria; Diemant, Thomas; Bonatto Minella, Christian; Bergfeldt, Thomas; Dittmeyer, Roland; Behm, R Jürgen; Fichtner, Maximilian

2018-01-17

Two approaches of engineering surface structures of V-Ti-based solid solution hydrogen storage alloys are presented, which enable improved tolerance toward gaseous oxygen (O 2 ) impurities in hydrogen (H 2 ) gas. Surface modification is achieved through engineering lanthanum (La)- or nickel (Ni)-rich surface layers with enhanced cyclic stability in an H 2 /O 2 mixture. The formation of a Ni-rich surface layer does not improve the cycling stability in H 2 /O 2 mixtures. Mischmetal (Mm, a mixture of La and Ce) agglomerates are observed within the bulk and surface of the alloy when small amounts of this material are added during arc melting synthesis. These agglomerates provide hydrogen-transparent diffusion pathways into the bulk of the V-Ti-Cr-Fe hydrogen storage alloy when the remaining oxidized surface is already nontransparent for hydrogen. Thus, the cycling stability of the alloy is improved in an O 2 -containing hydrogen environment as compared to the same alloy without addition of Mm. The obtained surface-engineered storage material still absorbs hydrogen after 20 cycles in a hydrogen-oxygen mixture, while the original material is already deactivated after 4 cycles.

Active Edge Sites Engineering in Nickel Cobalt Selenide Solid Solutions for Highly Efficient Hydrogen Evolution

KAUST Repository

Xia, Chuan

2017-01-06

An effective multifaceted strategy is demonstrated to increase active edge site concentration in NiCoSe solid solutions prepared by in situ selenization process of nickel cobalt precursor. The simultaneous control of surface, phase, and morphology result in as-prepared ternary solid solution with extremely high electrochemically active surface area (C = 197 mF cm), suggesting significant exposure of active sites in this ternary compound. Coupled with metallic-like electrical conductivity and lower free energy for atomic hydrogen adsorption in NiCoSe, identified by temperature-dependent conductivities and density functional theory calculations, the authors have achieved unprecedented fast hydrogen evolution kinetics, approaching that of Pt. Specifically, the NiCoSe solid solutions show a low overpotential of 65 mV at -10 mV cm, with onset potential of mere 18 mV, an impressive small Tafel slope of 35 mV dec, and a large exchange current density of 184 μA cm in acidic electrolyte. Further, it is shown that the as-prepared NiCoSe solid solution not only works very well in acidic electrolyte but also delivers exceptional hydrogen evolution reaction (HER) performance in alkaline media. The outstanding HER performance makes this solid solution a promising candidate for mass hydrogen production.

Anomalous ortho-para conversion of solid hydrogen in constrained geometries

International Nuclear Information System (INIS)

Rall, M.; Brison, J.P.; Sullivan, N.S.

1991-01-01

Using cw NMR techniques, we have measured the ortho-para conversion of solid hydrogen constrained to the interior of the molecular cages of zeolite. The conversion observed in the constrained geometry is very different from that of bulk solid hydrogen. Two distinct conversion rates were observed for short and long times. An apparently bimolecular conversion rate of 0.43% h -1 (one-fourth of the bulk value) dominates during the first 500 h, and the rate then increases to 2.2% h -1 . The initial slow rate is explained in terms of a reduced number of nearest neighbors and possible wall effects, and the fast rate is attributed to the formation of small ortho-H 2 Rclusters at later times. Surface effects due to magnetic impurities do not appear to determine the conversion rate in the samples studied

Characterization of 109 Ah Ni-MH batteries charging with hydrogen sensing termination

Science.gov (United States)

Viera, J. C.; González, M.; Liaw, B. Y.; Ferrero, F. J.; Álvarez, J. C.; Campo, J. C.; Blanco, C.

The use of Ni-MH batteries for traction applications in electric and hybrid vehicles is increasingly attractive and reliable. Besides the energy and power handling, and the cost issues, high tolerance to abuse is an important aspect of the Ni-MH technology. Thus, the ability to reduce charging time and to absorb regenerative breaking is highly desirable in these traction applications. This requires an accurate control of the charge termination. To facilitate an easy and reliable charging control and to avoid battery premature failure or ageing it is very important to know the behavior of the battery under a range of charging conditions. In this paper, we described the performance of high capacity commercial Ni-MH traction batteries (12 V, 109 Ah modules) when subjected to different charging rates (0.1, 0.2, 0.5, and 1.0 C) from 100% depth of discharge (DOD). Changes in battery voltage and temperature during charging were monitored, with a particular emphasis on the detection of the presence of hydrogen near the battery. This unique hydrogen detection outside the battery was used as the method for the end-of-charge termination to prevent overcharging of the battery. Relevant parameters, such as charge acceptance, energy efficiency, and charging time, were analyzed for comparison.

Hydrogen and deuterium NMR of solids by magic-angle spinning

International Nuclear Information System (INIS)

Eckman, R.R.

1982-10-01

The nuclear magnetic resonance of solids has long been characterized by very large specral broadening which arises from internuclear dipole-dipole coupling or the nuclear electric quadrupole interaction. These couplings can obscure the smaller chemical shift interaction and make that information unavailable. Two important and difficult cases are that of hydrogen and deuterium. The development of cross polarization, heteronuclear radiofrequency decoupling, and coherent averaging of nuclear spin interactions has provided measurement of chemical shift tensors in solids. Recently, double quantum NMR and double quantum decoupling have led to measurement of deuterium and proton chemical shift tensors, respectively. A general problem of these experiments is the overlapping of the tensor powder pattern spectra of magnetically distinct sites which cannot be resolved. In this work, high resolution NMR of hydrogen and deuterium in solids is demonstrated. For both nuclei, the resonances are narrowed to obtain liquid-like isotropic spectra by high frequency rotation of the sample about an axis inclined at the magic angle, β/sub m/ = Arccos (3/sup -1/2/), with respect to the direction of the external magnetic field. For deuterium, the powder spectra were narrowed by over three orders of magnitude by magic angle rotation with precise control of β. A second approach was the observation of deuterium double quantum transitions under magic angle rotation. For hydrogen, magic angle rotation alone could be applied to obtain the isotropic spectrum when H/sub D/ was small. This often occurs naturally when the nuclei are semi-dilute or involved in internal motion. In the general case of large H/sub D/, isotropic spectra were obtained by dilution of 1 H with 2 H combined with magic angle rotation. The resolution obtained represents the practical limit for proton NMR of solids

Phonons in Solid Hydrogen and Deuterium Studied by Inelastic Coherent Neutron Scattering

DEFF Research Database (Denmark)

Nielsen, Mourits

1973-01-01

Phonon dispersion relations have been measured by coherent neutron scattering in solid para-hydrogen and ortho-deuterium. The phonon energies are found to be nearly equal in the two solids, the highest energy in each case lying close to 10 meV. The pressure and temperature dependence of the phonon...... energies have been measured in ortho-deuterium and the lattice change determined by neutron diffraction. When a pressure of 275 bar is applied, the phonon energies are increased by about 10%, and heating the crystal to near the melting point decreases them by about 7%. The densities of states, the specific...... heats, and the Debye temperatures have been deduced and found to be in agreement with the published experimental results. The Debye temperatures are 118 K for hydrogen and 114 K for deuterium. For hydrogen the Debye-Waller factor has been measured by incoherent neutron scattering and it corresponds...

A pyrolysis/gas chromatographic method for the determination of hydrogen in solid samples

Science.gov (United States)

Carr, R. H.; Bustin, R.; Gibson, E. K.

1987-01-01

A method is described for the determination of hydrogen in solid samples. The sample is heated under vacuum after which the evolved gases are separated by gas chromatography with a helium ionization detector. The system is calibrated by injecting known amounts of hydrogen, as determined manometrically. The method, which is rapid and reliable, was checked for a variety of lunar soils; the limit of detection is about 10 ng of hydrogen.

Interactions of solid and liquid lithium with steady state hydrogen and helium plasmas

International Nuclear Information System (INIS)

Hirooka, Y.; Nishikawa, M.; Ohgaki, H.; Ohtsuka, Y.

2005-01-01

A variety of innovative Plasma-Facing Component (PFC) concepts, employing moving solid or liquid surfaces, have recently been proposed in order to resolve technical issues, associated with the applications of currently used PFCs in future steady state fusion devices. As the first step to evaluate the concept using flowing-liquids for PFCs, steady state hydrogen and helium plasma interactions with solid and standing liquid lithium have been investigated in the present work, using the H α and He-I spectroscopy at the ion bombarding energies up to 150eV and at the lithium temperatures between room temperature and 480 deg C. Data indicate that hydrogen recycling over liquid lithium is clearly reduced, relative to that over solid lithium, whereas helium recycling does not show the same trend. From the kinetic analysis of these recycling time constant data, the activation energies for the overall recycling processes have been evaluated to be 0.02±0.01eV, both for hydrogen and helium plasmas. Also, it has been found that the activation energy is nearly independent of ion bombarding energy. (author)

Current Development in Treatment and Hydrogen Energy Conversion of Organic Solid Waste

Science.gov (United States)

Shin, Hang-Sik

2008-02-01

This manuscript summarized current developments on continuous hydrogen production technologies researched in Korea advanced institute of science and technology (KAIST). Long-term continuous pilot-scale operation of hydrogen producing processes fed with non-sterile food waste exhibited successful results. Experimental findings obtained by the optimization processes of growth environments for hydrogen producing bacteria, the development of high-rate hydrogen producing strategies, and the feasibility tests for real field application could contribute to the progress of fermentative hydrogen production technologies. Three major technologies such as controlling dilution rate depending on the progress of acidogenesis, maintaining solid retention time independently from hydraulic retention time, and decreasing hydrogen partial pressure by carbon dioxide sparging could enhance hydrogen production using anaerobic leaching beds reactors and anaerobic sequencing batch reactors. These findings could contribute to stable, reliable and effective performances of pilot-scale reactors treating organic wastes.

Complex Metal Hydrides for hydrogen storage and solid-state ion conductors

DEFF Research Database (Denmark)

Payandeh GharibDoust, SeyedHosein

and electricity in batteries. However, both hydrogen and electricity must be stored in a very dense way to be useful, e.g. for mobile applications. Complex metal hydrides have high hydrogen density and have been studied during the past twenty years in hydrogen storage systems. Moreover, they have shown high ionic...... conductivities which promote their application as solid electrolytes in batteries. This dissertation presents the synthesis and characterization of a variety of complex metal hydrides and explores their hydrogen storage properties and ionic conductivity. Five halide free rare earth borohydrides RE(BH4)3, (RE...... = La, Ce, Pr, Nd, Er) have been synthesized, which pave the way for studying the polymorphic transition in these compounds, obtaining new bimetallic borohydrides and designing new reactive hydride composites with improved hydrogen storage capacities. Two novel polymorphs of Pr(BH4)3 are identified...

ESR study on hydrogen-atom abstraction in cryogenic organic solids

International Nuclear Information System (INIS)

Ichikawa, Tsuneki

1995-01-01

The present paper summarizes our recent results on the hydrogen-atom abstraction from protiated alkane molecule by deuterium atoms in cryogenic deuterated organic solids, obtained by the X-band ESR and electron spin-echo measurements of the product alkyl radicals at cryogenic temperatures. (J.P.N.)

Hydrogen production by gasification of municipal solid waste

Energy Technology Data Exchange (ETDEWEB)

Rogers, R. III

1994-05-20

As fossil fuel reserves run lower and lower, and as their continued widespread use leads toward numerous environmental problems, the need for clean and sustainable energy alternatives becomes ever clearer. Hydrogen fuel holds promise as such as energy source, as it burns cleanly and can be extracted from a number of renewable materials such as municipal solid waste (MSW), which can be considered largely renewable because of its high content of paper and biomass-derived products. A computer model is being developed using ASPEN Plus flow sheeting software to simulate a process which produces hydrogen gas from MSW; the model will later be used in studying the economics of this process and is based on an actual Texaco coal gasification plant design. This paper gives an overview of the complete MSW gasification process, and describes in detail the way in which MSW is modeled by the computer as a process material. In addition, details of the gasifier unit model are described; in this unit modified MSW reacts under pressure with oxygen and steam to form a mixture of gases which include hydrogen.

Feasibility of solid oxide fuel cell dynamic hydrogen coproduction to meet building demand

Science.gov (United States)

Shaffer, Brendan; Brouwer, Jacob

2014-02-01

A dynamic internal reforming-solid oxide fuel cell system model is developed and used to simulate the coproduction of electricity and hydrogen while meeting the measured dynamic load of a typical southern California commercial building. The simulated direct internal reforming-solid oxide fuel cell (DIR-SOFC) system is controlled to become an electrical load following device that well follows the measured building load data (3-s resolution). The feasibility of the DIR-SOFC system to meet the dynamic building demand while co-producing hydrogen is demonstrated. The resulting thermal responses of the system to the electrical load dynamics as well as those dynamics associated with the filling of a hydrogen collection tank are investigated. The DIR-SOFC system model also allows for resolution of the fuel cell species and temperature distributions during these dynamics since thermal gradients are a concern for DIR-SOFC.

Solid State NMR Characterization of Complex Metal Hydrides systems for Hydrogen Storage Applications

Directory of Open Access Journals (Sweden)

Son-Jong Hwang

2011-12-01

Full Text Available Solid state NMR is widely applied in studies of solid state chemistries for hydrogen storage reactions. Use of 11B MAS NMR in studies of metal borohydrides (BH4 is mainly focused, revisiting the issue of dodecaborane formation and observation of 11B{1H} Nuclear Overhauser Effect.

Hydrogen evolution from water using solid carbon and light energy

Energy Technology Data Exchange (ETDEWEB)

Kawai, T; Sakata, T

1979-11-15

Hydrogen is produced from water vapour and solid carbon when mixed powders of TiO2, RuO2 and active carbon exposed to water vapor at room temperature, or up to 80 C, are illuminated. At 80 C, the rate of CO and COat2 formation increased. Therefore solar energy would be useful here as a combination of light energy and heat energy. Oxygen produced on the surface of the photocatalyst has a strong oxidising effect on the carbon. It is suggested that this process could be used for coal gasification and hydrogen production from water, accompanied by storage of solar energy.

Modeling of hydrogen/deuterium dynamics and heat generation on palladium nanoparticles for hydrogen storage and solid-state nuclear fusion.

Science.gov (United States)

Tanabe, Katsuaki

2016-01-01

We modeled the dynamics of hydrogen and deuterium adsorbed on palladium nanoparticles including the heat generation induced by the chemical adsorption and desorption, as well as palladium-catalyzed reactions. Our calculations based on the proposed model reproduce the experimental time-evolution of pressure and temperature with a single set of fitting parameters for hydrogen and deuterium injection. The model we generated with a highly generalized set of formulations can be applied for any combination of a gas species and a catalytic adsorbent/absorbent. Our model can be used as a basis for future research into hydrogen storage and solid-state nuclear fusion technologies.

Kelvin probe force microscopy studies of the charge effects upon adsorption of carbon nanotubes and C60 fullerenes on hydrogen-terminated diamond

Science.gov (United States)

Kölsch, S.; Fritz, F.; Fenner, M. A.; Kurch, S.; Wöhrl, N.; Mayne, A. J.; Dujardin, G.; Meyer, C.

2018-01-01

Hydrogen-terminated diamond is known for its unusually high surface conductivity that is ascribed to its negative electron affinity. In the presence of acceptor molecules, electrons are expected to transfer from the surface to the acceptor, resulting in p-type surface conductivity. Here, we present Kelvin probe force microscopy (KPFM) measurements on carbon nanotubes and C60 adsorbed onto a hydrogen-terminated diamond(001) surface. A clear reduction in the Kelvin signal is observed at the position of the carbon nanotubes and C60 molecules as compared with the bare, air-exposed surface. This result can be explained by the high positive electron affinity of carbon nanotubes and C60, resulting in electron transfer from the surface to the adsorbates. When an oxygen-terminated diamond(001) is used instead, no reduction in the Kelvin signal is obtained. While the presence of a charged adsorbate or a difference in work function could induce a change in the KPFM signal, a charge transfer effect of the hydrogen-terminated diamond surface, by the adsorption of the carbon nanotubes and the C60 fullerenes, is consistent with previous theoretical studies.

Ab initio study of structural and mechanical property of solid molecular hydrogens

Science.gov (United States)

Ye, Yingting; Yang, Li; Yang, Tianle; Nie, Jinlan; Peng, Shuming; Long, Xinggui; Zu, Xiaotao; Du, Jincheng

2015-06-01

Ab initio calculations based on density functional theory (DFT) were performed to investigate the structural and the elastic properties of solid molecular hydrogens (H2). The influence of molecular axes of H2 on structural relative stabilities of hexagonal close-packed (hcp) and face-centered cubic (fcc) structured hydrogen molecular crystals were systematically investigated. Our results indicate that for hcp structures, disordered hydrogen molecule structure is more stable, while for fcc structures, Pa3 hydrogen molecular crystal is most stable. The cohesive energy of fcc H2 crystal was found to be lower than hcp. The mechanical properties of fcc and hcp hydrogen molecular crystals were obtained, with results consistent with previous theoretical calculations. In addition, the effects of zero point energy (ZPE) and van der Waals (vdW) correction on the cohesive energy and the stability of hydrogen molecular crystals were systematically studied and discussed.

Solid oxide fuel cells and hydrogen production

International Nuclear Information System (INIS)

Dogan, F.

2009-01-01

'Full text': A single-chamber solid oxide fuel cell (SC-SOFC), operating in a mixture of fuel and oxidant gases, provides several advantages over the conventional SOFC such as simplified cell structure (no sealing required). SC-SOFC allows using a variety of fuels without carbon deposition by selecting appropriate electrode materials and cell operating conditions. The operating conditions of single chamber SOFC was studied using hydrocarbon-air gas mixtures for a cell composed of NiO-YSZ / YSZ / LSCF-Ag. The cell performance and catalytic activity of the anode was measured at various gas flow rates. The results showed that the open-circuit voltage and the power density increased as the gas flow rate increased. Relatively high power densities up to 660 mW/cm 2 were obtained in a SC-SOFC using porous YSZ electrolytes instead of dense electrolytes required for operation of a double chamber SOFC. In addition to propane- or methane-air mixtures as a fuel source, the cells were also tested in a double chamber configuration using hydrogen-air mixtures by controlling the hydrogen/air ratio at the cathode and the anode. Simulation of single chamber conditions in double chamber configurations allows distinguishing and better understanding of the electrode reactions in the presence of mixed gases. Recent research efforts; the effect of hydrogen-air mixtures as a fuel source on the performance of anode and cathode materials in single-chamber and double-chamber SOFC configurations,will be presented. The presentation will address a review on hydrogen production by utilizing of reversible SOFC systems. (author)

Hydrogen production through high-temperature electrolysis in a solid oxide cell

International Nuclear Information System (INIS)

Herring, J.St.; Lessing, P.; O'Brien, J.E.; Stoots, C.; Hartvigsen, J.; Elangovan, S.

2004-01-01

An experimental research programme is being conducted by the INEEL and Ceramatec, Inc., to test the high-temperature, electrolytic production of hydrogen from steam using a solid oxide cell. The research team is designing and testing solid oxide cells for operation in the electrolysis mode, producing hydrogen rising a high-temperature heat and electrical energy. The high-temperature heat and the electrical power would be supplied simultaneously by a high-temperature nuclear reactor. Operation at high temperature reduces the electrical energy requirement for electrolysis and also increases the thermal efficiency of the power-generating cycle. The high-temperature electrolysis process will utilize heat from a specialized secondary loop carrying a steam/hydrogen mixture. It is expected that, through the combination of a high-temperature reactor and high-temperature electrolysis, the process will achieve an overall thermal conversion efficiency of 40 to 50%o while avoiding the challenging chemistry and corrosion issues associated with the thermochemical processes. Planar solid oxide cell technology is being utilised because it has the best potential for high efficiency due to minimized voltage and current losses. These losses also decrease with increasing temperature. Initial testing has determined the performance of single 'button' cells. Subsequent testing will investigate the performance of multiple-cell stacks operating in the electrolysis mode. Testing is being performed both at Ceramatec and at INEEL. The first cells to be tested were single cells based on existing materials and fabrication technology developed at Ceramatec for production of solid oxide fuel cells. These cells use a relatively thick (∼ 175 μm) electrolyte of yttria- or scandia-stabilised zirconia, with nickel-zirconia cermet anodes and strontium-doped lanthanum manganite cathodes. Additional custom cells with lanthanum gallate electrolyte have been developed and tested. Results to date have

Anisotropic intermolecular interaction and rotational ordering in hydrogen-containing solids. Progress report No. 12

Energy Technology Data Exchange (ETDEWEB)

1976-01-01

Progress is reviewed in these areas: nuclear spin-lattice relaxation in ortho-para mixtures of solid deuterium below T/sub lambda/; pulsed NMR experiments of matrix isolated HCl; stimulated Raman scattering in solid hydrogen and nitrogen; and infrared line broadening of matrix isolated molecules. (GHT)

Anisotropic intermolecular interaction and rotational ordering in hydrogen-containing solids. Progress report No. 12

International Nuclear Information System (INIS)

1976-01-01

Progress is reviewed in these areas: nuclear spin-lattice relaxation in ortho-para mixtures of solid deuterium below T/sub lambda/; pulsed NMR experiments of matrix isolated HCl; stimulated Raman scattering in solid hydrogen and nitrogen; and infrared line broadening of matrix isolated molecules

Experimental investigation of solid hydrogen pellet ablation in high-temperature plasmas using holographic interferometry and other diagnostics

International Nuclear Information System (INIS)

Thomas, C.E. Jr.

1981-03-01

The technology currently most favored for the refueling of fusion reactors is the high-velocity injection of solid hydrogen pellets. Design details are presented for a holographic interferometer/shadowgraph used to study the microscopic characteristics of a solid hydrogen pellet ablating in an approx. 1-keV plasma. Experimental data are presented for two sets of experiments in which the interferometer/shadowgraph was used to study approx. 1-mm-diam solid hydrogen pellets injected into the Impurity Study Experiment (ISX-B) tokamak at Oak Ridge National Laboratory (ORNL) at velocities of 1000 m/s. In addition to the use of the holographic interferometer, the pellet ablation process is diagnosed by studying the emission of Balmer-alpha photons and by using the available tokamak diagnostics

Non-equilibrium hydrogen exchange for determination of H-bond strength and water accessibility in solid proteins.

Science.gov (United States)

Grohe, Kristof; Movellan, Kumar Tekwani; Vasa, Suresh Kumar; Giller, Karin; Becker, Stefan; Linser, Rasmus

2017-05-01

We demonstrate measurement of non-equilibrium backbone amide hydrogen-deuterium exchange rates (HDX) for solid proteins. The target of this study are the slowly exchanging residues in solid samples, which are associated with stable secondary-structural elements of proteins. These hydrogen exchange processes escape methods measuring equilibrium exchange rates of faster processes. The method was applied to a micro-crystalline preparation of the SH3 domain of chicken α-spectrin. Therefore, from a 100% back-exchanged micro-crystalline protein preparation, the supernatant buffer was exchanged by a partially deuterated buffer to reach a final protonation level of approximately 20% before packing the sample in a 1.3 mm rotor. Tracking of the HN peak intensities for 2 weeks reports on site-specific hydrogen bond strength and also likely reflects water accessibility in a qualitative manner. H/D exchange can be directly determined for hydrogen-bonded amides using 1 H detection under fast magic angle spinning. This approach complements existing methods and provides the means to elucidate interesting site-specific characteristics for protein functionality in the solid state.

Secondary Electron Emission from Solid Hydrogen and Deuterium Resulting from Incidence of keV Electrons and Hydrogen Ions

DEFF Research Database (Denmark)

Sørensen, H.

1977-01-01

are small, in contrast to what is expected for insulating materials. One explanation is that the secondary electrons lose energy inside the target material by exciting vibrational and rotational states of the molecules, so that the number of electrons that may escape as secondary electrons is rather small....... The losses to molecular states will be largest for hydrogen, so that the SEE coefficients are smallest for solid hydrogen, as was observed. For the incidence of ions, the values of δ for the different molecular ions agree when the number of secondary electrons per incident atom is plotted versus the velocity...... or the stopping power of the incident particles. Measurements were also made for oblique incidence of H+ ions on solid deuterium for angles of incidence up to 75°. A correction could be made for the emission of secondary ions by also measuring the current calorimetrically. At largest energies, the angular...

Modeling of hydrogen/deuterium dynamics and heat generation on palladium nanoparticles for hydrogen storage and solid-state nuclear fusion

Directory of Open Access Journals (Sweden)

Katsuaki Tanabe

2016-01-01

Full Text Available We modeled the dynamics of hydrogen and deuterium adsorbed on palladium nanoparticles including the heat generation induced by the chemical adsorption and desorption, as well as palladium-catalyzed reactions. Our calculations based on the proposed model reproduce the experimental time-evolution of pressure and temperature with a single set of fitting parameters for hydrogen and deuterium injection. The model we generated with a highly generalized set of formulations can be applied for any combination of a gas species and a catalytic adsorbent/absorbent. Our model can be used as a basis for future research into hydrogen storage and solid-state nuclear fusion technologies.

The hydrogen state: from the solid to the gas taking into account the liquid; L'hydrogene dans tous ses etats: du solide au gaz en passant par le liquide

Energy Technology Data Exchange (ETDEWEB)

Latroche, M.; Joubert, J.M.; Cuevas, F.; Paul-Boncour, V.; Percheron-Guegan, A. [Centre National de la Recherche Scientifique (CNRS), Institut de Chimie et des Materiaux Paris-Est (CMTR-ICMPE-UMR7182), 94 - Thiais (France)

2007-07-01

Hydrogen is considered as a future energy vector. To become a viable solution, the hydrogen storage processes must be safe, economic and adapted to the use possibilities. Today many storage modes offer interesting possibilities but need also more researches before realization of prototypes. These modes are described taking into account the physical (compression, liquefaction) and chemical (adsorption in porous solids and absorption in chemical hydrides) solutions. (A.L.B.)

Vibration-rotational overtones absorption of solid hydrogens using optoacoustic spectroscopy technique

International Nuclear Information System (INIS)

Vieira, M.M.F.

1985-01-01

Vibrational-rotational overtones absorption solid hydrogens (H 2 , D 2 , HD) is studied using pulsed laser piezoeletric transducer (PULPIT) optoacoustic spectroscopy is studied. A general downward shift in energy from isolated molecular energies is observed. Studying normal-hydrogen it was observed that the phonon excitations associated with double-molecular transitions are predominantly transverse-optical phonons, whereas the excitations associated with single-molecular transitions are predominantly longitudinal - optical phonons. Multiplet structures were observed for certain double transitions in parahydrogen and orthodeuterium. The HD spectrum, besides presenting the sharp zero-phonon lines and the associated phonon side bands, like H 2 and D 2 , showed also two different features. This observation was common to all the transitions involving pure rotational excitation in H 2 and D 2 , which showed broad linewidths. This, together with some other facts (fluorescence lifetime *approx*10 5 sec; weak internal vibration and lattice coupling), led to the proposition of a mechanism for the fast nonradiative relaxation in solid hydrogens, implied from some observed experimental evidences. This relaxation, due to strong coupling, would happen in two steps: the internal vibration modes would relax to the rotational modes of the molecules, and then this rotational modes would relax to the lattice vibration modes. (Author) [pt

The high pressure equation of state of the isotopes of solid hydrogen and helium

International Nuclear Information System (INIS)

Driessen, A.

1982-01-01

The initial aim of this thesis was to provide the high pressure equipment and the knowledge about the equation of state (EOS) necessary for a research program in a laboratory dealing with spectroscopy of solid hydrogen under high pressure. Once this first goal was reached, a logical step was to extend the work on the EOS to all three hydrogen isotopes and later also to the helium isotpes. During the experiments on the EOS of hydrogen, the effects of the concentration C 1 of the rotationally excited molecules provoked interest, resulting in an extensive experimental and theoretical study. Chapter I describes the results and experience with high pressure equipment for hydrogen up to 7 kbar and chapter II gives a short general introduction to the calculation of the EOS by introducing the Mie-Grueneisen picture and the Silvera-Goldman (SG) potential for hydrogen. Chapter III gives the results of the first EOS of H 2 and D 2 and chapter IV gives a prediction of the EOS of solid T 2 with aid of the SG potential and the experimental results of H 2 and D 2 . Chapter V presents calculations on the thermal expansion of the hydrogen isotopes, which are compared with direct experiments and chapter VI deals in detail with the influence of C 1 on the EOS of H 2 . Ortho-para conversion in hydrogen is considered in chapter VII, and chapter VIII describes experiments on 4 He. (Auth.)

Life Time Performance Characterization of Solid Oxide Electrolysis Cells for Hydrogen Production

DEFF Research Database (Denmark)

Sun, Xiufu; Chen, Ming; Liu, Yi-Lin

2015-01-01

Solid oxide electrolysis cells (SOECs) offer a promising technological solution for efficient energy conversion and production of hydrogen or syngas. The commercialization of the SOEC technology can be promoted if SOECs can be operated at high current density with stable performance over ~5 years...... - 3 years (continuous operation, setting 1.5 V as the upper voltage defining “end of life”). The results provide technological input to future design of electrolysis plants for hydrogen production. © 2015 ECS - The Electrochemical Society...

Ion-induced emission of charged particles from solid hydrogen and deuterium

International Nuclear Information System (INIS)

Borgesen, P.; Schou, J.; Sorensen, H.

1980-01-01

Measurements have been made of the emission of both positive and negative particles from solid hydrogen and deuterium for normal incidence of H + , H + 2 , H + 3 , D 2 H + , D + 3 and He + ions up to 10 keV. For positive particles the emission coefficient increased with increasing energy of incidence to reach a value of 0.08 per atom for 10 keV H + onto hydrogen. Apparently the positive particles are sputtered ones. The negative particles emitted are predominantly electrons. The emission coefficient per incident atom as a function of the velocity of the incident particle agress fairly well with results published earlier for incidence of hydrogen and deuterium ions. However, systematic differences of up to 10% are now observed between the coefficients for the different types of ions. (orig.)

Hydrogen intercalation of single and multiple layer graphene synthesized on Si-terminated SiC(0001) surface

International Nuclear Information System (INIS)

Sołtys, Jakub; Piechota, Jacek; Ptasinska, Maria; Krukowski, Stanisław

2014-01-01

Ab initio density functional theory simulations were used to investigate the influence of hydrogen intercalation on the electronic properties of single and multiple graphene layers deposited on the SiC(0001) surface (Si-face). It is shown that single carbon layer, known as a buffer layer, covalently bound to the SiC substrate, is liberated after hydrogen intercalation, showing characteristic Dirac cones in the band structure. This is in agreement with the results of angle resolved photoelectron spectroscopy measurements of hydrogen intercalation of SiC-graphene samples. In contrast to that hydrogen intercalation has limited impact on the multiple sheet graphene, deposited on Si-terminated SiC surface. The covalently bound buffer layer is liberated attaining its graphene like structure and dispersion relation typical for multilayer graphene. Nevertheless, before and after intercalation, the four layer graphene preserved the following dispersion relations in the vicinity of K point: linear for (AAAA) stacking, direct parabolic for Bernal (ABAB) stacking and “wizard hat” parabolic for rhombohedral (ABCA) stacking

Hydrogen charging, hydrogen content analysis and metallographic examination of hydride in zirconium alloys

International Nuclear Information System (INIS)

Singh, R.N.; Kishore, R.; Mukherjee, S.; Roychowdhury, S.; Srivastava, D.; Sinha, T.K.; De, P.K.; Banerjee, S.; Gopalan, B.; Kameswaran, R.; Sheelvantra, Smita S.

2003-12-01

Gaseous and electrolytic hydrogen charging techniques for introducing controlled amount of hydrogen in zirconium alloy is described. Zr-1wt%Nb fuel tube, zircaloy-2 pressure tube and Zr-2.5Nb pressure tube samples were charged with up to 1000 ppm of hydrogen by weight using one of the aforementioned methods. These hydrogen charged Zr-alloy samples were analyzed for estimating the total hydrogen content using inert gas fusion technique. Influence of sample surface preparation on the estimated hydrogen content is also discussed. In zirconium alloys, hydrogen in excess of the terminal solid solubility precipitates out as brittle hydride phase, which acquire platelet shaped morphology due to its accommodation in the matrix and can make the host matrix brittle. The F N number, which represents susceptibility of Zr-alloy tubes to hydride embrittlement was measured from the metallographs. The volume fraction of the hydride phase, platelet size, distribution, interplatelet spacing and orientation were examined metallographically using samples sliced along the radial-axial and radial-circumferential plane of the tubes. It was observed that hydride platelet length increases with increase in hydrogen content. Considering the metallographs generated by Materials Science Division as standard, metallographs prepared by the IAEA round robin participants for different hydrogen concentration was compared. It is felt that hydride micrographs can be used to estimate not only that approximate hydrogen concentration of the sample but also its size, distribution and orientation which significantly affect the susceptibility to hydride embrittlement of these alloys. (author)

NO ICE HYDROGENATION: A SOLID PATHWAY TO NH2OH FORMATION IN SPACE

International Nuclear Information System (INIS)

Congiu, Emanuele; Dulieu, François; Chaabouni, Henda; Baouche, Saoud; Lemaire, Jean Louis; Fedoseev, Gleb; Ioppolo, Sergio; Lamberts, Thanja; Linnartz, Harold; Laffon, Carine; Parent, Philippe; Cuppen, Herma M.

2012-01-01

Icy dust grains in space act as catalytic surfaces onto which complex molecules form. These molecules are synthesized through exothermic reactions from precursor radicals and, mostly, hydrogen atom additions. Among the resulting products are species of biological relevance, such as hydroxylamine—NH 2 OH—a precursor molecule in the formation of amino acids. In this Letter, laboratory experiments are described that demonstrate NH 2 OH formation in interstellar ice analogs for astronomically relevant temperatures via successive hydrogenation reactions of solid nitric oxide (NO). Inclusion of the experimental results in an astrochemical gas-grain model proves the importance of a solid-state NO+H reaction channel as a starting point for prebiotic species in dark interstellar clouds and adds a new perspective to the way molecules of biological importance may form in space.

Near-infrared analysis of hydrogen-bonding in glass- and rubber-state amorphous saccharide solids.

Science.gov (United States)

Izutsu, Ken-ichi; Hiyama, Yukio; Yomota, Chikako; Kawanishi, Toru

2009-01-01

Near-infrared (NIR) spectroscopic analysis of noncrystalline polyols and saccharides (e.g., glycerol, sorbitol, maltitol, glucose, sucrose, maltose) was performed at different temperatures (30-80 degrees C) to elucidate the effect of glass transition on molecular interaction. Transmission NIR spectra (4,000-12,000 cm(-1)) of the liquids and cooled-melt amorphous solids showed broad absorption bands that indicate random configuration of molecules. Heating of the samples decreased an intermolecular hydrogen-bonding OH vibration band intensity (6,200-6,500 cm(-1)) with a concomitant increase in a free and intramolecular hydrogen-bonding OH group band (6,600-7,100 cm(-1)). Large reduction of the intermolecular hydrogen-bonding band intensity at temperatures above the glass transition (T(g)) of the individual solids should explain the higher molecular mobility and lower viscosity in the rubber state. Mixing of the polyols with a high T(g) saccharide (maltose) or an inorganic salt (sodium tetraborate) shifted both the glass transition and the inflection point of the hydrogen-bonding band intensity to higher temperatures. The implications of these results for pharmaceutical formulation design and process monitoring (PAT) are discussed.

A method of estimating hydrogen in solid and liquid samples by means of neutron thermalisation

International Nuclear Information System (INIS)

Carter, D.H.; Sanders, J.E.

1967-06-01

The count-rate of a cadmium-covered Pu239 fission chamber placed in a reactor neutron flux increases when a hydrogen-containing material is inserted due to the thermalisation of epicadmium neutrons. This effect forms the basis of a non-destructive method of estimating hydrogen in solid or liquid samples, and trial experiments to demonstrate the principles have been made. The sensitivity is such that hydrogen down to 10 p.p.m. in a typical metal should be detected. A useful feature of the method is its very low response to elements other than hydrogen. (author)

Ionic liquid and solid HF equivalent amine-poly(hydrogen fluoride) complexes effecting efficient environmentally friendly isobutane-isobutylene alkylation.

Science.gov (United States)

Olah, George A; Mathew, Thomas; Goeppert, Alain; Török, Béla; Bucsi, Imre; Li, Xing-Ya; Wang, Qi; Marinez, Eric R; Batamack, Patrice; Aniszfeld, Robert; Prakash, G K Surya

2005-04-27

Isoparaffin-olefin alkylation was investigated using liquid as well as solid onium poly(hydrogen fluoride) catalysts. These new immobilized anhydrous HF catalysts contain varied amines and nitrogen-containing polymers as complexing agents. The liquid poly(hydrogen fluoride) complexes of amines are typical ionic liquids, which are convenient media and serve as HF equivalent catalysts with decreased volatility for isoparaffin-olefin alkylation. Polymeric solid amine:poly(hydrogen fluoride) complexes are excellent solid HF equivalents for similar alkylation acid catalysis. Isobutane-isobutylene or 2-butene alkylation gave excellent yields of high octane alkylates (up to RON = 94). Apart from their excellent catalytic performance, the new catalyst systems significantly reduce environmental hazards due to the low volatility of complexed HF. They represent a new, "green" class of catalyst systems for alkylation reactions, maintaining activity of HF while minimizing its environmental hazards.

Communication: Dynamical and structural analyses of solid hydrogen under vapor pressure

Energy Technology Data Exchange (ETDEWEB)

Hyeon-Deuk, Kim, E-mail: kim@kuchem.kyoto-u.ac.jp [Department of Chemistry, Kyoto University, Kyoto 606-8502 (Japan); Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Ando, Koji [Department of Chemistry, Kyoto University, Kyoto 606-8502 (Japan)

2015-11-07

Nuclear quantum effects play a dominant role in determining the phase diagram of H{sub 2}. With a recently developed quantum molecular dynamics simulation method, we examine dynamical and structural characters of solid H{sub 2} under vapor pressure, demonstrating the difference from liquid and high-pressure solid H{sub 2}. While stable hexagonal close-packed lattice structures are reproduced with reasonable lattice phonon frequencies, the most stable adjacent configuration exhibits a zigzag structure, in contrast with the T-shape liquid configuration. The periodic angular distributions of H{sub 2} molecules indicate that molecules are not a completely free rotor in the vapor-pressure solid reflecting asymmetric potentials from surrounding molecules on adjacent lattice sites. Discrete jumps of librational and H–H vibrational frequencies as well as H–H bond length caused by structural rearrangements under vapor pressure effectively discriminate the liquid and solid phases. The obtained dynamical and structural information of the vapor-pressure H{sub 2} solid will be useful in monitoring thermodynamic states of condensed hydrogens.

Feasibility of an energy conversion system in Canada involving large-scale integrated hydrogen production using solid fuels

International Nuclear Information System (INIS)

Gnanapragasam, Nirmal V.; Reddy, Bale V.; Rosen, Marc A.

2010-01-01

A large-scale hydrogen production system is proposed using solid fuels and designed to increase the sustainability of alternative energy forms in Canada, and the technical and economic aspects of the system within the Canadian energy market are examined. The work investigates the feasibility and constraints in implementing such a system within the energy infrastructure of Canada. The proposed multi-conversion and single-function system produces hydrogen in large quantities using energy from solid fuels such as coal, tar sands, biomass, municipal solid waste (MSW) and agricultural/forest/industrial residue. The proposed system involves significant technology integration, with various energy conversion processes (such as gasification, chemical looping combustion, anaerobic digestion, combustion power cycles-electrolysis and solar-thermal converters) interconnected to increase the utilization of solid fuels as much as feasible within cost, environmental and other constraints. The analysis involves quantitative and qualitative assessments based on (i) energy resources availability and demand for hydrogen, (ii) commercial viability of primary energy conversion technologies, (iii) academia, industry and government participation, (iv) sustainability and (v) economics. An illustrative example provides an initial road map for implementing such a system. (author)

The behaviour of hydrogen in Excel alloy

Energy Technology Data Exchange (ETDEWEB)

Ells, C.E. [Atomic Energy of Canada Ltd., Chalk River, ON (Canada). Chalk River Nuclear Labs.; Coleman, C.E. [Atomic Energy of Canada Ltd., Chalk River, ON (Canada). Chalk River Nuclear Labs.; Cheadle, B.A. [Atomic Energy of Canada Ltd., Chalk River, ON (Canada). Chalk River Nuclear Labs.; Sagat, S. [Atomic Energy of Canada Ltd., Chalk River, ON (Canada). Chalk River Nuclear Labs.; Rodgers, D.K. [Atomic Energy of Canada Ltd., Chalk River, ON (Canada). Chalk River Nuclear Labs.

1995-12-15

To enable mitigation of deleterious effects from hydride on the mechanical behaviour of Excel alloy, Zr-3.5 wt.% Sn-0.8 wt.% Mo-0.8 wt.% Nb, the behaviours of hydrogen and hydride in the alloy have been studied. Properties of interest are the terminal solid solubility, diffusivity, heat of transport, stress reorientation, and the initiation and crack growth of delayed hydride cracking. The results obtained are compared with those of other zirconium-rich alloys, notably Zr-2.5 wt.% Nb. (orig.)

Translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I

Science.gov (United States)

Takahashi, Masae; Ishikawa, Yoichi

2013-06-01

We perform dispersion-corrected first-principles calculations, and far-infrared (terahertz) spectroscopic experiments at 4 K, to examine translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I. The calculated frequencies and relative intensities reproduce the observed spectrum to accuracy of 11 cm-1 or less. The stronger one of the two peaks assigned to the translational mode includes the stretching vibration of the weak hydrogen bond between the acetyl groups of a neighboring one-dimensional chain. The calculation of aspirin form II performed for comparison gives the stretching vibration of the weak hydrogen bond in one-dimensional chain.

Kinetics of solid-phase in ion exchange on tin hydrogen phosphate

International Nuclear Information System (INIS)

Kislitsyn, M.N.; Ketsko, V.A.; Yaroslavtsev, A.B.

2004-01-01

Solid state reactions in mixture of tin hydrogen phosphate and alkali metal (M=Na, K, Cs) chlorides have been studied both in the mode of polythermal heating and at a fixed temperature, using data of X-ray phase and thermogravimetric analyses. In the range 400-750 Deg C solid state ion exchange reactions occur in the systems studied and yield mono-- and dialkali phosphates MHSn(PO 4 ) 2 and M 2 Sn(PO 4 ) 2 . Counter diffusion coefficients for alkali metal cations and protons in the matrices of compositions MHSn(PO 4 ) 2 and M 2 Sn(PO 4 ) 2 have been determined [ru

Kinetic energy of solid and liquid para-hydrogen: a path integral Monte Carlo simulation

International Nuclear Information System (INIS)

Zoppi, M.; Neumann, M.

1992-01-01

The translational (center of mass) kinetic energy of solid and liquid para-hydrogen have been recently measured by means of Deep Inelastic Neutron Scattering. We have evaluated the same quantity, in similar thermodynamic conditions, by means of Path Integral Monte Carlo computer simulation, modelling the system as composed of a set of spherical molecules interacting through a pairwise additive Lennard-Jones potential. In spite of the crude approximations on the interaction potential, the agreement is excellent. The pressure was also computed by means of the same simulations. This quantity, compared with the equation of state for solid para-hydrogen given by Driessen and Silvera, gives an agreement of a lesser quality and a negative value for the liquid state. We attribute this discrepancy to the limitations of the Lennard-Jones potential. (orig.)

NO ICE HYDROGENATION: A SOLID PATHWAY TO NH{sub 2}OH FORMATION IN SPACE

Energy Technology Data Exchange (ETDEWEB)

Congiu, Emanuele; Dulieu, Francois; Chaabouni, Henda; Baouche, Saoud; Lemaire, Jean Louis [LERMA-LAMAp, Universite de Cergy-Pontoise, Observatoire de Paris, ENS, UPMC, UMR 8112 du CNRS, 5 Mail Gay Lussac, 95000 Cergy Pontoise Cedex (France); Fedoseev, Gleb; Ioppolo, Sergio; Lamberts, Thanja; Linnartz, Harold [Raymond and Beverly Sackler Laboratory for Astrophysics, Leiden Observatory, University of Leiden, P.O. Box 9513, 2300 RA Leiden (Netherlands); Laffon, Carine; Parent, Philippe [Laboratoire de Chimie-Physique, Matiere et Rayonnement, Universite Pierre-et-Marie Curie (Paris 06) and CNRS (UMR 7614), 11 rue Pierre-et-Marie-Curie, 75231 Paris (France); Cuppen, Herma M., E-mail: emanuele.congiu@u-cergy.fr [Faculty of Science, Radboud University Nijmegen, IMM, P.O. Box 9010, NL 6500 GL Nijmegen (Netherlands)

2012-05-01

Icy dust grains in space act as catalytic surfaces onto which complex molecules form. These molecules are synthesized through exothermic reactions from precursor radicals and, mostly, hydrogen atom additions. Among the resulting products are species of biological relevance, such as hydroxylamine-NH{sub 2}OH-a precursor molecule in the formation of amino acids. In this Letter, laboratory experiments are described that demonstrate NH{sub 2}OH formation in interstellar ice analogs for astronomically relevant temperatures via successive hydrogenation reactions of solid nitric oxide (NO). Inclusion of the experimental results in an astrochemical gas-grain model proves the importance of a solid-state NO+H reaction channel as a starting point for prebiotic species in dark interstellar clouds and adds a new perspective to the way molecules of biological importance may form in space.

Recent Advances in the Use of Sodium Borohydride as a Solid State Hydrogen Store

Directory of Open Access Journals (Sweden)

Jianfeng Mao

2015-01-01

Full Text Available The development of new practical hydrogen storage materials with high volumetric and gravimetric hydrogen densities is necessary to implement fuel cell technology for both mobile and stationary applications. NaBH4, owing to its low cost and high hydrogen density (10.6 wt%, has received extensive attention as a promising hydrogen storage medium. However, its practical use is hampered by its high thermodynamic stability and slow hydrogen exchange kinetics. Recent developments have been made in promoting H2 release and tuning the thermodynamics of the thermal decomposition of solid NaBH4. These conceptual advances offer a positive outlook for using NaBH4-based materials as viable hydrogen storage carriers for mobile applications. This review summarizes contemporary progress in this field with a focus on the fundamental dehydrogenation and rehydrogenation pathways and properties and on material design strategies towards improved kinetics and thermodynamics such as catalytic doping, nano-engineering, additive destabilization and chemical modification.

Solution and solid-phase halogen and C-H hydrogen bonding to perrhenate.

Science.gov (United States)

Massena, Casey J; Riel, Asia Marie S; Neuhaus, George F; Decato, Daniel A; Berryman, Orion B

2015-01-28

(1)H NMR spectroscopic and X-ray crystallographic investigations of a 1,3-bis(4-ethynyl-3-iodopyridinium)benzene scaffold with perrhenate reveal strong halogen bonding in solution, and bidentate association in the solid state. A nearly isostructural host molecule demonstrates significant C-H hydrogen bonding to perrhenate in the same phases.

Hydrogen distribution in a containment with a high-velocity hydrogen-steam source

International Nuclear Information System (INIS)

Bloom, G.R.; Muhlestein, L.D.; Postma, A.K.; Claybrook, S.W.

1982-09-01

Hydrogen mixing and distribution tests are reported for a modeled high velocity hydrogen-steam release from a postulated small pipe break or release from a pressurizer relief tank rupture disk into the lower compartment of an Ice Condenser Plant. The tests, which in most cases used helium as a simulant for hydrogen, demonstrated that the lower compartment gas was well mixed for both hydrogen release conditions used. The gas concentration differences between any spatial locations were less than 3 volume percent during the hydrogen/steam release period and were reduced to less than 0.5 volume percent within 20 minutes after termination of the hydrogen source. The high velocity hydrogen/steam jet provided the dominant mixing mechanism; however, natural convection and forced air recirculation played important roles in providing a well mixed atmosphere following termination of the hydrogen source. 5 figures, 4 tables

Durability of solid oxide electrolysis cells for hydrogen production

Energy Technology Data Exchange (ETDEWEB)

Hauch, A.; Hoejgaard Jensen, S.; Dalgaard Ebbesen, S.

2007-05-15

In the perspective of the increasing interest in renewable energy and hydrogen economy, the reversible solid oxide cells (SOCs) is a promising technology as it has the potential of providing efficient and cost effective hydrogen production by high temperature electrolysis of steam (HTES). Furthermore development of such electrolysis cells can gain from the results obtained within the R and D of SOFCs. For solid oxide electrolysis cells (SOEC) to become interesting from a technological point of view, cells that are reproducible, high performing and long-term stable need to be developed. In this paper we address some of the perspectives of the SOEC technology i.e. issues such as a potential H2 production price as low as 0.71 US dollar/kg H{sub 2} using SOECs for HTES; is there a possible market for the electrolysers? and what R and D steps are needed for the realisation of the SOEC technology? In the experimental part we present electrolysis test results on SOCs that have been optimized for fuel cell operation but applied for HTES. The SOCs are produced on a pre-pilot scale at Risoe National Laboratory. These cells have been shown to have excellent initial electrolysis performance, but the durability of such electrolysis cells are not optimal and examples of results from SOEC tests over several hundreds of hours are given here. The long-term tests have been run at current densities of -0.5 A/cm{sup 2} and -1 A/cm{sup 2}, temperatures of 850 deg. C and 950 deg. C and p(H{sub 2}O)/p(H{sub 2}) of 0.5/0.5 and 0.9/0.1. Long-term degradation rates are shown to be up to 5 times higher for SOECs compared to similar SOFC testing. Furthermore, hydrogen and synthetic fuel production prices are calculated using the experimental results from long-term electrolysis test as input and a short outlook for the future work on SOECs will be given as well. (au)

Storing Hydrogen, by Enhancing Diamond Powder Properties under Hydrogen Plasma with CaF2 and KF for Use in Fuel Cells

International Nuclear Information System (INIS)

Ochoa, Franklyn E. Colmenares

2006-01-01

A fuel cell is like a battery that instead of using electricity to recharge itself, it uses hydrogen. In the fuel cell industry, one of the main problems is storing hydrogen in a safe way and extracting it economically. Gaseous hydrogen requires high pressures which could be very dangerous in case of a collision. The success of hydrogen use depends largely on the development of an efficient storage and release method. In an effort to develop a better hydrogen storage system for fuel cells technology this research investigates the use of 99% pure diamond powder for storing hydrogen. Mixing this powder with a calcium fluoride and potassium fluoride compound in its solid form and treating the surface of the powder with hydrogen plasma, modifies the surface of the diamond. After some filtration through distilled water and drying, the modified diamond is treated with hydrogen. We expect hydrogen to be attracted to the diamond powder surface in higher quantities due to the CaF2 and KF treatment. Due to the large surface area of diamond nanopowder and the electronegative terminal bonds of the fluorine particles on the structure's surface, to the method shows promise in storing high densities of hydrogen

Hydrogen production from municipal solid waste

Energy Technology Data Exchange (ETDEWEB)

Wallman, P.H.; Richardson, J.H.; Thorsness, C.B. [and others

1996-06-28

We have modified a Municipal Solid Waste (MSW) hydrothermal pretreatment pilot plant for batch operation and blowdown of the treated batch to low pressure. We have also assembled a slurry shearing pilot plant for particle size reduction. Waste paper and a mixture of waste paper/polyethylene plastic have been run in the pilot plant with a treatment temperature of 275{degrees}C. The pilot-plant products have been used for laboratory studies at LLNL. The hydrothermal/shearing pilot plants have produced acceptable slurries for gasification tests from a waste paper feedstock. Work is currently underway with combined paper/plastic feedstocks. When the assembly of the Research Gasification Unit at Texaco (feed capacity approximately 3/4-ton/day) is complete (4th quarter of FY96), gasification test runs will commence. Laboratory work on slurry samples during FY96 has provided correlations between slurry viscosity and hydrothermal treatment temperature, degree of shearing, and the presence of surfactants and admixed plastics. To date, pumpable slurries obtained from an MSW surrogate mixture of treated paper and plastic have shown heating values in the range 13-15 MJ/kg. Our process modeling has quantified the relationship between slurry heating value and hydrogen yield. LLNL has also performed a preliminary cost analysis of the process with the slurry heating value and the MSW tipping fee as parameters. This analysis has shown that the overall process with a 15 MJ/kg slurry gasifier feed can compete with coal-derived hydrogen with the assumption that the tipping fee is of the order $50/ton.

Solid hydrogen target for laser driven proton acceleration

Science.gov (United States)

Perin, J. P.; Garcia, S.; Chatain, D.; Margarone, D.

2015-05-01

The development of very high power lasers opens up new horizons in various fields, such as laser plasma acceleration in Physics and innovative approaches for proton therapy in Medicine. Laser driven proton acceleration is commonly based on the so-called Target Normal Sheath Acceleration (TNSA) mechanisms: a high power laser is focused onto a solid target (thin metallic or plastic foil) and interact with matter at very high intensity, thus generating a plasma; as a consequence "hot" electrons are produced and move into the forward direction through the target. Protons are generated at the target rear side, electrons try to escape from the target and an ultra-strong quasi-electrostatic field (~1TV/m) is generated. Such a field can accelerate protons with a wide energy spectrum (1-200 MeV) in a few tens of micrometers. The proton beam characteristics depend on the laser parameters and on the target geometry and nature. This technique has been validated experimentally in several high power laser facilities by accelerating protons coming from hydrogenated contaminant (mainly water) at the rear of metallic target, however, several research groups are investigating the possibility to perform experiments by using "pure" hydrogen targets. In this context, the low temperature laboratory at CEA-Grenoble has developed a cryostat able to continuously produce a thin hydrogen ribbon (from 40 to 100 microns thick). A new extrusion concept, without any moving part has been carried out, using only the thermodynamic properties of the fluid. First results and perspectives are presented in this paper.

Semi-solid state fermentation of bagasse for hydrogen production; the cost-effective approach in Indian context

International Nuclear Information System (INIS)

Singh, S.P.; Asthana, R.K.; Singh, A.P.

2006-01-01

Semi-solid state fermentation route of hydrogen production from agro-waste sugar cane bagasse was tried using the photosynthetic bacterium Rhodopseudomonas (BHU strain-1) and the non-photosynthetic Enterobacter aerogenes MTCC2822. The process seems an alternative to submerged fermentation that requires high volumes of nutrient broth. Bagasse (10 g) pre-hydrolyzed with NaOH (2%, w/v) was coated with Ca-alginate (1.5%, v/v) containing Rhodopseudomonas and E. aerogenes in the co-immobilized state (300 μg bacterial biomass ml -1 ). The fermenting medium was just 150 ml to sustain the moistened bagasse in a 0.5 L fermenter kept in light. A parallel set of free bacterial cells served as control. Hydrogen production by the immobilized sets reached 30 L within 60 h with the average rate of 0.177 L H 2 h -1 . For free cells, the values for hydrogen output (20 L) or the rate 0.1125 L H 2 h -1 were approximately 1.5-fold low. It is proposed that semi-solid fermentation route of hydrogen production from bagasse will be a cost-effective technology in countries generating this agro-waste. (authors)

Semi-solid state fermentation of bagasse for hydrogen production; the cost-effective approach in Indian context

Energy Technology Data Exchange (ETDEWEB)

Singh, S.P.; Asthana, R.K.; Singh, A.P. [Centre of Advanced Study in Botany, Banaras Hindu University, Varanasi-221005, (India)

2006-07-01

Semi-solid state fermentation route of hydrogen production from agro-waste sugar cane bagasse was tried using the photosynthetic bacterium Rhodopseudomonas (BHU strain-1) and the non-photosynthetic Enterobacter aerogenes MTCC2822. The process seems an alternative to submerged fermentation that requires high volumes of nutrient broth. Bagasse (10 g) pre-hydrolyzed with NaOH (2%, w/v) was coated with Ca-alginate (1.5%, v/v) containing Rhodopseudomonas and E. aerogenes in the co-immobilized state (300 {mu}g bacterial biomass ml{sup -1}). The fermenting medium was just 150 ml to sustain the moistened bagasse in a 0.5 L fermenter kept in light. A parallel set of free bacterial cells served as control. Hydrogen production by the immobilized sets reached 30 L within 60 h with the average rate of 0.177 L H{sub 2} h{sup -1}. For free cells, the values for hydrogen output (20 L) or the rate 0.1125 L H{sub 2} h{sup -1} were approximately 1.5-fold low. It is proposed that semi-solid fermentation route of hydrogen production from bagasse will be a cost-effective technology in countries generating this agro-waste. (authors)

A two-stage bio hydrogen process for energy generation from municipal solid wastes

International Nuclear Information System (INIS)

Acevedo-Benitez, J. a.; Poggi-Varaldo, H. M.

2009-01-01

Energy supply and disposal of solid wastes are two big challenges that great cities face at the present time. Several experts have shown that hydrogen is the fuel of the future, due to their high energy content (three times more than that of the gasoline) and its clean combustion. (Author)

Hydrogen production characteristics of the organic fraction of municipal solid wastes by anaerobic mixed culture fermentation

Energy Technology Data Exchange (ETDEWEB)

Dong, Li; Yu, Zhang [Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640 (China)]|[Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Zhenhong, Yuan; Yongming, Sun; Xiaoying, Kong [Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640 (China)

2009-01-15

The hydrogen production from the organic fraction of municipal solid waste (OFMSW) by anaerobic mixed culture fermentation was investigated using batch experiments at 37 C. Seven varieties of typical individual components of OFMSW including rice, potato, lettuce, lean meat, oil, fat and banyan leaves were selected to estimate the hydrogen production potential. Experimental results showed that the boiling treated anaerobic sludge was effective mixed inoculum for fermentative hydrogen production from OFMSW. Mechanism of fermentative hydrogen production indicates that, among the OFMSW, carbohydrates is the most optimal substrate for fermentative hydrogen production compared with proteins, lipids and lignocelluloses. This conclusion was also substantiated by experimental results of this study. The hydrogen production potentials of rice, potato and lettuce were 134 mL/g-VS, 106 mL/g-VS, and 50 mL/g-VS respectively. The hydrogen percentages of the total gas produced from rice, potato and lettuce were 57-70%, 41-55% and 37-67%. (author)

Solid Catalyst with Ionic Liquid Layer (SCILL). A concept to improve the selectivity of selective hydrogenations

Energy Technology Data Exchange (ETDEWEB)

Jess, A.; Korth, W. [Bayreuth Univ. (Germany). Chair of Chemical Engineering

2011-07-01

Catalytic hydrogenations are important for refinery processes, petrochemical applications as well as for numerous processes of the fine chemicals industry. In some cases, hydrogenations consist of a sequence of consecutive reactions, and the desired product is the intermediate. An important goal is then a high yield and selectivity to the intermediate, if possible at a high conversion degree. The selectivity to an intermediate primarily depends on the chemical nature of the catalyst, but may also be influenced by diffusion processes. Ionic liquids (ILs) are low melting salts (< 100 C) and represent a promising solvent class. This paper focuses on the concept of a Solid Catalyst with Ionic Liquid Layer (SCILL), where the solid catalyst is coated with a thin IL layer to improve the selectivity. (orig.)

Hydrogen transport in solids with traps in the case of continuum distribution of detrapping energies

International Nuclear Information System (INIS)

Krasheninnikov, S I; Smirnov, R D; Marenkov, E D; Pisarev, A A

2014-01-01

Tritium retention in the first wall material is one of the key issues in the performance of future fusion reactors. Transport of hydrogenic species in these materials is most commonly treated as diffusion affected by trapping/detrapping processes. Usually only several trap types differing in their activation energies of hydrogen release are considered (up to three types in the TMAP7 code). We suggest that in some cases (e.g. highly damaged or disordered media) the hydrogen trapping/detrapping process is better characterized by a continuum distribution of traps over their detrapping energies. Within a random walk model we show that this assumption leads to qualitative changes in hydrogen transport in solids. Using this model we explain experimental findings on temporal dependence of deuterium outgassing from tokamaks, first wall. (paper)

Thermophilic anaerobic co-digestion of organic fraction of municipal solid waste (OFMSW) with food waste (FW): Enhancement of bio-hydrogen production.

Science.gov (United States)

Angeriz-Campoy, Rubén; Álvarez-Gallego, Carlos J; Romero-García, Luis I

2015-10-01

Bio-hydrogen production from dry thermophilic anaerobic co-digestion (55°C and 20% total solids) of organic fraction of municipal solid waste (OFMSW) and food waste (FW) was studied. OFMSW coming from mechanical-biological treatment plants (MBT plants) presents a low organic matter concentration. However, FW has a high organic matter content but several problems by accumulation of volatile fatty acids (VFAs) and system acidification. Tests were conducted using a mixture ratio of 80:20 (OFSMW:FW), to avoid the aforementioned problems. Different solid retention times (SRTs) - 6.6, 4.4, 2.4 and 1.9 days - were tested. It was noted that addition of food waste enhances the hydrogen production in all the SRTs tested. Best results were obtained at 1.9-day SRT. It was observed an increase from 0.64 to 2.51 L H2/L(reactor) day in hydrogen productivity when SRTs decrease from 6.6 to 1.9 days. However, the hydrogen yield increases slightly from 33.7 to 38 mL H2/gVS(added). Copyright © 2015 Elsevier Ltd. All rights reserved.

The solid molecular hydrogens in the ordered state as function of density and ortho-para concentration: a far infrared study

International Nuclear Information System (INIS)

Jochemsen, R.

1978-01-01

In this thesis, the results of far infrared absorption experiments on solid molecular hydrogen and deuterium are presented. In Chapter I an introduction to the properties of solid molecular hydrogens in given. The experimental system used for the high pressure infrared measurements and the data handling procedures are discussed in Chapter II. The theory of infrared absorption and the averaging of the dipole moment over the motion of the molecules is contained in Chapter III. In this chapter a general sum rule for the integrated absorption is derived. The remaining chapters present the results of the measurements and the discussion. In Chapter IV the author concentrates on the phonon frequencies as a function of ortho-para concentration and density, while in Chapter V measuremtns of phonon lineshape and integrated absorption intensities are presented. Finally, in Chapter VI, a study is given of the phase transition in solid hydrogen and deuterium. This study provides accurate values for the transition temperature as a function of density (in deuterium) and as a function of ortho-para concentration (in hydrogen) as well as the dependence of the order parameter on the temperature and the ortho-para concentration. (Auth.)

Valorization of Calcium Carbonate-Based Solid Wastes for the Treatment of Hydrogen Sulfide from the Gas Phase

OpenAIRE

Pham Xuan , Huynh; Pham Minh , Doan; Galera Martinez , Marta; Nzihou , Ange; Sharrock , Patrick

2015-01-01

International audience; This paper focuses on the valorization of calcium carbonate-based solid wastes for theremoval of hydrogen sulfide from gas phase. Two solid wastes taken from industrial sites for theproduction of sodium carbonate and sodium bicarbonate by the Solvay process® were analyzedby different physico-chemical methods. Calcium carbonate was found as the main component ofboth the solid wastes. Trace amounts of other elements such as Mg, Al, Fe, Si, Cl, Na etc. werealso present in...

Infrared studies of ortho-para conversion at Cl-atom and H-atom impurity centers in cryogenic solid hydrogen

International Nuclear Information System (INIS)

Raston, P.L.; Kettwich, S.C.; Anderson, D.T.

2010-01-01

We report infrared spectroscopic studies of H 2 ortho-para (o/p) conversion in solid hydrogen doped with Cl-atoms at 2 K while the Cl + H 2 (υ = 1) → HCl + H infrared-induced chemical reaction is occurring. The Cl-atom doped hydrogen crystals are synthesized using 355 nm in situ photodissociation of Cl 2 precursor molecules. For hydrogen solids with high ortho-H 2 fractional concentrations (X o = 0.55), the o/p conversion kinetics is dominated by Cl-atom catalyzed conversion with a catalyzed conversion rate constant K cc = 1.16(11) min -1 and the process is rate-limited by ortho-H 2 quantum diffusion. For hydrogen crystals with low ortho-H2 concentrations (X o = 0.03), single-exponential decay of the ortho-H 2 concentration with time is observed which is attributed to H-atom catalyzed o/p conversion by the H-atoms produced during the infrared-induced Cl + H 2 reaction. The measured H-atom catalyzed o/p conversion kinetics indicates the H-atoms are mobile under these conditions in agreement with previous ESR measurements.

Tuning Solid Surfaces from Hydrophobic to Superhydrophilic by Submonolayer Surface Modification

International Nuclear Information System (INIS)

Meng, Sheng; Zhang Zhenyu; Kaxiras, Efthimios

2006-01-01

Molecular-scale understanding and manipulation of the wetting behavior of water on solids remains a fundamental challenge. Using diamond as a model system, we show that the naturally hydrophobic behavior of a hydrogen-terminated C(111) surface can be manipulated by replacing the H termination with a monolayer of adsorbate. In particular, a mixed monolayer of (1/3) Na and (2/3) F atoms leads to superhydrophilic behavior, as shown by first-principles calculations. The physical origin of the superhydrophilic behavior is attributed to the ionic nature of the Na adatoms, which mediate the right degree of binding strength between water molecules and the substrate

Solubility of hydrogen isotopes in stressed hydride-forming metals

International Nuclear Information System (INIS)

Coleman, C.E.; Ambler, J.F.R.

1983-01-01

Components made from hydride-forming metals can be brittle when particles of hydride are present. The solid solubility limit of hydrogen in these metals needs to be known so that fracture resistance can be properly assessed. Stress affects the solubility of hydrogen in metals. As hydrogen dissolves the metal volume increases, an applied hydrostatic tensile stress supplies work to increase the solubility. Precipitation of hydrides increases the volume further. A hydrostatic tensile stress promotes the formation of hydrides and tends to reduce the terminal solubility. For materials containing hydrogen in solution in equilibrium with hydrides, the effect of stress on the terminal solubility is given. Hydrogen migrates up tensile stress gradients because of the effect of stress on the solubility and solubility limit. Consequently, hydrogen concentrates at flaws. When hydrides are present in the metal matrix, those remote from the flaw tip will preferentially dissolve in favor of those precipitated at the flaw. If the stress is large enough, at some critical condition the hydrides at the flaw will crack. This is delayed hydrogen cracking. Notched and fatigue-cracked cantilever beam specimens (6) (38 x 4 x 3 mm) were machined from the circumferential direction of several cold-worked Zr-2.5 at. % Nb pressure tubes. The chemical compositions had the ranges (in atomic %) Nb - 2.5 to 2.7; O - 0.58 to 0.71; H - 0.018 to 0.18. The effect of test temperature is for a specimen containing 0.13 at. % protium and 0.29 at .% deuterium. Between 505 K and 530 K was less than 1 hr, between 530 K and 537 K it increased to 25.8 h, while at 538 K no cracking was observed up to the 54 h

Phase transition of DNA-linked gold nanoparticles: Creation of a high concentration of atomic hydrogen in impurity-helium solids

International Nuclear Information System (INIS)

Kiselev, S.I.; Khmelenko, V.V.; Bernard, E.P.; Lee, C.Y.; Lee, D.M.

2003-01-01

The exchange tunneling reactions D+H 2 →HD+H and D+HD→D 2 +H were used to generate high concentrations of atomic hydrogen in impurity-helium solids. The dependence of atom concentration on the content of hydrogen in the injected gas mixture gave a maximum concentration of 7.5x10 17 cm -3 hydrogen atoms for an initial gas ratio H 2 :D 2 :He=1:4:100

Evaluation of the DSC technique in the determination of the terminal temperature solubility of hydrogen in Zircaloy 4

International Nuclear Information System (INIS)

Vizcaino, Pablo; Banchik, Abraham D.

1999-01-01

The determination of the terminal temperature solubility of hydrogen in the zirconium alloys is a matter of our interest, since the hydride precipitation in these materials make them susceptible to the delay hydrogen cracking (DHC). Nowadays efforts are directed to the determination of this parameter on irradiated materials. In this frame we have begun a program to determine these curves on irradiated zirconium alloys like Zircaloys, Zr 2.5% Nb, Zr 1% Nb, zirconium sponge and high oxygen zirconium with different microstructures using the differential scanning calorimeter technique. The earlier task that we have imposed to us is the evaluation the reproducibility of this technique and the influence of the heating and cooling rates on the results. With these objectives we have initiated this work measuring the terminal temperature solubility (TTS) in unirradiated recrystallized and cold worked Zircaloy-4. We have found that the reproducibility of the technique is good; the average values (TSSD) and (TSSP) agree within the experimental error and the dispersions are low. Variance analysis indicates that the values of TSSD and TSSP do not depend on the heating and cooling rates. Within the rank analyzed the differences in the measurements are only possible to be attributed to statistical and/or experimental errors. The obtained curves of solubility show to a good agreement with the values obtained by others authors until 200 ppm (weight) of hydrogen. Similar comparisons between precipitation curves have not been made in regard to which these values depend on the maximum temperature reached in the experience. (author)

Plasma density measurements on refuelling by solid hydrogen pellets in a rotating plasma

International Nuclear Information System (INIS)

Joergensen, L.W.; Sillesen, A.H.

1978-01-01

The refuelling of a plasma by solid hydrogen pellets situated in the plasma is investigated. Nearly half of the pellet material is evaporated and seems to be completely ionized, resulting in an increase of the amount of plasma equivalent to one third of the total amount of plasma without refuelling. The gross behaviour of the plasma is not changed. (author)

Electric terminal performance and characterization of solid oxide fuel cells and systems

Science.gov (United States)

Lindahl, Peter Allan

Solid Oxide Fuel Cells (SOFCs) are electrochemical devices which can effect efficient, clean, and quiet conversion of chemical to electrical energy. In contrast to conventional electricity generation systems which feature multiple discrete energy conversion processes, SOFCs are direct energy conversion devices. That is, they feature a fully integrated chemical to electrical energy conversion process where the electric load demanded of the cell intrinsically drives the electrochemical reactions and associated processes internal to the cell. As a result, the cell's electric terminals provide a path for interaction between load side electric demand and the conversion side processes. The implication of this is twofold. First, the magnitude and dynamic characteristics of the electric load demanded of the cell can directly impact the long-term efficacy of the cell's chemical to electrical energy conversion. Second, the electric terminal response to dynamic loads can be exploited for monitoring the cell's conversion side processes and used in diagnostic analysis and degradation-mitigating control schemes. This dissertation presents a multi-tier investigation into this electric terminal based performance characterization of SOFCs through the development of novel test systems, analysis techniques and control schemes. First, a reference-based simulation system is introduced. This system scales up the electric terminal performance of a prototype SOFC system, e.g. a single fuel cell, to that of a full power-level stack. This allows realistic stack/load interaction studies while maintaining explicit ability for post-test analysis of the prototype system. Next, a time-domain least squares fitting method for electrochemical impedance spectroscopy (EIS) is developed for reduced-time monitoring of the electrochemical and physicochemical mechanics of the fuel cell through its electric terminals. The utility of the reference-based simulator and the EIS technique are demonstrated

The calculation of specific heats for some important solid components in hydrogen production process based on CuCl cycle

Directory of Open Access Journals (Sweden)

Avsec Jurij

2014-01-01

Full Text Available Hydrogen is one of the most promising energy sources of the future enabling direct production of power and heat in fuel cells, hydrogen engines or furnaces with hydrogen burners. One of the last remainder problems in hydrogen technology is how to produce a sufficient amount of cheap hydrogen. One of the best options is large scale thermochemical production of hydrogen in combination with nuclear power plant. copper-chlorine (CuCl cycle is the most promissible thermochemical cycle to produce cheap hydrogen.This paper focuses on a CuCl cycle, and the describes the models how to calculate thermodynamic properties. Unfortunately, for many components in CuCl cycle the thermochemical functions of state have never been measured. This is the reason that we have tried to calculate some very important thermophysical properties. This paper discusses the mathematical model for computing the thermodynamic properties for pure substances and their mixtures such as CuCl, HCl, Cu2OCl2 important in CuCl hydrogen production in their fluid and solid phase with an aid of statistical thermodynamics. For the solid phase, we have developed the mathematical model for the calculation of thermodynamic properties for polyatomic crystals. In this way, we have used Debye functions and Einstein function for acoustical modes and optical modes of vibrations to take into account vibration of atoms. The influence of intermolecular energy we have solved on the basis of Murnaghan equation of state and statistical thermodynamics.

An overview of renewable hydrogen production from thermochemical process of oil palm solid waste in Malaysia

International Nuclear Information System (INIS)

Hosseini, Seyed Ehsan; Wahid, Mazlan Abdul; Ganjehkaviri, A.

2015-01-01

Highlights: • 40% of energy demand of Malaysia could be supplied by thermochemical process of PSR. • SCWG of PSR is preferable thermochemical process due to char and tar elimination. • Potential of H 2 production from SCWG of PSR is 1.05 × 10 10 kgH 2 per year in Malaysia. • Highly moisturized PSR could be used in hydrogen production by SCWG process. - Abstract: Hydrogen is one of the most promising energy carriers for the future of the world due to its tremendous capability of pollution reduction. Hydrogen utilization is free of toxic gases formation as well as carbon dioxide (CO 2 ) emission. Hydrogen production can be implemented using a wide variety of resources including fossil fuels, nuclear energy and renewable and sustainable energy (RSE). Amongst various RSE resources, biomass has great capacity to be employed for renewable hydrogen production. Hydrogen production from palm solid residue (PSR) via thermochemical process is a perfect candidate for waste-to-well strategy in palm oil mills in Malaysia. In this paper, various characteristics of hydrogen production from thermochemical process of PSR includes pyrolysis and gasification are reviewed. The annual oil palm fruits production in Malaysia is approximately 100 million tonnes which the solid waste of the fruits is capable to generate around 1.05 × 10 10 kgH 2 (1.26 EJ) via supercritical water gasification (SCWG) process. The ratio of energy output to energy input of SCWG process of PSR is about 6.56 which demonstrates the priority of SCWG to transform the energy of PSR into a high energy end product. The high moisture of PSR which is the most important barrier for its direct combustion, emerges as an advantage in thermochemical reactions and highly moisturized PSR (even more than 50%) is utilized directly in SCWG without application of any high cost drying process. Implementation of appropriate strategies could lead Malaysia to supply about 40% of its annual energy demand by hydrogen yield from

Kinetic Studies on State of the Art Solid Oxide Cells – A Comparison between Hydrogen/Steam and Reformate Fuels

DEFF Research Database (Denmark)

Njodzefon, Jean-Claude; Graves, Christopher R.; Mogensen, Mogens Bjerg

2015-01-01

Electrochemical reaction kinetics at the electrodes of Solid Oxide Cells (SOCs) were investigated at 700 °C for two cells with different fuel electrode microstructures as well as on a third cell with a reduced active electrode area. Three fuel mixtures were investigated – hydrogen/steam and refor......Electrochemical reaction kinetics at the electrodes of Solid Oxide Cells (SOCs) were investigated at 700 °C for two cells with different fuel electrode microstructures as well as on a third cell with a reduced active electrode area. Three fuel mixtures were investigated – hydrogen....../steam fuel split into two processes with opposing temperature behavior in the reformate fuels. An 87.5% reduction in active electrode area diminishes the gas conversion impedance in the hydrogen/steam fuel at high fuel flow rates. In both reformates, the second and third lowest frequency processes merged...

Sensitivity of encapsulated diamond-protein transistor renewed by low temperature hydrogen plasma

Czech Academy of Sciences Publication Activity Database

Krátká, Marie; Neykova, Neda; Ukraintsev, Egor; Kromka, Alexander; Rezek, Bohuslav

2013-01-01

Roč. 8, č. 2 (2013), s. 1598-1608 ISSN 1452-3981 R&D Projects: GA ČR(CZ) GBP108/12/G108; GA ČR GAP108/12/0996; GA ČR GD202/09/H041 Institutional support: RVO:68378271 Keywords : nanocrystalline diamond * solution-gated field-effect transistor * low temperature hydrogen termination * proteins * encapsulation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.956, year: 2013 http://www.electrochemsci.org/list13.htm#current

Shape-Dependent Activity of Ceria for Hydrogen Electro-Oxidation in Reduced-Temperature Solid Oxide Fuel Cells.

Science.gov (United States)

Tong, Xiaofeng; Luo, Ting; Meng, Xie; Wu, Hao; Li, Junliang; Liu, Xuejiao; Ji, Xiaona; Wang, Jianqiang; Chen, Chusheng; Zhan, Zhongliang

2015-11-04

Single crystalline ceria nanooctahedra, nanocubes, and nanorods are hydrothermally synthesized, colloidally impregnated into the porous La0.9Sr0.1Ga0.8Mg0.2O3-δ (LSGM) scaffolds, and electrochemically evaluated as the anode catalysts for reduced temperature solid oxide fuel cells (SOFCs). Well-defined surface terminations are confirmed by the high-resolution transmission electron microscopy--(111) for nanooctahedra, (100) for nanocubes, and both (110) and (100) for nanorods. Temperature-programmed reduction in H2 shows the highest reducibility for nanorods, followed sequentially by nanocubes and nanooctahedra. Measurements of the anode polarization resistances and the fuel cell power densities reveal different orders of activity of ceria nanocrystals at high and low temperatures for hydrogen electro-oxidation, i.e., nanorods > nanocubes > nanooctahedra at T ≤ 450 °C and nanooctahedra > nanorods > nanocubes at T ≥ 500 °C. Such shape-dependent activities of these ceria nanocrystals have been correlated to their difference in the local structure distortions and thus in the reducibility. These findings will open up a new strategy for design of advanced catalysts for reduced-temperature SOFCs by elaborately engineering the shape of nanocrystals and thus selectively exposing the crystal facets. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Process for the liquefaction of solid carbonaceous materials wherein nitrogen is separated from hydrogen via ammonia synthesis

Science.gov (United States)

Stetka, Steven S.; Nazario, Francisco N.

1982-01-01

In a process for the liquefaction of solid carbonaceous materials wherein bottoms residues are upgraded with a process wherein air is employed, the improvement wherein nitrogen buildup in the system is avoided by ammonia synthesis. In a preferred embodiment hydrogen from other portions of the liquefaction process will be combined with hydrogen produced as a result of the bottoms upgrading to increase the H.sub.2 :N.sub.2 ratio in the ammonia reactor.

Tank designs for combined high pressure gas and solid state hydrogen storage

DEFF Research Database (Denmark)

Mazzucco, Andrea

Many challenges have still to be overcome in order to establish a solid ground for significant market penetration of fuel cell hydrogen vehicles. The development of an effective solution for on-board hydrogen storage is one of the main technical tasks that need to be tackled. The present thesis...... deals with the development of a simulation tool to design and compare different vehicular storage options with respect to targets based upon storage and fueling efficiencies. The set targets represent performance improvements with regard to the state-of-the-art technology and are separately defined...... volume. Heat transfer augmentation techniques (e.g. encapsulation) are found to be the reward strategy to achieve the same stored mass and fueling time of the standard technology, while enabling ambient temperature fueling and save the energy cooling demand (4.2 MJ per fueling) at the refueling station....

Solid NMR characterization of hydrogen solid storage matrices

International Nuclear Information System (INIS)

Pilette, M.A.; Charpentier, T.; Berthault, P.

2007-01-01

The aim of this work is to develop and validate characterization tools by NMR imagery and spectroscopy of the structure of materials for hydrogen storage, and of their evolution during load/unload cycles. The two main topics of this work are in one hand the analysis of the local structure of the materials and the understanding of their eventual modifications, and in another hand, the in-situ analysis of the distribution and diffusion of hydrogen inside the storage material. (O.M.)

An Overview of Natural Gas Conversion Technologies for Co-Production of Hydrogen and Value-Added Solid Carbon Products

Energy Technology Data Exchange (ETDEWEB)

Dagle, Robert A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Dagle, Vanessa [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Bearden, Mark D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Holladay, Jamelyn D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Krause, Theodore R. [Argonne National Lab. (ANL), Argonne, IL (United States); Ahmed, Shabbir [Argonne National Lab. (ANL), Argonne, IL (United States)

2017-11-16

This report was prepared in response to the U.S. Department of Energy Fuel Cell Technologies Office Congressional Appropriation language to support research on carbon-free production of hydrogen using new chemical processes that utilize natural gas to produce solid carbon and hydrogen. The U.S. produces 9-10 million tons of hydrogen annually with more than 95% of the hydrogen produced by steam-methane reforming (SMR) of natural gas. SMR is attractive because of its high hydrogen yield; but it also converts the carbon to carbon dioxide. Non-oxidative thermal decomposition of methane to carbon and hydrogen is an alternative to SMR and produces CO₂-free hydrogen. The produced carbon can be sold as a co-product, thus providing economic credit that reduces the delivered net cost of hydrogen. The combination of producing hydrogen with potentially valuable carbon byproducts has market value in that this allows greater flexibility to match the market prices of hydrogen and carbon. That is, the higher value product can subsidize the other in pricing decisions. In this report we highlight the relevant technologies reported in the literature—primarily thermochemical and plasma conversion processes—and recent research progress and commercial activities. Longstanding technical challenges include the high energetic requirements (e.g., high temperatures and/or electricity requirements) necessary for methane activation and, for some catalytic processes, the separation of solid carbon product from the spent catalyst. We assess current and new carbon product markets that could be served given technological advances, and we discuss technical barriers and potential areas of research to address these needs. We provide preliminary economic analysis for these processes and compare to other emerging (e.g., electrolysis) and conventional (e.g., SMR) processes for hydrogen production. The overarching conclusion of this study is that the cost of hydrogen can be potentially

Hydrogen Production Performance of a 10-Cell Planar Solid-Oxide Electrolysis Stack

International Nuclear Information System (INIS)

James O'Brien; Carl Stoots; Steve Herring; J. Hartvigsen

2005-01-01

An experimental study is under way to assess the performance of solid-oxide cells operating in the steam electrolysis mode for hydrogen production over a temperature range of 800 to 900 C. Results presented in this paper were obtained from a ten-cell planar electrolysis stack, with an active area of 64 cm2 per cell. The electrolysis cells are electrolyte supported, with scandia-stabilized zirconia electrolytes (∼140 (micro)m thick), nickel-cermet steam/hydrogen electrodes, and manganite air-side electrodes. The metallic interconnect plates are fabricated from ferritic stainless steel. The experiments were performed over a range of steam inlet mole fractions (0.1-0.6), gas flow rates (1000-4000 sccm), and current densities (0 to 0.38 A/cm2). Steam consumption rates associated with electrolysis were measured directly using inlet and outlet dewpoint instrumentation. Cell operating potentials and cell current were varied using a programmable power supply. Hydrogen production rates up to 100 Normal liters per hour were demonstrated. Values of area-specific resistance and stack internal temperatures are presented as a function of current density. Stack performance is shown to be dependent on inlet steam flow rate

Flight demonstration of flight termination system and solid rocket motor ignition using semiconductor laser initiated ordnance

Science.gov (United States)

Schulze, Norman R.; Maxfield, B.; Boucher, C.

1995-01-01

Solid State Laser Initiated Ordnance (LIO) offers new technology having potential for enhanced safety, reduced costs, and improved operational efficiency. Concerns over the absence of programmatic applications of the technology, which has prevented acceptance by flight programs, should be abated since LIO has now been operationally implemented by the Laser Initiated Ordnance Sounding Rocket Demonstration (LOSRD) Program. The first launch of solid state laser diode LIO at the NASA Wallops Flight Facility (WFF) occurred on March 15, 1995 with all mission objectives accomplished. This project, Phase 3 of a series of three NASA Headquarters LIO demonstration initiatives, accomplished its objective by the flight of a dedicated, all-LIO sounding rocket mission using a two-stage Nike-Orion launch vehicle. LIO flight hardware, made by The Ensign-Bickford Company under NASA's first Cooperative Agreement with Profit Making Organizations, safely initiated three demanding pyrotechnic sequence events, namely, solid rocket motor ignition from the ground and in flight, and flight termination, i.e., as a Flight Termination System (FTS). A flight LIO system was designed, built, tested, and flown to support the objectives of quickly and inexpensively putting LIO through ground and flight operational paces. The hardware was fully qualified for this mission, including component testing as well as a full-scale system test. The launch accomplished all mission objectives in less than 11 months from proposal receipt. This paper concentrates on accomplishments of the ordnance aspects of the program and on the program's implementation and results. While this program does not generically qualify LIO for all applications, it demonstrated the safety, technical, and operational feasibility of those two most demanding applications, using an all solid state safe and arm system in critical flight applications.

On dewetting dynamics of solid films of hydrogen isotopes and its influence on tritium β spectroscopy

International Nuclear Information System (INIS)

Fleischmann, L.; Bonn, J.; Bornschein, B.; Otten, E.W.; Przyrembel, M.; Weinheimer, Ch.

2000-01-01

The dewetting dynamics of solid films of hydrogen isotopes, quench-condensed on a graphite substrate, was measured at various temperatures below desorption by observing the stray light from the film. A schematic model describing the dewetting process by surface diffusion is presented, which agrees qualitatively with our data. The activation energies of different hydrogen isotopes for surface diffusion were determined. The time constant for dewetting of a quench-condensed T 2 film at the working temperature of 1.86 K of the mainz neutrino mass experiment was extrapolated. (orig.)

Biomimetic hydrogen production

Energy Technology Data Exchange (ETDEWEB)

Krassen, Henning

2009-05-15

Hydrogenases catalyze the reduction of protons to molecular hydrogen with outstanding efficiency. An electrode surface which is covered with active hydrogenase molecules becomes a promising alternative to platinum for electrochemical hydrogen production. To immobilize the hydrogenase on the electrode, the gold surface was modified by heterobifunctional molecules. A thiol headgroup on one side allowed the binding to the gold surface and the formation of a self-assembled monolayer. The other side of the molecules provided a surface with a high affinity for the hydrogenase CrHydA1 from Chlamydomonas reinhardtii. With methylviologen as a soluble energy carrier, electrons were transferred from carboxy-terminated electrodes to CrHydA1 and conducted to the active site (H-cluster), where they reduce protons to molecular hydrogen. A combined approach of surface-enhanced infrared absorption spectroscopy, gas chromatography, and surface plasmon resonance allowed quantifying the hydrogen production on a molecular level. Hydrogen was produced with a rate of 85 mol H{sub 2} min{sup -1} mol{sup -1}. On a 1'- benzyl-4,4'-bipyridinum (BBP)-terminated surface, the electrons were mediated by the monolayer and no soluble electron carrier was necessary to achieve a comparable hydrogen production rate (approximately 50% of the former system). The hydrogen evolution potential was determined to be -335 mV for the BBP-bound hydrogenase and -290 mV for the hydrogenase which was immobilized on a carboxy-terminated mercaptopropionic acid SAM. Therefore, both systems significantly reduce the hydrogen production overpotential and allow electrochemical hydrogen production at an energy level which is close to the commercially applied platinum electrodes (hydrogen evolution potential of -270 mV). In order to couple hydrogen production and photosynthesis, photosystem I (PS1) from Synechocystis PCC 6803 and membrane-bound hydrogenase (MBH) from Ralstonia eutropha were bound to each other

Ranges, Reflection and Secondary Electron Emission for keV Hydrogen Ions Incident on Solid N2

DEFF Research Database (Denmark)

Børgesen, P.; Sørensen, H.; Hao-Ming, Chen

1983-01-01

Ranges were measured for 0.67–3.3 keV/amu hydrogen and deuterium ions in solid N2. Comparisons with similar results for N2-gas confirm the previously observed large phase effect in the stopping cross section. Measurements of the secondary electron emission coefficient for bulk solid N2 bombarded...... by 0.67–9 keV/amu ions also seem to support such a phase effect. It is argued that we may also extract information about the charge state of reflected projectiles....

Key study on the potential of hydrazine bisborane for solid- and liquid-state chemical hydrogen storage.

Science.gov (United States)

Pylypko, Sergii; Petit, Eddy; Yot, Pascal G; Salles, Fabrice; Cretin, Marc; Miele, Philippe; Demirci, Umit B

2015-05-04

Hydrazine bisborane N2H4(BH3)2 (HBB; 16.8 wt %) recently re-emerged as a potential hydrogen storage material. However, such potential is controversial: HBB was seen as a hazardous compound up to 2010, but now it would be suitable for hydrogen storage. In this context, we focused on fundamentals of HBB because they are missing in the literature and should help to shed light on its effective potential while taking into consideration any risk. Experimental/computational methods were used to get a complete characterization data sheet, including, e.g., XRD, NMR, FTIR, Raman, TGA, and DSC. From the reported results and discussion, it is concluded that HBB has potential in the field of chemical hydrogen storage given that both thermolytic and hydrolytic dehydrogenations were analyzed. In solid-state chemical hydrogen storage, it cannot be used in the pristine state (risk of explosion during dehydrogenation) but can be used for the synthesis of derivatives with improved dehydrogenation properties. In liquid-state chemical hydrogen storage, it can be studied for room-temperature dehydrogenation, but this requires the development of an active and selective metal-based catalyst. HBB is a thus a candidate for chemical hydrogen storage.

Moessbauer study of Mg-Ni(Fe) alloys processed as materials for solid state hydrogen storage

Energy Technology Data Exchange (ETDEWEB)

Palade, P.; Principi, G., E-mail: giovanni.principi@unipd.it; Sartori, S.; Maddalena, A. [Universita di Padova, Settore Materiali, DIM (Italy); Lo Russo, S. [Universita di Padova, Dipartimento di Fisica (Italy); Schinteie, G.; Kuncser, V.; Filoti, G. [National Institute for Materials Physics, Solid State Magnetism Department (Romania)

2006-02-15

Mg-Ni-Fe magnesium-rich intermetallic compounds were prepared following two distinct routes. A Mg{sub 88}Ni{sub 11}Fe{sub 1} sample (A) was prepared by melt spinning Mg-Ni-Fe pellets and then by high-energy ball milling for 6 h the obtained ribbons. A (MgH{sub 2}){sub 88}Ni{sub 11}Fe{sub 1} sample (B) was obtained by high-energy ball milling for 20 h a mixture of Ni, Fe and MgH{sub 2} powders in the due proportions. A SPEX8000 shaker mill with a 10:1 ball to powder ratio was used for milling in argon atmosphere. The samples were submitted to repeated hydrogen absorption/desorption cycles in a Sievert type gas-solid reaction controller at temperatures in the range 520 - 590 K and a maximum pressure of 2.5 MPa during absorption. The samples were analysed before and after the hydrogen absorption/desorption cycles by X-ray diffraction and Moessbauer spectroscopy. The results concerning the hydrogen storage properties of the studied compounds are discussed in connection with the micro-structural characteristics found by means of the used analytical techniques. The improved kinetics of hydrogen desorption for sample A, in comparison to sample B, has been ascribed to the different behaviour of iron atoms in the two cases, as proved by Moessbauer spectroscopy. In fact, iron results homogeneously distributed in sample A, partly at the Mg{sub 2}Ni grain boundaries, with catalytic effect on the gas-solid reaction; in sample B, instead, iron is dispersed inside the hydride powder as metallic iron or superparamagnetic iron.

Re-fermentation os spent solids from dark fermentation allows for a substantial increase of hydrogen production from the organic fraction of municipal solid wastes

International Nuclear Information System (INIS)

Munoz-Paez, K. M.; Pareja-Camacho, J.; Rios-Leal, E.; Valdez-Vazquez, I.; Poggi Varaldo, H. M.

2009-01-01

In the last 10 years, interest on bio hydrogen has resurrected, particularly the research on dark fermentation of solid wastes. In effect, in a context of scarce and expensive fossil fuels, hydrogen can be considered the best energy alternative because it can be produced by biological means, it has the highest energy density, it is versatile since can be used both as a primary or secondary energy source, it is compatible with electrochemical and combustion-based energy conversion processes, and it is environmentally-friendly since water is its main combustion product and no aggressive pollutants are generated. (Author)

Re-fermentation os spent solids from dark fermentation allows for a substantial increase of hydrogen production from the organic fraction of municipal solid wastes

Energy Technology Data Exchange (ETDEWEB)

Munoz-Paez, K. M.; Pareja-Camacho, J.; Rios-Leal, E.; Valdez-Vazquez, I.; Poggi Varaldo, H. M.

2009-07-01

In the last 10 years, interest on bio hydrogen has resurrected, particularly the research on dark fermentation of solid wastes. In effect, in a context of scarce and expensive fossil fuels, hydrogen can be considered the best energy alternative because it can be produced by biological means, it has the highest energy density, it is versatile since can be used both as a primary or secondary energy source, it is compatible with electrochemical and combustion-based energy conversion processes, and it is environmentally-friendly since water is its main combustion product and no aggressive pollutants are generated. (Author)

Study of Mg-based materials to be used in a functional solid state hydrogen reservoir for vehicular applications

Energy Technology Data Exchange (ETDEWEB)

Maddalena, Amedeo; Petris, Milo; Palade, Petru; Sartori, Sabrina; Principi, Giovanni [Settore Materiali and CNISM, Dipartimento di Ingegneria Meccanica, Universita di Padova, via Marzolo 9, 35131 Padova (Italy); Settimo, Eliseo [Celco-Profil, via dell' Artigianato 4, 30030 Vigonovo (Venezia) (Italy); Molinas, Bernardo [Venezia Tecnologie, via delle Industrie 39, 30175 Marghera (Venezia) (Italy); Lo Russo, Sergio [Dipartimento di Fisica and CNISM, Universita di Padova, via Marzolo 8, 35131 Padova (Italy)

2006-11-15

Powders mixtures of nanosized MgH{sub 2} and suitable additives, obtained by high energy milling, have been studied as materials to be used in a functional solid state hydrogen reservoir. A prototype of a two stages reservoir is under development (patent pending). The hydrogen release from the main stage, with high capacity Mg-based hydrides, is primed by a primer stage containing commercial hydrides able to operate at room temperature. (author)

Shape-dependent hydrogen-storage properties in Pd nanocrystals: which does hydrogen prefer, octahedron (111) or cube (100)?

Science.gov (United States)

Li, Guangqin; Kobayashi, Hirokazu; Dekura, Shun; Ikeda, Ryuichi; Kubota, Yoshiki; Kato, Kenichi; Takata, Masaki; Yamamoto, Tomokazu; Matsumura, Syo; Kitagawa, Hiroshi

2014-07-23

Pd octahedrons and cubes enclosed by {111} and {100} facets, respectively, have been synthesized for investigation of the shape effect on hydrogen-absorption properties. Hydrogen-storage properties were investigated using in situ powder X-ray diffraction, in situ solid-state (2)H NMR and hydrogen pressure-composition isotherm measurements. With these measurements, it was found that the exposed facets do not affect hydrogen-storage capacity; however, they significantly affect the absorption speed, with octahedral nanocrystals showing the faster response. The heat of adsorption of hydrogen and the hydrogen diffusion pathway were suggested to be dominant factors for hydrogen-absorption speed. Furthermore, in situ solid-state (2)H NMR detected for the first time the state of (2)H in a solid-solution (Pd + H) phase of Pd nanocrystals at rt.

Solid-State Hydrogen Storage

Data.gov (United States)

National Aeronautics and Space Administration — This project will develop a method for converting metals to metal hydrides at low pressures for hydrogen storage systems with high efficiency with respect to volume...

Passivation of hexagonal SiC surfaces by hydrogen termination

International Nuclear Information System (INIS)

Seyller, Thomas

2004-01-01

Surface hydrogenation is a well established technique in silicon technology. It is easily accomplished by wet-chemical procedures and results in clean and unreconstructed surfaces, which are extremely low in charged surface states and stable against oxidation in air, thus constituting an ideal surface preparation. As a consequence, methods for hydrogenation have been sought for preparing silicon carbide (SiC) surfaces with similar well defined properties. It was soon recognized, however, that due to different surface chemistry new ground had to be broken in order to find a method leading to the desired monatomic hydrogen saturation. In this paper the results of H passivation of SiC surfaces by high-temperature hydrogen annealing will be discussed, thereby placing emphasis on chemical, structural and electronic properties of the resulting surfaces. In addition to their unique properties, hydrogenated hexagonal SiC {0001} surfaces offer the interesting possibility of gaining insight into the formation of silicon- and carbon-rich reconstructions as well. This is due to the fact that to date hydrogenation is the only method providing oxygen-free surfaces with a C to Si ratio of 1:1. Last but not least, the electronic properties of hydrogen-free SiC {0001} surfaces will be alluded to. SiC {0001} surfaces are the only known semiconductor surfaces that can be prepared in their unreconstructed (1 x 1) state with one dangling bond per unit cell by photon induced hydrogen desorption. These surfaces give indications of a Mott-Hubbard surface band structure

Quantitative analysis of hydrogen and hydrogen isotopes at the solid surface

International Nuclear Information System (INIS)

Trocellier, P.

2007-01-01

Because of the importance of the effects bound to the hydrogen presence in materials it is particularly important to determine with accuracy the surface and volume distribution of hydrogen. Meanwhile the electronic structure of the hydrogen (one electron) do not allow to use many characterization techniques as the electrons spectroscopies or the X micro analysis. The author presents other possible techniques. (A.L.B.)

Solid NMR characterization of hydrogen solid storage matrices; Caracterisation par RMN du solide des matrices de stockage solide de l'hydrogene

Energy Technology Data Exchange (ETDEWEB)

Pilette, M.A.; Charpentier, T.; Berthault, P. [CEA Saclay, Dept. de Recherche sur l' Etat Condense, les Atomes et les Molecules, Lab. de Structure et Dynamique par Resonance Magnetique Lab. Claude Frejacques - CEA/CNRS URA 331, DSM/DRECAM/SCM, 91 - Gif sur Yvette (France)

2007-07-01

The aim of this work is to develop and validate characterization tools by NMR imagery and spectroscopy of the structure of materials for hydrogen storage, and of their evolution during load/unload cycles. The two main topics of this work are in one hand the analysis of the local structure of the materials and the understanding of their eventual modifications, and in another hand, the in-situ analysis of the distribution and diffusion of hydrogen inside the storage material. (O.M.)

Experimental heat capacity of solid hydrogen as a function of molar volume

International Nuclear Information System (INIS)

Krause, J.K.

1978-01-01

Constant volume heat capacity measurements have been made on six solid hydrogen samples with low orthohydrogen concentrations. The measurements extend from approximately 1.5 K to the melting line, with molar volumes ranging from 22.787 cm 3 /mole to 16.193 cm 3 /mole. Although clustering of the ortho molecules was observed, the low temperature heat capacity anomaly due to the orthohydrogen pairs could be described quite well by the assumption of a fixed distribution. The data were corrected to obtain a lattice heat capacity which on extrapolation to T = 0 yielded Debye temperatures and a volume dependent Grueneisen parameter. A modified Mie-Grueneisen approximation was used to define a volume and temperature dependent Grueneisen parameter which was used to calculate the equation of state, P(V,T), and isothermal bulk modulus, B/sub T/(V,T), for the six isochores. An extrapolation of the equation of state to T = 0 and P = 0 by two different methods yields a molar volume which, when compared with other determinations, gives a recommended value of 23.20 +- 0.05 cm 3 /mole. A rapid increase in the conversion rate of orthohydrogen to parahydrogen was observed at approximately theta/sub o/12. The molar volumes along the melting curve also have been determined directly for the first time in this volume range. These results have been used to show that a low temperature Lindemann melting relation is only approximately valid for solid hydrogen to 50 K

Boron-Based Hydrogen Storage: Ternary Borides and Beyond

Energy Technology Data Exchange (ETDEWEB)

Vajo, John J. [HRL Laboratories, LLC, Malibu, CA (United States)

2016-04-28

DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ≥11 wt% and ≥80 g/L that can deliver hydrogen and be recharged at moderate temperatures (≤100 °C) and pressures (≤100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron-based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slow rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement.

Effect of Li Termination on the Electronic and Hydrogen Storage Properties of Linear Carbon Chains: A TAO-DFT Study

OpenAIRE

Seenithurai, Sonai; Chai, Jeng-Da

2017-01-01

Accurate prediction of the electronic and hydrogen storage properties of linear carbon chains (C n ) and Li-terminated linear carbon chains (Li2C n ), with n carbon atoms (n?=?5?10), has been very challenging for traditional electronic structure methods, due to the presence of strong static correlation effects. To meet the challenge, we study these properties using our newly developed thermally-assisted-occupation density functional theory (TAO-DFT), a very efficient electronic structure meth...

Attachment of polybutadienes to hydrogen-terminated silicon and post-derivatization of the adsorbed species.

Science.gov (United States)

Wickard, Todd D; Nelsen, Emily; Madaan, Nitesh; ten Brummelhuis, Niels; Diehl, Christina; Schlaad, Helmut; Davis, Robert C; Linford, Matthew R

2010-02-02

We report the first attachment of polymers with pendant vinyl groups to hydrogen-terminated silicon(111) (Si(111)-H); 1,2-polybutadiene (M(w) = 3200-3500 g/mol) was attached to Si(111)-H under mild conditions at room temperature with visible light. We also report the partial functionalization, in solution, of 1,2-polybutadiene with various thiols using thiol-ene chemistry and the subsequent attachments of these compounds to Si(111)-H. The partially functionalized or unfunctionalized polybutadienes allow further functionalization at the surface through their unreacted carbon-carbon double bonds. We present this as a useful strategy for silicon surface modification. Surfaces were characterized with contact angle goniometry, spectroscopic ellipsometry, X-ray photoelectron spectroscopy (XPS), time-of-flight secondary ion mass spectrometry (ToF-SIMS), and atomic force microscopy (AFM).

Fractional surface termination of diamond by electrochemical oxidation.

Science.gov (United States)

Hoffmann, René; Obloh, Harald; Tokuda, Norio; Yang, Nianjun; Nebel, Christoph E

2012-01-10

The crystalline form of sp(3)-hybridized carbon, diamond, offers various electrolyte-stable surface terminations. The H-termination-selective attachment of nitrophenyl diazonium, imaged by AFM, shows that electrochemical oxidation can control the fractional hydrogen/oxygen surface termination of diamond on the nanometer scale. This is of particular interest for all applications relying on interfacial electrochemistry, especially for biointerfaces.

Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103

NARCIS (Netherlands)

Callini, Elsa; Aguey-Zinsou, Kondo Francois; Ahuja, Rajeev; Ares, Jos Ramon; Bals, Sara; Biliskov, Nikola; Chakraborty, Sudip; Charalambopoulou, Georgia; Chaudhary, Anna Lisa; Cuevas, Fermin; Dam, Bernard; de Jongh, Petra; Dornheim, Martin; Filinchuk, Yaroslav; Novakovic, Jasmina G.; Hirscher, Michael; Hirscher, M.; Jensen, Torben R.; Jensen, Peter Bjerre; Novakovic, Nikola; Lai, Qiwen; Leardini, Fabrice; Gattia, Daniele Mirabile; Pasquini, Luca; Steriotis, Theodore; Turner, Stuart; Vegge, Tejs; Zuttel, Andreas; Montone, Amelia

2016-01-01

In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated

Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103

DEFF Research Database (Denmark)

Callini, Elsa; Aguey-Zinsou, Kondo-Francois; Ahuja, Rajeev

2016-01-01

In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated...

Analysis of hydrogen content and distribution in hydrogen storage alloys using neutron radiography

International Nuclear Information System (INIS)

Sakaguchi, Hiroki; Hatakeyama, Keisuke; Satake, Yuichi; Esaka, Takao; Fujine, Shigenori; Yoneda, Kenji; Kanda, Keiji

2000-01-01

Small amounts of hydrogen in hydrogen storage alloys, such as Mg 2 Ni, were detected using neutron radiography (NRG). Hydrogen concentrations in a hydrogenated solid solution were determined by this technique. Furthermore, we were able to obtain NRG images for an initial stage of hydrogen absorption in the hydrogen storage alloys. NRG would be a new measurement method to clarify the behavior of hydrogen in hydrogen storage alloys. (author)

Interfacial chemical bonding state and band alignment of CaF2/hydrogen-terminated diamond heterojunction

International Nuclear Information System (INIS)

Liu, J. W.; Liao, M. Y.; Cheng, S. H.; Imura, M.; Koide, Y.

2013-01-01

CaF 2 films are deposited on hydrogen-terminated diamond (H-diamond) by a radio-frequency sputter-deposition technique at room temperature. Interfacial chemical bonding state and band alignment of CaF 2 /H-diamond heterojunction are investigated by X-ray photoelectron spectroscopy. It is confirmed that there are only C-Ca bonds at the CaF 2 /H-diamond heterointerface. Valence and conductance band offsets of the CaF 2 /H-diamond heterojunciton are determined to be 3.7 ± 0.2 and 0.3 ± 0.2 eV, respectively. It shows a type I straddling band configuration. The large valence band offset suggests advantage of the CaF 2 /H-diamond heterojunciton for the development of high power and high frequency field effect transistors.

Anisotropic intermolecular interactions and rotational ordering in hydrogen containing solids. Final report, January 1, 1972--June 30, 1978

International Nuclear Information System (INIS)

White, D.

1978-01-01

Thermodynamic properties, order-disorder phenomena, optical, electric and magnetic properties of hydrogen-containing molecular solids have been investigated. A summary of the findings of this 6 year research program is presented here. The approach in these studies was (a) thermodynamic and transport studies extending to very low temperatures, (b) pulsed NMR studies for determination of structural parameters important to spin-lattice relaxation, and (c) pulsed laser studies for the investigation of excitations and energy transfer mechanisms in solids

NMR studies of hydrogen diffusion in hydrogen uranyl phosphate tetrahydrate (HUP)

International Nuclear Information System (INIS)

Metcalfe, K.

1988-01-01

1 H NMR spin-lattice relaxation times, T 1 (Zeeman) and T 1p (rotating frame) and spin-spin relaxation times, T 2 , and 31 P NMR solid-echoes are reported for phase I and II of hydrogen uranyl phosphate tetrahydrate (HUP) at temperatures in the range 200-323 K. The spectral density functions extracted from the measured relaxation times for phases I and II are consistent with a 2D diffusion mechanism for hydrogen motion. 31 P second moments determined from the solid-echoes show that all the hydrogens diffuse rapidly in phase I, and that the hydrogen-bond site nearest to the phosphate oxygen is not occupied in phase II. The mechanism for diffusion in phase II is discussed. 30 refs.; 6 figs.; 2 tabs

An All-Solid-State pH Sensor Employing Fluorine-Terminated Polycrystalline Boron-Doped Diamond as a pH-Insensitive Solution-Gate Field-Effect Transistor.

Science.gov (United States)

Shintani, Yukihiro; Kobayashi, Mikinori; Kawarada, Hiroshi

2017-05-05

A fluorine-terminated polycrystalline boron-doped diamond surface is successfully employed as a pH-insensitive SGFET (solution-gate field-effect transistor) for an all-solid-state pH sensor. The fluorinated polycrystalline boron-doped diamond (BDD) channel possesses a pH-insensitivity of less than 3mV/pH compared with a pH-sensitive oxygenated channel. With differential FET (field-effect transistor) sensing, a sensitivity of 27 mv/pH was obtained in the pH range of 2-10; therefore, it demonstrated excellent performance for an all-solid-state pH sensor with a pH-sensitive oxygen-terminated polycrystalline BDD SGFET and a platinum quasi-reference electrode, respectively.

Theoretical performance of hydrogen-bromine rechargeable SPE fuel cell. [Solid Polymer Electrolyte

Science.gov (United States)

Savinell, R. F.; Fritts, S. D.

1988-01-01

A mathematical model was formulated to describe the performance of a hydrogen-bromine fuel cell. Porous electrode theory was applied to the carbon felt flow-by electrode and was coupled to theory describing the solid polymer electrolyte (SPE) system. Parametric studies using the numerical solution to this model were performed to determine the effect of kinetic, mass transfer, and design parameters on the performance of the fuel cell. The results indicate that the cell performance is most sensitive to the transport properties of the SPE membrane. The model was also shown to be a useful tool for scale-up studies.

Hydrogen generation due to water splitting on Si - terminated 4H-Sic(0001) surfaces

Science.gov (United States)

Li, Qingfang; Li, Qiqi; Yang, Cuihong; Rao, Weifeng

2018-02-01

The chemical reactions of hydrogen gas generation via water splitting on Si-terminated 4H-SiC surfaces with or without C/Si vacancies were studied by using first-principles. We studied the reaction mechanisms of hydrogen generation on the 4H-SiC(0001) surface. Our calculations demonstrate that there are major rearrangements in surface when H2O approaches the SiC(0001) surface. The first H splitting from water can occur with ground-state electronic structures. The second H splitting involves an energy barrier of 0.65 eV. However, the energy barrier for two H atoms desorbing from the Si-face and forming H2 gas is 3.04 eV. In addition, it is found that C and Si vacancies can form easier in SiC(0001)surfaces than in SiC bulk and nanoribbons. The C/Si vacancies introduced can enhance photocatalytic activities. It is easier to split OH on SiC(0001) surface with vacancies compared to the case of clean SiC surface. H2 can form on the 4H-SiC(0001) surface with C and Si vacancies if the energy barriers of 1.02 and 2.28 eV are surmounted, respectively. Therefore, SiC(0001) surface with C vacancy has potential applications in photocatalytic water-splitting.

Indications of the formation of an oversaturated solid solution during hydrogenation of Mg-Ni based nanocomposite produced by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Guzman, D. [Departamento de Ingenieria en Metalurgia, Facultad de Ingenieria, Universidad de Atacama y Centro Regional de Investigacion y Desarrollo Sustentable de Atacama, CRIDESAT, Av. Copayapu 485, Copiapo (Chile); Ordonez, S. [Departamento de Ingenieria Metalurgica, Facultad de Ingenieria, Universidad de Santiago de Chile, Av. Lib. Bernardo O' Higgins 3363, Santiago (Chile); Fernandez, J.F.; Sanchez, C. [Departamento de Fisica de Materiales, Facultad de Ciencias, Universidad Autonoma de Madrid, Cantoblanco 28049, Madrid (Spain); Serafini, D. [Departamento de Fisica, Facultad de Ciencias, Universidad de Santiago de Chile and Center for Interdisciplinary Research in Materials, CIMAT, Av. Lib. Bernardo O' Higgins 3363, Santiago (Chile); Rojas, P.A. [Escuela de Ingenieria Mecanica, Facultad de Ingenieria, Av. Los Carrera 01567, Quilpue, Pontificia Universidad Catolica de Valparaiso, PUCV (Chile); Aguilar, C. [Instituto de Materiales y Procesos Termomecanicos, Facultad de Ciencias de la Ingenieria, Universidad Austral de Chile, Av. General Lagos 2086, Valdivia (Chile)

2009-07-15

An oversaturated solid solution of H in a nanocomposite material formed mainly by nanocrystalline Mg{sub 2}Ni, some residual nanocrystalline Ni and an Mg rich amorphous phase has been found for the first time. The nanocomposite was produced by mechanical alloying starting from Mg and Ni elemental powders, using a SPEX 8000D mill. The hydriding characterization of the nanocomposite was carried out by solid-gas reaction method in a Sievert's type apparatus. The maximum hydrogen content reached in a period of 21 Ks without prior activation was 2.00 wt.% H under hydrogen pressure of 2 MPa at 363 K. The X-ray diffraction analysis showed the presence of an oversaturated solid solution between nanocrystalline Mg{sub 2}Ni and H without any sign of Mg{sub 2}NiH{sub 4} hydride formation. The dehydriding behaviour was studied by differential scanning calorimetry and thermogravimetry. The results showed the existence of two desorption peaks, the first one associated with the transformation of the oversaturated solid solution into Mg{sub 2}NiH{sub 4}, and the second one with the Mg{sub 2}NiH{sub 4} desorption. (author)

In situ x-ray diffraction study of crystal structure of Pd during hydrogen isotope loading by solid-state electrolysis at moderate temperatures 250−300 °C

Energy Technology Data Exchange (ETDEWEB)

Fukada, Yoshiki, E-mail: yoshiki_fukada@mail.toyota.co.jp [Toyota Motor Corporation, 1200 Mishuku, Susono-shi, Shizuoka-ken, 410-1193 (Japan); Hioki, Tatsumi; Motohiro, Tomoyoshi [Toyota Central R& D Labs.,Inc, 41-1, Yokomichi, Nagakute, Aichi, 480-1192 (Japan); Green Mobility Collaborative Research Center & Graduate School of Engineering Nagoya University, Furo-cho, Chikusa-ku, Nagoya, 464-8603 (Japan); Ohshima, Shigeki [Toyota Central R& D Labs.,Inc, 41-1, Yokomichi, Nagakute, Aichi, 480-1192 (Japan)

2015-10-25

Hydrogen isotopes and metal interaction with respect to Pd under high hydrogen isotope potential at moderate temperature region around 300 °C was studied. A dry electrolysis technique using BaZr{sub 1−x} Y{sub x}O{sub 3} solid state electrolyte was developed to generate high hydrogen isotope potential. Hydrogen or deuterium was loaded into a 200 nm thick Pd cathode. The cathode is deposited on SiO{sub 2} substrate and covered with the solid state electrolyte and a Pd anode layer. Time resolved in situ monochromatic x-ray diffraction measurement was performed during the electrolysis. Two phase states of the Pd cathodes with large and small lattice parameters were observed during the electrolysis. Numerous sub-micron scale voids in the Pd cathode and dendrite-like Pd precipitates in the solid state electrolyte were found from the recovered samples. Hydrogen induced super-abundant-vacancy may take role in those phenomena. The observed two phase states may be attributed to phase separation into vacancy-rich and vacancy-poor states. The voids formed in the Pd cathodes seem to be products of vacancy coalescence. Isotope effects were also observed. The deuterium loaded samples showed more rapid phase changes and more formation of voids than the hydrogen doped samples. - Highlights: • High amount hydrogen loading into Pd by all solid-state electrolysis was performed. • Two phase states with large and small lattice parameters were observed. • Lattice contractions were observed suggesting formations of super-abundant-vacancy. • The absence of mechanical pressure might stimulate the formation of the vacancy. • Sub-micron void formations were found in the Pd from recovered samples.

In situ x-ray diffraction study of crystal structure of Pd during hydrogen isotope loading by solid-state electrolysis at moderate temperatures 250−300 °C

International Nuclear Information System (INIS)

Fukada, Yoshiki; Hioki, Tatsumi; Motohiro, Tomoyoshi; Ohshima, Shigeki

2015-01-01

Hydrogen isotopes and metal interaction with respect to Pd under high hydrogen isotope potential at moderate temperature region around 300 °C was studied. A dry electrolysis technique using BaZr 1−x Y x O 3 solid state electrolyte was developed to generate high hydrogen isotope potential. Hydrogen or deuterium was loaded into a 200 nm thick Pd cathode. The cathode is deposited on SiO 2 substrate and covered with the solid state electrolyte and a Pd anode layer. Time resolved in situ monochromatic x-ray diffraction measurement was performed during the electrolysis. Two phase states of the Pd cathodes with large and small lattice parameters were observed during the electrolysis. Numerous sub-micron scale voids in the Pd cathode and dendrite-like Pd precipitates in the solid state electrolyte were found from the recovered samples. Hydrogen induced super-abundant-vacancy may take role in those phenomena. The observed two phase states may be attributed to phase separation into vacancy-rich and vacancy-poor states. The voids formed in the Pd cathodes seem to be products of vacancy coalescence. Isotope effects were also observed. The deuterium loaded samples showed more rapid phase changes and more formation of voids than the hydrogen doped samples. - Highlights: • High amount hydrogen loading into Pd by all solid-state electrolysis was performed. • Two phase states with large and small lattice parameters were observed. • Lattice contractions were observed suggesting formations of super-abundant-vacancy. • The absence of mechanical pressure might stimulate the formation of the vacancy. • Sub-micron void formations were found in the Pd from recovered samples

Thermally-induced ortho-para conversion anomaly in solid hydrogen under pressure

Energy Technology Data Exchange (ETDEWEB)

Krause, J K; Swenson, C A

1979-01-01

The spontaneous ortho-para conversion rate in solid hydrogen under pressure has been observed to increase by approximately an order of magnitude at temperatures greater than 0.08 theta/sub 0/ and for molar volumes less than 19.7 cm/sup 3/. This effect, which disappears upon cooling below these temperatures, cannot be understood in terms of present theoretical models. The heat capacity experiment (C/sub V/(V,T)) in which these effects were observed gives an equation of state for parahydrogen for pressures less than 2 kbar which agrees with previous high pressure work at 4.2/sup 0/K, and a T=O equilibrium molar volume of 23.20 +- 0.05 cm/sup 3/. 2 figures.

Molecular rotations and diffusion in solids, in particular hydrogen in metals

International Nuclear Information System (INIS)

Springer, T.

1977-01-01

The chapter deals mainly with problems related to physical chemistry. The author treats diffusion in solids, in particular of hydrogen in metals, and studies of molecular rotations, in particular studies of tunneling transitions which is a relatively new and rapidly developing field of high resolution neutron spectroscopy. Typical neutron spectra to be discussed appear in energy ranges of a few 10 -6 to a few 10 -3 eV, or 10 -5 to 10 -2 cm -1 . The discussion is restricted to scattering from the protons which is predominantly incoherent. This means that only the motions, or excitations, of individual protons or protonic groups are discussed, ignoring collective excitations and interference. (HPOE) [de

Recent Progress and New Perspectives on Metal Amide and Imide Systems for Solid-State Hydrogen Storage

Directory of Open Access Journals (Sweden)

Sebastiano Garroni

2018-04-01

Full Text Available Hydrogen storage in the solid state represents one of the most attractive and challenging ways to supply hydrogen to a proton exchange membrane (PEM fuel cell. Although in the last 15 years a large variety of material systems have been identified as possible candidates for storing hydrogen, further efforts have to be made in the development of systems which meet the strict targets of the Fuel Cells and Hydrogen Joint Undertaking (FCH JU and U.S. Department of Energy (DOE. Recent projections indicate that a system possessing: (i an ideal enthalpy in the range of 20–50 kJ/mol H2, to use the heat produced by PEM fuel cell for providing the energy necessary for desorption; (ii a gravimetric hydrogen density of 5 wt. % H2 and (iii fast sorption kinetics below 110 °C is strongly recommended. Among the known hydrogen storage materials, amide and imide-based mixtures represent the most promising class of compounds for on-board applications; however, some barriers still have to be overcome before considering this class of material mature for real applications. In this review, the most relevant progresses made in the recent years as well as the kinetic and thermodynamic properties, experimentally measured for the most promising systems, are reported and properly discussed.

Hydrogen production by electrochemical decomposition of formic acid via solid polymer electrolyte

Energy Technology Data Exchange (ETDEWEB)

Kilic, Ebru Oender [KOSGEB Bursa Business Development Center, Besevler Kucuk Sanayi Sitesi 16149 Nilufer/Bursa (Turkey); Koparal, Ali Savas; Oeguetveren, Uelker Bakir [Anadolu University, Iki Eylul Campus, Applied Research Center for Environmental Problems 26555 Eskisehir (Turkey); Anadolu University, Iki Eylul Campus, Department of Environmental Engineering, 26555 Eskisehir (Turkey)

2009-01-15

The aim of this work is to investigate the feasibility of simultaneous hydrogen production by electrochemical decomposition of formic acid via solid polymer electrolyte (SPE) in an electrochemical reactor. Titanium oxide coated with iridium oxide as anode and carbon fibre with Pt catalyst as cathode were used in the experiments. Effects of applied current density, flow rates and temperature of formic acid solution, concentration of supporting electrolyte and pH of the solution on performance of the process have been investigated. The effect of membrane thickness has also been examined. The results suggest that electrolysis using SPE is a promising method for the treatment of organic pollutants. Hydrogen with purity of 99.999% at ambient temperature by using carbon fibre cathode with Pt catalyst can be produced simultaneously and COD removal efficiency of 95% has been achieved not requiring any chemical addition and temperature increase. Also complete electrochemical oxidation of formic acid at the original pH to CO{sub 2} and H{sub 2}O without production of intermediate has been proved by HPLC analysis. (author)

Hydrogen-terminated diamond vertical-type metal oxide semiconductor field-effect transistors with a trench gate

Energy Technology Data Exchange (ETDEWEB)

Inaba, Masafumi, E-mail: inaba-ma@ruri.waseda.jp; Muta, Tsubasa; Kobayashi, Mikinori; Saito, Toshiki; Shibata, Masanobu; Matsumura, Daisuke; Kudo, Takuya; Hiraiwa, Atsushi [Graduate School of Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555 (Japan); Kawarada, Hiroshi [Graduate School of Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555 (Japan); Kagami Memorial Laboratory for Materials Science and Technology, Waseda University, 2-8-26 Nishiwaseda, Shinjuku, Tokyo 169-0051 (Japan)

2016-07-18

The hydrogen-terminated diamond surface (C-H diamond) has a two-dimensional hole gas (2DHG) layer independent of the crystal orientation. A 2DHG layer is ubiquitously formed on the C-H diamond surface covered by atomic-layer-deposited-Al{sub 2}O{sub 3}. Using Al{sub 2}O{sub 3} as a gate oxide, C-H diamond metal oxide semiconductor field-effect transistors (MOSFETs) operate in a trench gate structure where the diamond side-wall acts as a channel. MOSFETs with a side-wall channel exhibit equivalent performance to the lateral C-H diamond MOSFET without a side-wall channel. Here, a vertical-type MOSFET with a drain on the bottom is demonstrated in diamond with channel current modulation by the gate and pinch off.

Hydrogen charging/discharging system with liquid organic compounds: a lacunar oxide catalyst to hydrogenate the unsaturated organic compound

International Nuclear Information System (INIS)

Jalowiecki-Duhamel, L.; Carpentier, J.; Payen, E.; Heurtaux, F.

2006-01-01

Lacunar mixed oxides based on cerium nickel and aluminium or zirconium CeM 0.5 Ni x O y s (M = Zr or Al), able to store high quantities of hydrogen, have been analysed in the hydrogenation of toluene into methyl-cyclohexane (MCH). When these solids present very good toluene hydrogenation activity and selectivity towards MCH in presence of H 2 , in absence of gaseous hydrogen, the reactive hydrogen species stored in the solid can hydrogenate toluene into MCH. The hydrogenation activity under helium + toluene flow decreases as a function of time and becomes nil. The integration of the curve obtained allows to determine the extractable hydrogen content of the solid used, and a value of 1.2 wt % is obtained at 80 C on a CeAl 0.5 Ni 3 O y compound pre-treated in H 2 at 300 C. To optimise the system, different parameters have been analysed, such as the catalyst formulation, the metal content, the pre-reducing conditions as well as the reaction conditions under helium + toluene. (authors)

A kinetic model of the formation of organic monolayers on hydrogen-terminated silicon by hydrosilation of alkenes.

Science.gov (United States)

Woods, M; Carlsson, S; Hong, Q; Patole, S N; Lie, L H; Houlton, A; Horrocks, B R

2005-12-22

We have analyzed a kinetic model for the formation of organic monolayers based on a previously suggested free radical chain mechanism for the reaction of unsaturated molecules with hydrogen-terminated silicon surfaces (Linford, M. R.; Fenter, P. M.; Chidsey, C. E. D. J. Am. Chem. Soc 1995, 117, 3145). A direct consequence of this mechanism is the nonexponential growth of the monolayer, and this has been observed spectroscopically. In the model, the initiation of silyl radicals on the surface is pseudo first order with rate constant, ki, and the rate of propagation is determined by the concentration of radicals and unreacted Si-H nearest neighbor sites with a rate constant, kp. This propagation step determines the rate at which the monolayer forms by addition of alkene molecules to form a track of molecules that constitute a self-avoiding random walk on the surface. The initiation step describes how frequently new random walks commence. A termination step by which the radicals are destroyed is also included. The solution of the kinetic equations yields the fraction of alkylated surface sites and the mean length of the random walks as a function of time. In mean-field approximation we show that (1) the average length of the random walk is proportional to (kp/ki)1/2, (2) the monolayer surface coverage grows exponentially only after an induction period, (3) the effective first-order rate constant describing the growth of the monolayer and the induction period (kt) is k = (2ki kp)1/2, (4) at long times the effective first-order rate constant drops to ki, and (5) the overall activation energy for the growth kinetics is the mean of the activation energies for the initiation and propagation steps. Monte Carlo simulations of the mechanism produce qualitatively similar kinetic plots, but the mean random walk length (and effective rate constant) is overestimated by the mean field approximation and when kp > ki, we find k approximately ki0.7kp0.3 and Ea = (0.7Ei+ 0.3Ep

Optimising hydrogen bonding in solid wood

DEFF Research Database (Denmark)

Engelund, Emil Tang

2009-01-01

The chemical bonds of wood are both covalent bonds within the wood polymers and hydrogen bonds within and between the polymers. Both types of bonds are responsible for the coherence, strength and stiffness of the material. The hydrogen bonds are more easily modified by changes in load, moisture...... and temperature distorting the internal bonding state. A problem arises when studying hydrogen bonding in wood since matched wood specimens of the same species will have very different internal bonding states. Thus, possible changes in the bonding state due to some applied treatment such as conditioning...... maintaining 100 % moisture content of the wood. The hypothesis was that this would enable a fast stress relaxation as a result of reorganization of bonds, since moisture plasticizes the material and temperature promotes faster kinetics. Hereby, all past bond distortions caused by various moisture, temperature...

Photocatalytic hydrogen production over solid solutions between BiFeO{sub 3} and SrTiO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Lu, Lingwei; Lv, Meilin [Shanghai Key Lab of Chemical Assessment and Sustainability, Department of Chemistry, Tongji University, 1239 Siping Road, Shanghai, 200092 (China); Liu, Gang [Shenyang National laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Science, 72 Wenhua Road, Shenyang 110016 (China); Xu, Xiaoxiang, E-mail: xxxu@tongji.edu.cn [Shanghai Key Lab of Chemical Assessment and Sustainability, Department of Chemistry, Tongji University, 1239 Siping Road, Shanghai, 200092 (China)

2017-01-01

Graphical abstract: We have successfully prepared a series of SrTiO{sub 3}-BiFeO{sub 3} solid solutions. These materials own strong visible light absorption and demonstrate appealing photocatalytic activity under both full range and visible light irradiation. - Highlights: • Band gap values can be tuned by adjusting molar ratios between SrTiO{sub 3} and BiFeO{sub 3}. • Photocatalytic activity is greatly improved after constituting solid solutions. • Photocatalytic activity is influenced by surface area and light absorption. • Fe plays an important role for band gap reduction and catalytic activity. - Abstract: Constituting solid solutions has been an appealing means to gain control over various physicochemical properties. In this work, we synthesized a series of SrTiO{sub 3}-BiFeO{sub 3} solid solutions and systematically explored their structural, optical and photocatalytic properties. Our results show that all solid solutions crystallize in a primitive cubic structure and their band gap values can be easily tuned by adjusting molar ratios between SrTiO{sub 3} and BiFeO{sub 3}. Photocatalytic hydrogen production under both full range and visible light irradiation is greatly improved after forming solid solutions. The highest hydrogen production rate obtained is ∼180 μmol/h under full range irradiation (λ ≥ 250 nm) and ∼4.2 μmol/h under visible light irradiation (λ ≥ 400 nm), corresponding to apparent quantum efficiency ∼2.28% and ∼0.10%, respectively. The activity is found to be strongly influenced by surface area and light absorption. Theoretical calculation suggests that Fe contributes to the formation of spin-polarized bands in the middle of original band gap and is responsible for the band gap reduction and visible light photocatalytic activity.

Reaction of hydrogen atoms produced by radiolysis and photolysis in solid phase at 4 and 77 K

International Nuclear Information System (INIS)

Miyazaki, Tetsuo

1991-01-01

The behavior of H atoms in the solid phase has been reviewed with special attention to comparison of H atoms produced by radiolysis with those produced by photolysis. The paper consists of three parts. I -Production of H atoms: (1) the experimental results which indicate H-atom formation in the radiolysis of solid alkane are summarized; (2) ESR saturation behavior of trapped H atoms depends upon the method of H-atom-production, i.e. photolysis or radiolysis, and upon the initial energy of H atoms in the photolysis. II - Diffusion of H atoms: (1) activation energies for thermally-activated diffusion of H atoms are shown; (2) quantum diffusion of H atoms in solid H 2 is explained in terms of repetition of tunneling reaction H 2 + H → H + H 2 . III -Reaction of H atoms: (1) reactions and trapping processes of hot H atoms have been shown in solid methane and argon by use of hot H atoms with specified initial energy; (2) when H atoms are produced by the radiolysis of solvent alkane or by the photolysis of HI in the alkane mixtures at 77 K, the H atoms react very selectively with solute alkane at low concentration. The selective reaction of the H atom has been found in eight matrices; (3) activation energy for a hydrogen-atom-abstraction reaction by thermal H atoms at low temperatures is less than than several kJ mol -1 because of quantum tunneling. The absolute rate constants for H 2 (D 2 , HD) + H(D) tunneling reactions have been determined experimentally in solid hydrogen at 4.2K; (4) theoretical studies for tunneling reactions H 2 (D 2 ,HD) + H(D) at ultralow temperatures were reviewed. The calculated rate constants were compared with the rate constants obtained experimentally. (author)

Ab initio characterization of coupling strength for all types of dangling-bond pairs on the hydrogen-terminated Si(100)-2 × 1 surface

Science.gov (United States)

Shaterzadeh-Yazdi, Zahra; Sanders, Barry C.; DiLabio, Gino A.

2018-04-01

Recent work has suggested that coupled silicon dangling bonds sharing an excess electron may serve as building blocks for quantum-cellular-automata cells and quantum computing schemes when constructed on hydrogen-terminated silicon surfaces. In this work, we employ ab initio density-functional theory to examine the details associated with the coupling between two dangling bonds sharing one excess electron and arranged in various configurations on models of phosphorous-doped hydrogen-terminated silicon (100) surfaces. Our results show that the coupling strength depends strongly on the relative orientation of the dangling bonds on the surface and on the separation between them. The orientation of dangling bonds is determined by the anisotropy of the silicon (100) surface, so this feature of the surface is a significant contributing factor to variations in the strength of coupling between dangling bonds. The results demonstrate that simple models for approximating tunneling, such as the Wentzel-Kramer-Brillouin method, which do not incorporate the details of surface structure, are incapable of providing reasonable estimates of tunneling rates between dangling bonds. The results provide guidance to efforts related to the development of dangling-bond based computing elements.

Evaluation of pretreatment methods on harvesting hydrogen producing seeds from anaerobic digested organic fraction of municipal solid waste (OFMSW)

Energy Technology Data Exchange (ETDEWEB)

Dong, Li [Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640 (China); Key Laboratory of Renewable Energy and Gas Hydrate, Chinese Academy of Sciences, Guangzhou 510640 (China); Zhenhong, Yuan; Yongming, Sun; Longlong, Ma [Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640 (China)

2010-08-15

In order to harvest high-efficient hydrogen producing seeds, five pretreatment methods (including acid, heat, sonication, aeration and freeze/thawing) were performed on anaerobic digested sludge (AS) which was collected from a batch anaerobic reactor for treating organic fraction of municipal solid waste. The hydrogen production tests were conducted in serum bottles containing 20 gVS/L (24.8 g COD/L) mixture of rice and lettuce powder at 37 C. The experimental results showed that the heat and acid pretreatment completely repressed the methanogenic activity of AS, but acid pretreatment also partially repressed hydrogen production. Sonication, freeze/thawing and aeration did not completely suppress the methanogen activity. The highest hydrogen yields were 119.7, 42.2, 26.0, 23.0, 22.7 and 22.1 mL/gVS for heated, acidified, freeze/thawed, aerated, sonicated and control AS respectively. A pH of about 4.9 was detected at the end of hydrogen producing fermentation for all tests. The selection of an initial pH can markedly affect the hydrogen producing ability for heated and acidified AS. The higher initial pH generated higher hydrogen yield and the highest hydrogen yield was obtained with initial pH 8.9 for heated AS. (author)

Comparison of two anaerobic systems for hydrogen production from the organic fraction of municipal solid waste and synthetic wastewater

Energy Technology Data Exchange (ETDEWEB)

Alzate-Gaviria, Liliana M. [Centro de Investigacion en Energia-UNAM, 62580 Temixco, Morelos (Mexico); Sebastian, P.J. [Centro de Investigacion en Energia-UNAM, 62580 Temixco, Morelos (Mexico); Universidad Politecnica de Chiapas, 29010 Tuxtla Gutierrez, Chiapas (Mexico); Perez-Hernandez, Antonino [Centro de Investigacion en Materiales Avanzados, Miguel de Cervantes 120, Complejo Industrial Chihuahua, Chihuahua 31109 (Mexico); Eapen, D. [Universidad Politecnica de Chiapas, 29010 Tuxtla Gutierrez, Chiapas (Mexico)

2007-10-15

Two laboratory scale anaerobic digestion systems for hydrogen production from organic fraction of municipal solid waste (OFMSW) and synthetic wastewater were compared in this study. One of them was formed by a coupled packed bed reactor (PBR) containing 19.4 L of OFMSW and the other an upflow anaerobic sludge bed (UASB) of 3.85 L. The reactors were inoculated with a mixture of non-anaerobic inocula. In the UASB the percentage of hydrogen yield reached 51% v/v and 127NmLH{sub 2}/gvs removed with a hydraulic retention time (HRT) of 24 h. The concentration of synthetic wastewater in the affluent was 7 g COD/L. For the PBR the percentage yield was 47% v/v and 99NmLH{sub 2}/gvs removed with a mass retention time (MRT) of 50 days and the organic load rate of 16 gvs (Grams Volatile Solids)/(kg-day). The UASB and PBR systems presented maximum hydrogen yields of 30% and 23%, respectively, which correspond to 4molH{sub 2}/mol glucose. These values are similar to those reported in the literature for the hydrogen yield (37%) in mesophilic range. The acetic and butyric acids were present in the effluent as by-products in watery phase. In this work we used non-anaerobic inocula made up of microorganism consortium unlike other works where pure inocula or that from anaerobic sludge was used. (author)

Hydrogen pellet injection device

International Nuclear Information System (INIS)

Kanno, Masahiro.

1992-01-01

In a hydrogen pellet injection device, a nozzle block having a hydrogen gas supply channel is disposed at the inner side of a main cryogenic housing, and an electric resistor is attached to the block. Further, a nozzle block and a hydrogen gas introduction pipe are attached by way of a thermal insulating spacer. Electric current is supplied to the resistor to positively heat the nozzle block and melt remaining solid hydrogen in the hydrogen gas supply channel. Further, the effect of temperature elevation due to the resistor is prevented from reaching the side of the hydrogen gas introduction pipe by the thermal insulation spacer. That is, the temperature of the nozzle block is directly and positively elevated, to melt the solid hydrogen rapidly. Preparation operation from the injection of the hydrogen pellet to the next injection can be completed in a shorter period of time compared with a conventional case thereby enabling to make the test more efficient. Further, only the temperature of the nozzle block is elevated with no effect of temperature elevation due to the resistor to other components by the thermal insulation flange. (N.H.)

A clean measurement of the hydrogen retardation of the rate of solid phase epitaxy in silicon

International Nuclear Information System (INIS)

Liu, A.C.Y.; McCallum, J.C.

1999-01-01

The rate retarding effects of the impurity hydrogen on solid phase epitaxy (SPE) in silicon have yet to be completely understood. Existing measurements of this behaviour do not coincide exactly, however, several features have attained prominence. Firstly, a linear decrease in the SPE rate is detected up until a certain concentration of hydrogen. Subsequent to this point the rate remains almost constant at around half the intrinsic rate. It is conjectured that the hydrogen bonds to and passivates the defects whose agency enables the incorporation of atoms from the amorphous phase to the crystalline. This rate reduction increases until the defect population is saturated. At this point the reduction in rate ceases. Secondly, a dependence on temperature has not been consolidated, in contrast with the trends observed with the doping species. Here a method is proposed for producing a controlled concentration of hydrogen for the advancing amorphous/crystalline interface to encounter during epitaxy. A bubble layer is formed in crystalline silicon approximately 0.6μm beneath the surface through the implantation of hydrogen at 65 keV with fluences of 4 x 10 16 /cm 2 and 3 x 10 16 /cm 2 and annealing for 1 hour at 850 deg C in dry argon. The anneal doesn't out gas all the introduced hydrogen, leaving a remnant gas pressure in the bubbles. The hydrogen implants at the two fluences should yield two samples with different amounts of hydrogen trapped in the bubbles. A buried amorphous layer is created to encompass the bubble layer containing this residual contaminant through silicon self implantation at appropriate energies and fluences. The progress of the front interface of the buried amorphous layer is monitored by time resolved reflectivity (TRR) as SPE is effected at various temperatures

A mechanism for the hydrogen uptake process in zirconium alloys

International Nuclear Information System (INIS)

Cox, B.

1999-01-01

Hydrogen uptake data for thin Zircaloy-2 specimens in steam at 300-400 C have been analysed to show that there is a decrease in the rate of uptake with respect to the rate of oxidation when the terminal solid solubility (TSS) of hydrogen in the metal is exceeded. In order for TSS to be reached during pre-transition oxidation a very thin 0.125 mm Zircaloy sheet was used. The specimens had been pickled initially removing all Zr 2 (Fe/Ni) particles from the initial surfaces, yet the initial hydrogen uptake rates were still much higher than for Zircaloy-4 or a binary Zr/Fe alloy that did not contain phases that dissolve readily during pickling. Cathodic polarisation at room temperature in CuSO 4 solution showed that small cracks or pores formed the cathodic sites in pre-transition oxide films. Some were at pits resulting from the initial dissolution of the Zr 2 (Fe/Ni) phase; others were not; none were at the remaining intermetallics in the original surface. These small cracks are thought to provide the ingress routes for hydrogen. A microscopic steam starvation process at the bottoms of these small cracks or pores, leading to the accumulation of hydrogen adjacent to the oxide/metal interface, and causing breakdown of the passive oxide forming at the bottom of the flaw, is thought to provide the mechanism for the hydrogen uptake process during both pre-transition and post-transition oxidation. (orig.)

Quantitative analysis of hydrogen and hydrogen isotopes at the solid surface; Analyse quantitative de l'hydrogene et de ses isotopes a la surface des solides

Energy Technology Data Exchange (ETDEWEB)

Trocellier, P. [CEA Saclay, Dept. des Materiaux pour le Nucleaire (DEN/DANS/DMN/SEMI), Service de Recherches de Metallurgie Physique, 91 - Gif-sur-Yvette (France)

2007-07-01

Because of the importance of the effects bound to the hydrogen presence in materials it is particularly important to determine with accuracy the surface and volume distribution of hydrogen. Meanwhile the electronic structure of the hydrogen (one electron) do not allow to use many characterization techniques as the electrons spectroscopies or the X micro analysis. The author presents other possible techniques. (A.L.B.)

Hydrogen fuel. Uses

International Nuclear Information System (INIS)

Darkrim-Lamari, F.; Malbrunot, P.

2006-01-01

Hydrogen is a very energetic fuel which can be used in combustion to generate heat and mechanical energy or which can be used to generate electricity and heat through an electrochemical reaction with oxygen. This article deals with the energy conversion, the availability and safety problems linked with the use of hydrogen, and with the socio-economical consequences of a generalized use of hydrogen: 1 - hydrogen energy conversion: hydrogen engines, aerospace applications, fuel cells (principle, different types, domains of application); 2 - hydrogen energy availability: transport and storage (gas pipelines, liquid hydrogen, adsorbed and absorbed hydrogen in solid materials), service stations; 3 - hazards and safety: flammability, explosibility, storage and transport safety, standards and regulations; 4 - hydrogen economy; 5 - conclusion. (J.S.)

Hydrogen Oxidation Reaction at the Ni/YSZ Anode of Solid Oxide Fuel Cells from First Principles

Science.gov (United States)

Cucinotta, Clotilde S.; Bernasconi, Marco; Parrinello, Michele

2011-11-01

By means of ab initio simulations we here provide a comprehensive scenario for hydrogen oxidation reactions at the Ni/zirconia anode of solid oxide fuel cells. The simulations have also revealed that in the presence of water chemisorbed at the oxide surface, the active region for H oxidation actually extends beyond the metal/zirconia interface unraveling the role of water partial pressure in the decrease of the polarization resistance observed experimentally.

A software tool for evaluation of hydrogen ingress in CANDU pressure tubes

International Nuclear Information System (INIS)

Mihalache, Maria; Vasile, Radu; Deaconu, Mariea

2009-01-01

The prediction of hydrogen isotopes concentration into the body and in the rolled joints of operating pressure tubes as a function of reactor hot hours is very important in many fitness-for-service assessments and end of life estimates. The rolled joints are high stress zones with potential for delayed hydride cracking. Predictive models for assessing the long-term deuterium ingress in both body and rolled joint of the pressure tubes have been implemented in a software tool, ROHID, developed in INR-Pitesti. ROHID is a PC-based Windows application with a user-friendly interface that predicts the equivalent hydrogen ingress for Zr-2.5Nb pressure tubes. It uses colour-coded reactor core maps to display the predicted deuterium concentration as a function of time for selected axial locations. Plots of deuterium versus axial location and time for individual pressure tubes are also available. Also, the software tool can predict the exceeding of hydrogen terminal solid solubility (HTSS) from hydrides during precipitation and dissolving processes as a function of time and axial location. (authors)

McPhy-Energy’s proposal for solid state hydrogen storage materials and systems

Energy Technology Data Exchange (ETDEWEB)

Jehan, Michel, E-mail: michel.jehan@mcphy.com [McPhy Energy SA, ZA Retière, 26190 La Motte-Fanjas (France); Fruchart, Daniel, E-mail: daniel.fruchart@grenoble.cnrs.fr [McPhy Energy SA, ZA Retière, 26190 La Motte-Fanjas (France); Institut Néel and CRETA, CNRS, 25 Avenue des Martyrs, BP 166, 38042 Grenoble Cedex 9 (France)

2013-12-15

Highlights: •Mechanical alloying with nano-structurizing highly reactive magnesium metal hydrides particles. •Solid reversible hydrogen storage at scale of kg to tons of hydrogen using MgH{sub 2} composite discs. •Natural Expanded Graphite draining heat of reaction during sorption. •Change Phase Material storing reversibly heat of reaction within tank storage as adiabatic system. •Technology fully adapted for renewable energy storage and network energy peak shavings through H{sub 2}. -- Abstract: The renewable resources related, for instance, to solar energies exhibit two main characteristics. They have no practical limits in regards to the efficiency and their various capture methods. However, their intermittence prevents any direct and immediate use of the resulting power. McPhy-Energy proposes solutions based on water electrolysis for hydrogen generation and storage on reversible metal hydrides to efficiently cover various energy generation ranges from MW h to GW h. Large stationary storage units, based on MgH{sub 2}, are presently developed, including both the advanced materials and systems for a total energy storage from ∼70 to more than 90% efficient. Various designs of MgH{sub 2}-based tanks are proposed, allowing the optional storage of the heat of the Mg–MgH{sub 2} reaction in an adjacent phase changing material. The combination of these operations leads to the storage of huge amounts of hydrogen and heat in our so-called adiabatic-tanks. Adapted to intermittent energy production and consumption from renewable sources (wind, sun, tide, etc.), nuclear over-production at night, or others, tanks distribute energy on demand for local applications (on-site domestic needs, refueling stations, etc.) via turbine or fuel cell electricity production.

Use of nuclear method analysis in ultrahigh vacuum. Application to the hydrogen dosage in solids

International Nuclear Information System (INIS)

Chartoire, M.

1982-01-01

It is possible to determine hydrogen by the 1 H( 15 N,αγ) 12 C nuclear reaction, in an ultra-high vacuum and with sample temperature monitoring, without reducing the detection efficiency of the γ rays emitted. This method is sensitive on the surface of the samples as well as in the core. Further, its resolution in depth on the surface is less than 50 x 10 -4 μm for elements with an atomic number above that of silicon. This surface analysis technique competes with and supplements the performance of the Auger and ESCA spectrometries. The cooling or heating of the samples in-situ from -150 0 C to +450 0 C enables an initial approach to be made to the phenomena of adsorption of the hydrogenated species on the surface of the samples. The possibility of plotting concentration profiles to depths of around a micrometer, also provides a means for studying the sorption of hydrogen in solids. The importance is brought to light of the quality of the residual vacuum and mainly of the partial steam pressure in the curves showing the change in the concentration of surface contamination hydrogen according to the quantity of incident ions. At temperatures above 300 0 C, the radiolysis and desorption phenomena of the species thus created become very significant. These were obtained only by making a study in greater depth of the validity conditions of the model used for describing the effusion of hydrogen under the analytical beam [fr

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

Energy Technology Data Exchange (ETDEWEB)

Susan M. Kauzlarich; Phillip P. Power; Doinita Neiner; Alex Pickering; Eric Rivard; Bobby Ellis, T. M.; Atkins, A. Merrill; R. Wolf; Julia Wang

2010-09-05

The focus of the project was to design and synthesize light element compounds and nanomaterials that will reversibly store molecular hydrogen for hydrogen storage materials. The primary targets investigated during the last year were amine and hydrogen terminated silicon (Si) nanoparticles, Si alloyed with lighter elements (carbon (C) and boron (B)) and boron nanoparticles. The large surface area of nanoparticles should facilitate a favorable weight to volume ratio, while the low molecular weight elements such as B, nitrogen (N), and Si exist in a variety of inexpensive and readily available precursors. Furthermore, small NPs of Si are nontoxic and non-corrosive. Insights gained from these studies will be applied toward the design and synthesis of hydrogen storage materials that meet the DOE 2010 hydrogen storage targets: cost, hydrogen capacity and reversibility. Two primary routes were explored for the production of nanoparticles smaller than 10 nm in diameter. The first was the reduction of the elemental halides to achieve nanomaterials with chloride surface termination that could subsequently be replaced with amine or hydrogen. The second was the reaction of alkali metal Si or Si alloys with ammonium halides to produce hydrogen capped nanomaterials. These materials were characterized via X-ray powder diffraction, TEM, FTIR, TG/DSC, and NMR spectroscopy.

Development of a Novel Efficient Solid-Oxide Hybrid for Co-generation of Hydrogen and Electricity Using Nearby Resources for Local Application

Energy Technology Data Exchange (ETDEWEB)

Tao, Greg, G.; Virkar, Anil, V.; Bandopadhyay, Sukumar; Thangamani, Nithyanantham; Anderson, Harlan, U.; Brow, Richard, K.

2009-06-30

Developing safe, reliable, cost-effective, and efficient hydrogen-electricity co-generation systems is an important step in the quest for national energy security and minimized reliance on foreign oil. This project aimed to, through materials research, develop a cost-effective advanced technology cogenerating hydrogen and electricity directly from distributed natural gas and/or coal-derived fuels. This advanced technology was built upon a novel hybrid module composed of solid-oxide fuel-assisted electrolysis cells (SOFECs) and solid-oxide fuel cells (SOFCs), both of which were in planar, anode-supported designs. A SOFEC is an electrochemical device, in which an oxidizable fuel and steam are fed to the anode and cathode, respectively. Steam on the cathode is split into oxygen ions that are transported through an oxygen ion-conducting electrolyte (i.e. YSZ) to oxidize the anode fuel. The dissociated hydrogen and residual steam are exhausted from the SOFEC cathode and then separated by condensation of the steam to produce pure hydrogen. The rationale was that in such an approach fuel provides a chemical potential replacing the external power conventionally used to drive electrolysis cells (i.e. solid oxide electrolysis cells). A SOFC is similar to the SOFEC by replacing cathode steam with air for power generation. To fulfill the cogeneration objective, a hybrid module comprising reversible SOFEC stacks and SOFC stacks was designed that planar SOFECs and SOFCs were manifolded in such a way that the anodes of both the SOFCs and the SOFECs were fed the same fuel, (i.e. natural gas or coal-derived fuel). Hydrogen was produced by SOFECs and electricity was generated by SOFCs within the same hybrid system. A stand-alone 5 kW system comprising three SOFEC-SOFC hybrid modules and three dedicated SOFC stacks, balance-of-plant components (including a tailgas-fired steam generator and tailgas-fired process heaters), and electronic controls was designed, though an overall

Enhanced catalytic hydrogenation activity of Ni/reduced graphene oxide nanocomposite prepared by a solid-state method

Science.gov (United States)

Li, Yizhao; Cao, Yali; Jia, Dianzeng

2018-01-01

A simple solid-state method has been applied to synthesize Ni/reduced graphene oxide (Ni/rGO) nanocomposite under ambient condition. Ni nanoparticles with size of 10-30 nm supported on reduced graphene oxide (rGO) nanosheets are obtained through one-pot solid-state co-reduction among nickel chloride, graphene oxide, and sodium borohydride. The Ni/rGO nanohybrid shows enhanced catalytic activity toward the reduction of p-nitrophenol (PNP) into p-aminophenol compared with Ni nanoparticles. The results of kinetic research display that the pseudo-first-order rate constant for hydrogenation reaction of PNP with Ni/rGO nanocomposite is 7.66 × 10-3 s-1, which is higher than that of Ni nanoparticles (4.48 × 10-3 s-1). It also presents superior turnover frequency (TOF, 5.36 h-1) and lower activation energy ( E a, 29.65 kJ mol-1) in the hydrogenation of PNP with Ni/rGO nanocomposite. Furthermore, composite catalyst can be magnetically separated and reused for five cycles. The large surface area and high electron transfer property of rGO support are beneficial for good catalytic performance of Ni/rGO nanocomposite. Our study demonstrates a simple approach to fabricate metal-rGO heterogeneous nanostructures with advanced functions.

Dominance of hole-boring radiation pressure acceleration regime with thin ribbon of ionized solid hydrogen

Science.gov (United States)

Psikal, J.; Matys, M.

2018-04-01

Laser-driven proton acceleration from novel cryogenic hydrogen target of the thickness of tens of microns irradiated by multiPW laser pulse is investigated here for relevant laser parameters accessible in near future. It is demonstrated that the efficiency of proton acceleration from relatively thick hydrogen solid ribbon largely exceeds the acceleration efficiency for a thinner ionized plastic foil, which can be explained by enhanced hole boring (HB) driven by laser ponderomotive force in the case of light ions and lower target density. Three-dimensional particle-in-cell (PIC) simulations of laser pulse interaction with relatively thick hydrogen target show larger energies of protons accelerated in the target interior during the HB phase and reduced energies of protons accelerated from the rear side of the target by quasistatic electric field compared with the results obtained from two-dimensional PIC calculations. Linearly and circularly polarized multiPW laser pulses of duration exceeding 100 fs show similar performance in terms of proton acceleration from both the target interior as well as from the rear side of the target. When ultrashort pulse (∼30 fs) is assumed, the number of accelerated protons from the target interior is substantially reduced.

Operating Point Optimization of a Hydrogen Fueled Hybrid Solid Oxide Fuel Cell-Steam Turbine (SOFC-ST Plant

Directory of Open Access Journals (Sweden)

Juanjo Ugartemendia

2013-09-01

Full Text Available This paper presents a hydrogen powered hybrid solid oxide fuel cell-steam turbine (SOFC-ST system and studies its optimal operating conditions. This type of installation can be very appropriate to complement the intermittent generation of renewable energies, such as wind generation. A dynamic model of an alternative hybrid SOFC-ST configuration that is especially suited to work with hydrogen is developed. The proposed system recuperates the waste heat of the high temperature fuel cell, to feed a bottoming cycle (BC based on a steam turbine (ST. In order to optimize the behavior and performance of the system, a two-level control structure is proposed. Two controllers have been implemented for the stack temperature and fuel utilization factor. An upper supervisor generates optimal set-points in order to reach a maximal hydrogen efficiency. The simulation results obtained show that the proposed system allows one to reach high efficiencies at rated power levels.

Effects of pH and hydraulic retention time on hydrogen production versus methanogenesis during anaerobic fermentation of organic household solid waste under extreme-thermophilic temperature (70ºC)

DEFF Research Database (Denmark)

Liu, Dawei; Zeng, Raymond Jianxiong; Angelidaki, Irini

2008-01-01

Two continuously stirred tank reactors were operated with household solid waste at 70°C, for hydrogen and methane production. The individual effect of hydraulic retention time (HRT as 1, 2, 3, 4, and 6 days) at pH 7 or pH (5, 5.5, 6, 6.5, 7) at 3-day HRT was investigated on the hydrogen production...... versus methanogenesis. It was found that at pH 7, the maximum hydrogen yield was 107 mL-H2/g VSadded (volatile solid added) but no stable hydrogen production was obtained as after some time methanogenesis was initiated at all tested HRTs. This demonstrated that sludge retention time alone was not enough...... for washing out the methanogens at pH 7 under extreme-thermophilic conditions. Oppositely, we showed that keeping the pH level at 5.5 was enough to inhibit methane and produce hydrogen stably at 3-day HRT. However, the maximum stable hydrogen yield was low at 21 mL-H2/g VSadded. Biotechnol. Bioeng. 2008...

Destructive hydrogenation. [British patent

Energy Technology Data Exchange (ETDEWEB)

1929-07-15

Liquid or readily liquefiable products are obtained from solid distillable carbonaceous materials such as coals, oil shales or other bituminous substances by subjecting the said initial materials to destructive hydrogenation under mild conditions so that the formation of benzine is substantially avoided, and then subjecting the treated material to extraction by solvents. By hydrogenating under mild conditions the heavy oils which prevent the asphaltic substances from being precipitated are preserved, and the separation of the liquid products from the solid residue is facilitated. Solid paraffins and high boiling point constituents suitable for the production of lubricating oils may be removed before or after the extraction process. The extraction is preferably carried out under pressure with solvents which do not precipitate asphaltic substances. Brown coal containing 11 per cent ash is passed at 450/sup 0/C, and 200 atmospheres pressure in counter current to hydrogen; 40 per cent of the coal is converted into liquid products which are condensed out of the hydrogen stream; the pasty residue, on extraction with benzene, yields 45 per cent of high molecular weight products suitable for the production of lubricating oil.

Properties of solid polymer electrolyte fluorocarbon film. [used in hydrogen/oxygen fuel cells

Science.gov (United States)

Alston, W. B.

1973-01-01

The ionic fluorocarbon film used as the solid polymer electrolyte in hydrogen/oxygen fuel cells was found to exhibit delamination failures. Polarized light microscopy of as-received film showed a lined region at the center of the film thickness. It is shown that these lines were not caused by incomplete saponification but probably resulted from the film extrusion process. The film lines could be removed by an annealing process. Chemical, physical, and tensile tests showed that annealing improved or sustained the water contents, spectral properties, thermo-oxidative stability, and tensile properties of the film. The resistivity of the film was significantly decreased by the annealing process.

Hydrogen as a New Alloying Element in Metals

International Nuclear Information System (INIS)

Shapovalov, Vladimir

1999-01-01

Hydrogen was regarded as a harmful impurity in many alloys and particularly in steels where it gives rise to a specific type of embrittlement and forms various discontinuities like flakes and blowholes. For this reason, the researcher efforts were mainly focused on eliminating hydrogen's negative impacts and explaining its uncommonly high diffusivity in condensed phases. Meanwhile, positive characteristics of hydrogen as an alloying element remained unknown for quite a long time. Initial reports in this field did not appear before the early 1970s. Data on new phase diagrams are given for metal-hydrogen systems where the metal may or may not form hydrides. Various kinds of hydrogen impact on structure formation in solidification, melting and solid-solid transformations are covered. Special attention is given to the most popular alloys based on iron, aluminum, copper, nickel, magnesium and titanium. Detailed is what is called gas-eutectic reaction resulting in a special type of gas-solid structure named gasarite. Properties and applications of gasars - gasaritic porous materials - are dealt with. Various versions of solid-state alloying with hydrogen are discussed that change physical properties and fabrication characteristics of metals. Details are given on a unique phenomenon of anomalous spontaneous deformation due to combination of hydrogen environment and polymorphic transformation. All currently known versions of alloying with hydrogen are categorized for both hydride-forming and non-hydrid forming metals

Hydrogen at extreme pressures (Review Article)

International Nuclear Information System (INIS)

Goncharov, Alexander F.; Howie, Ross T.; Gregoryanz Eugene

2013-01-01

Here we review recent experimental and theoretical studies of hydrogen approaching metallization regime. Experimental techniques have made great advances over the last several years making it possible to reach previously unachievable conditions of pressure and temperature and to probe hydrogen at these conditions. Theoretical methods have also greatly improved; exemplified through the prediction of new structural and ordered quantum states. Recently, a new solid phase of hydrogen, phase IV, has been discovered in a high-pressure high-temperature domain. This phase is quite unusual structurally and chemically as it represents an intermediate state between common molecular and monatomic configurations. Moreover, it shows remarkable fluxional characteristics related to its quantum nature, which makes it unique among the solid phases, even of light elements. However, phase IV shows the presence of a band gap and exhibits distinct phonon and libron characteristic of classical solids. The quantum behavior of hydrogen in the limit of very high pressure remains an open question. Prospects of studying hydrogen at more extreme conditions by static and combined static-dynamic methods are also presented.

Probing the Conformation of an IgG1 Monoclonal Antibody in Lyophilized Solids Using Solid-State Hydrogen-Deuterium Exchange with Mass Spectrometric Analysis (ssHDX-MS).

Science.gov (United States)

Moussa, Ehab M; Singh, Satish K; Kimmel, Michael; Nema, Sandeep; Topp, Elizabeth M

2018-02-05

Therapeutic proteins are often formulated as lyophilized products to improve their stability and prolong shelf life. The stability of proteins in the solid-state has been correlated with preservation of native higher order structure and/or molecular mobility in the solid matrix, with varying success. In the studies reported here, we used solid-state hydrogen-deuterium exchange with mass spectrometric analysis (ssHDX-MS) to study the conformation of an IgG1 monoclonal antibody (mAb) in lyophilized solids and related the extent of ssHDX to aggregation during storage in the solid phase. The results demonstrate that the extent of ssHDX correlated better with aggregation rate during storage than did solid-state Fourier-transform infrared (ssFTIR) spectroscopic measurements. Interestingly, adding histidine to sucrose at different formulation pH conditions decreased aggregation of the mAb, an effect that did not correlate with structural or conformational changes as measured by ssFTIR or ssHDX-MS. Moreover, peptide-level ssHDX-MS analysis in four selected formulations demonstrated global changes across the structure of the mAb when lyophilized with sucrose, trehalose, or mannitol, whereas site-specific changes were observed when lyophilized with histidine as the sole excipient.

Combined Solid State and High Pressure Hydrogen Storage

DEFF Research Database (Denmark)

Grube, Elisabeth; Jensen, Torben René

Presented at The First European Early Stage Researcher's Conference on Hydrogen Storage in Belgrade, Serbia.......Presented at The First European Early Stage Researcher's Conference on Hydrogen Storage in Belgrade, Serbia....

Sustainable hydrogen production

Energy Technology Data Exchange (ETDEWEB)

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

1996-01-01

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

Effective hydrogen diffusion coefficient for solidifying aluminium alloys

International Nuclear Information System (INIS)

Felberbaum, M.; Landry-Desy, E.; Weber, L.; Rappaz, M.

2011-01-01

An effective hydrogen diffusion coefficient has been calculated for two solidifying Al - 4.5 wt.% Cu and Al - 10 wt.% Cu alloys as a function of the volume fraction of solid. For this purpose, in situ X-ray tomography was performed on these alloys. For each volume fraction of solid between 0.6 and 0.9, a representative volume element of the microstructure was extracted. Solid and liquid voxels were assimilated to solid and liquid nodes in order to solve the hydrogen diffusion equation based on the chemical potential and using a finite volume formulation. An effective hydrogen diffusion coefficient based on the volume fraction of solid only could be deduced from the results of the numerical model at steady state. The results are compared with various effective medium theories.

Hydrogen Production from Water by Photolysis, Sonolysis and Sonophotolysis with Solid Solutions of Rare Earth, Gallium and Indium Oxides as Heterogeneous Catalysts

Directory of Open Access Journals (Sweden)

Marta Penconi

2015-07-01

Full Text Available In this work, we present the hydrogen production by photolysis, sonolysis and sonophotolysis of water in the presence of newly synthesized solid solutions of rare earth, gallium and indium oxides playing as catalysts. From the experiments of photolysis, we found that the best photocatalyst is the solid solution Y0.8Ga0.2InO3 doped by sulphur atoms. In experiments of sonolysis, we optimized the rate of hydrogen production by changing the amount of water, adding ethanol and tuning the power of our piezoelectric transducer. Finally, we performed sonolysis and sonophotolysis experiments in the presence of S:Y0.8Ga0.2InO3 finding a promising synergistic effect of UV-visible electromagnetic waves and 38 kHz ultrasound waves in producing H2.

[Solid state isotope hydrogen exchange for deuterium and tritium in human gene-engineered insulin].

Science.gov (United States)

Zolotarev, Yu A; Dadayan, A K; Kozik, V S; Gasanov, E V; Nazimov, I V; Ziganshin, R Kh; Vaskovsky, B V; Murashov, A N; Ksenofontov, A L; Haribin, O N; Nikolaev, E N; Myasoedov, N F

2014-01-01

The reaction of high temperature solid state catalytic isotope exchange in peptides and proteins under the action of catalyst-activated spillover hydrogen was studied. The reaction of human gene-engineered insulin with deuterium and tritium was conducted at 120-140° C to produce insulin samples containing 2-6 hydrogen isotope atoms. To determine the distribution of the isotope label over tritium-labeled insulin's amino acid residues, oxidation of the S-S bonds of insulin by performic acid was performed and polypeptide chains isolated; then their acid hydrolysis, amino acid analysis and liquid scintillation counts of tritium in the amino acids were conducted. The isotope label was shown to be incorporated in all amino acids of the protein, with the peptide fragment FVNQHLCGSHLVE of the insulin β-chain showing the largest incorporation. About 45% of the total protein isotope label was incorporated in His5 and His10 of this fragment. For the analysis of isotope label distribution in labeled insulin's peptide fragments, the recovery of the S-S bonds by mercaptoethanol, the enzymatic hydrolysis by glutamyl endopeptidase from Bacillus intermedius and HPLC division of the resulting peptides were carried out. Attribution of the peptide fragments formed due to hydrolysis at the Glu-X bond in the β-chain was accomplished by mass spectrometry. Mass spectrometry analysis data of the deuterium-labeled insulin samples' isotopomeric composition showed that the studied solid state isotope exchange reaction equally involved all the protein molecules. Biological studying of tritium-labeled insulin showed its physiological activity to be completely retained.

Thin-thick hydrogen target for nuclear physics

Energy Technology Data Exchange (ETDEWEB)

Gheller, J.-M.; Juster, F.-P.; Authelet, G. [CEA Saclay, Irfu/SACM, F-91191 Gif-Sur-Yvette cedex (France); Vinyar, I. [PELIN Limited Liability Company 27 A, Gzhatskaya Str, office 103 St. Petersbourg 195220 (Russian Federation); Relland, J. [CEA Saclay, Irfu/SIS, F-91191 Gif-Sur-Yvette cedex (France); Commeaux, C. [Institut de Physique Nucléaire, campus Universitaire-Bat 103, 91406 Orsay cedex (France)

2014-01-29

In spectroscopic studies of unstable nuclei, hydrogen targets are of key importance. The CHyMENE Project aims to provide to the nuclear physics community a thin and pure solid windowless hydrogen or deuterium target. CHyMENE project must respond to this request for the production of solid Hydrogen. The solid hydrogen target is produced in a continuous flow (1 cm/s) by an extrusion technique (developed with the PELIN laboratory) in a vacuum chamber. The shape of the target is determined by the design of the nozzle at the extrusion process. For the purpose, the choice is a rectangular shape with a width of 10 mm and a thickness in the range of 30-50 microns necessary for the physics objectives. The cryostat is equipped with a GM Cryocooler with sufficient power for the solidification of the hydrogen in the lower portion of the extruder. In the higher part of the cryostat, the hydrogen gas is first liquefied and partially solidified. It is then compressed at 100 bars in the cooled extruder before expulsion of the film through the nozzle at the center of the reaction vacuum chamber. After the previous step, the solid hydrogen ribbon falls by gravity into a dedicated chamber where it sublimes and the gas is pumped and evacuated in a exhaust line. This paper deals with the design of the cryostat with its equipment, with the sizing of the thermal bridge (Aluminum and copper), with the results regarding the contact resistance as well as with the vacuum computations of the reaction and recovery hydrogen gas chambers.

Treatment and storage of hydrogen isotopes

International Nuclear Information System (INIS)

Jung, H. S.; Lee, H. S.; An, D. H.; Kim, K. R.; Lee, S. H.; Choi, H. J.; Back, S. W.; Kang, H. S.; Eom, K. Y.; Lee, M. S.

2000-01-01

Storage of gaseous hydrogen isotopes in a cylinder is a well-established technology. However, Immobilization in the solid form is preferred for long-term storage of radioactive isotope gas because of the concern for leakage of the gas. The experimental thermodynamic p-c-T data show that Ti and U soak up hydrogen isotope gas at a temperature of a few hundred .deg. C and modest pressures. It was found that more hydrogen is dissolved in the metal than deuterium at constant pressure. Thus, the lighter isotope tends to be enriched in the solid phase

The thermodynamics and kinetics of interstitial solid solutions

International Nuclear Information System (INIS)

Silva, J.R.G. da.

1976-04-01

Studies of hydrogen metal systems where the hidrogen is disolved in a solid solution are presented. Particular items of interest are: the thermodynamics of the hydrogen-iron system; the solubility of hidrogen in super pure iron single crytals; the thermodinamic functions of hydrogen in solid solutions of Nb, Ta and V; and the solubility of hydrogen in α-manganese. The diffusion of carbon and nitrogen in BCC iron is also studied

Osteogenic cell differentiation on H-terminated and O-terminated nanocrystalline diamond films

Directory of Open Access Journals (Sweden)

Liskova J

2015-01-01

Full Text Available Jana Liskova,1 Oleg Babchenko,2 Marian Varga,2 Alexander Kromka,2 Daniel Hadraba,1 Zdenek Svindrych,1 Zuzana Burdikova,1 Lucie Bacakova1 1Institute of Physiology, Academy of Sciences of the Czech Republic, Prague, Czech Republic; 2Institute of Physics, Academy of Sciences of the Czech Republic, Prague, Czech Republic Abstract: Nanocrystalline diamond (NCD films are promising materials for bone implant coatings because of their biocompatibility, chemical resistance, and mechanical hardness. Moreover, NCD wettability can be tailored by grafting specific atoms. The NCD films used in this study were grown on silicon substrates by microwave plasma-enhanced chemical vapor deposition and grafted by hydrogen atoms (H-termination or oxygen atoms (O-termination. Human osteoblast-like Saos-2 cells were used for biological studies on H-terminated and O-terminated NCD films. The adhesion, growth, and subsequent differentiation of the osteoblasts on NCD films were examined, and the extracellular matrix production and composition were quantified. The osteoblasts that had been cultivated on the O-terminated NCD films exhibited a higher growth rate than those grown on the H-terminated NCD films. The mature collagen fibers were detected in Saos-2 cells on both the H-terminated and O-terminated NCD films; however, the quantity of total collagen in the extracellular matrix was higher on the O-terminated NCD films, as were the amounts of calcium deposition and alkaline phosphatase activity. Nevertheless, the expression of genes for osteogenic markers – type I collagen, alkaline phosphatase, and osteocalcin – was either comparable on the H-terminated and O-terminated films or even lower on the O-terminated films. In conclusion, the higher wettability of the O-terminated NCD films is promising for adhesion and growth of osteoblasts. In addition, the O-terminated surface also seems to support the deposition of extracellular matrix proteins and extracellular matrix

Carbon Dioxide-Free Hydrogen Production with Integrated Hydrogen Separation and Storage.

Science.gov (United States)

Dürr, Stefan; Müller, Michael; Jorschick, Holger; Helmin, Marta; Bösmann, Andreas; Palkovits, Regina; Wasserscheid, Peter

2017-01-10

An integration of CO 2 -free hydrogen generation through methane decomposition coupled with hydrogen/methane separation and chemical hydrogen storage through liquid organic hydrogen carrier (LOHC) systems is demonstrated. A potential, very interesting application is the upgrading of stranded gas, for example, gas from a remote gas field or associated gas from off-shore oil drilling. Stranded gas can be effectively converted in a catalytic process by methane decomposition into solid carbon and a hydrogen/methane mixture that can be directly fed to a hydrogenation unit to load a LOHC with hydrogen. This allows for a straight-forward separation of hydrogen from CH 4 and conversion of hydrogen to a hydrogen-rich LOHC material. Both, the hydrogen-rich LOHC material and the generated carbon on metal can easily be transported to destinations of further industrial use by established transport systems, like ships or trucks. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Probing hydrogen bonds in the antibody-bound HIV-1 gp120 V3 loop by solid state NMR REDOR measurements

Energy Technology Data Exchange (ETDEWEB)

Balbach, John J. [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States); Yang Jun; Weliky, David P. [Michigan State University, Department of Chemistry (United States); Steinbach, Peter J. [National Institutes of Health, Center for Molecular Modeling, Center for Information Technology (United States); Tugarinov, Vitali; Anglister, Jacob [Weizmann Institute of Science, Department of Structural Biology (Israel); Tycko, Robert [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)

2000-04-15

We describe solid state NMR measurements on frozen solutions of the complex of the 24-residue HIV-1 gp120 V3 loop peptide RP135 with the Fab fragment of the anti-gp120 antibody 0.5{beta}, using rotational echo double resonance (REDOR). In order to probe possible hydrogen bonding between arginine side chains and glycine backbone carbonyls in the region of the conserved Gly-Pro-Gly-Arg (GPGR) motif of the V3 loop, RP135 samples were prepared with {sup 15}N labels at the {eta} nitrogen positions of arginine side chains and {sup 13}C labels at glycine carbonyl positions and {sup 13}C-detected {sup 13}C-{sup 15}N REDOR measurements were performed on peptide/antibody complexes of these labeled samples. Such hydrogen bonding was previously observed in a crystal structure of the V3 loop peptide/antibody complex RP142/59.1 [Ghiara et al. (1994) Science, 264, 82-85], but is shown by the REDOR measurements to be absent in the RP135/0.5{beta} complex. These results confirm the antibody-dependent conformational differences in the GPGR motif suggested by previously reported solid state NMR measurements of {phi} and {psi} backbone dihedral angles in the RP135/0.5{beta} complex. In addition, we describe REDOR measurements on the helical synthetic peptide MB(i+4)EK in frozen solution that establish our ability to detect {sup 13}C-{sup 15}N dipole-dipole couplings in the distance range appropriate to these hydrogen bonding studies. We also report the results of molecular modeling calculations on the central portion RP135, using a combination of the solid state NMR restraints of Weliky et al. [Nat. Struct. Biol., 6, 141-145, 1999] and the liquid state NMR restraints of Tugarinov et al. (Nat. Struct. Biol., 6, 331-335, 1999]. The dynamics calculations demonstrate the mutual compatibility of the two sets of experimental structural restraints and reduce ambiguities in the solid state NMR restraints that result from symmetry and signal-to-noise considerations.

Probing hydrogen bonds in the antibody-bound HIV-1 gp120 V3 loop by solid state NMR REDOR measurements

International Nuclear Information System (INIS)

Balbach, John J.; Yang Jun; Weliky, David P.; Steinbach, Peter J.; Tugarinov, Vitali; Anglister, Jacob; Tycko, Robert

2000-01-01

We describe solid state NMR measurements on frozen solutions of the complex of the 24-residue HIV-1 gp120 V3 loop peptide RP135 with the Fab fragment of the anti-gp120 antibody 0.5β, using rotational echo double resonance (REDOR). In order to probe possible hydrogen bonding between arginine side chains and glycine backbone carbonyls in the region of the conserved Gly-Pro-Gly-Arg (GPGR) motif of the V3 loop, RP135 samples were prepared with 15 N labels at the η nitrogen positions of arginine side chains and 13 C labels at glycine carbonyl positions and 13 C-detected 13 C- 15 N REDOR measurements were performed on peptide/antibody complexes of these labeled samples. Such hydrogen bonding was previously observed in a crystal structure of the V3 loop peptide/antibody complex RP142/59.1 [Ghiara et al. (1994) Science, 264, 82-85], but is shown by the REDOR measurements to be absent in the RP135/0.5β complex. These results confirm the antibody-dependent conformational differences in the GPGR motif suggested by previously reported solid state NMR measurements of φ and Ψ backbone dihedral angles in the RP135/0.5β complex. In addition, we describe REDOR measurements on the helical synthetic peptide MB(i+4)EK in frozen solution that establish our ability to detect 13 C- 15 N dipole-dipole couplings in the distance range appropriate to these hydrogen bonding studies. We also report the results of molecular modeling calculations on the central portion RP135, using a combination of the solid state NMR restraints of Weliky et al. [Nat. Struct. Biol., 6, 141-145, 1999] and the liquid state NMR restraints of Tugarinov et al. (Nat. Struct. Biol., 6, 331-335, 1999]. The dynamics calculations demonstrate the mutual compatibility of the two sets of experimental structural restraints and reduce ambiguities in the solid state NMR restraints that result from symmetry and signal-to-noise considerations

Measurement of backbone hydrogen-deuterium exchange in the type III secretion system needle protein PrgI by solid-state NMR

Science.gov (United States)

Chevelkov, Veniamin; Giller, Karin; Becker, Stefan; Lange, Adam

2017-10-01

In this report we present site-specific measurements of amide hydrogen-deuterium exchange rates in a protein in the solid state phase by MAS NMR. Employing perdeuteration, proton detection and a high external magnetic field we could adopt the highly efficient Relax-EXSY protocol previously developed for liquid state NMR. According to this method, we measured the contribution of hydrogen exchange on apparent 15N longitudinal relaxation rates in samples with differing D2O buffer content. Differences in the apparent T1 times allowed us to derive exchange rates for multiple residues in the type III secretion system needle protein.

Hydrogen Village : creating hydrogen and fuel cell communities

International Nuclear Information System (INIS)

Smith, G.R.

2009-01-01

The Hydrogen Village (H2V) is a collaborative public-private partnership administered through Hydrogen and Fuel Cells Canada and funded by the Governments of Canada and Ontario. This end user-driven, market development program accelerates the commercialization of hydrogen and fuel cell (FC) technologies throughout the Greater Toronto Area (GTA). The program targets 3 specific aspects of market development, notably deployment of near market technologies in community based stationary and mobile applications; development of a coordinated hydrogen delivery and equipment service infrastructure; and societal factors involving corporate policy and public education. This presentation focused on lessons learned through outreach programs and the deployment of solid oxide fuel cell (SOFC) heat and power generation; indoor and outdoor fuel cell back up power systems; fuel cell-powered forklifts, delivery vehicles, and utility vehicles; hydrogen internal combustion engine powered shuttle buses, sedans, parade float; hydrogen production/refueling stations in the downtown core; and temporary fuel cell power systems

Tailoring the properties of ammine metal borohydrides for solid-state hydrogen storage.

Science.gov (United States)

Jepsen, Lars H; Ley, Morten B; Filinchuk, Yaroslav; Besenbacher, Flemming; Jensen, Torben R

2015-04-24

A series of halide-free ammine manganese borohydrides, Mn(BH4 )2 ⋅nNH3 , n=1, 2, 3, and 6, a new bimetallic compound Li2 Mn(BH4 )4 ⋅6NH3 , and the first ammine metal borohydride solid solution Mg1-x Mnx (BH4 )2 ⋅6NH3 are presented. Four new crystal structures have been determined by synchrotron radiation powder X-ray diffraction and the thermal decomposition is systematically investigated for all the new compounds. The solid-gas reaction between Mn(BH4 )2 and NH3 provides Mn(BH4 )2 ⋅6NH3 . The number of NH3 per Mn has been varied by mechanochemical treatment of Mn(BH4 )2 ⋅6NH3 -Mn(BH4 )2 mixtures giving rise to increased hydrogen purity for n/m≤1 for M(BH4 )m ⋅nNH3 . The structures of Mg(BH4 )2 ⋅3NH3 and Li2 Mg(BH4 )4 ⋅6NH3 have been revisited and new structural models are presented. Finally, we demonstrate that ammonia destabilizes metal borohydrides with low electronegativity of the metal (χp ∼1.6) are generally stabilized. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Rheokinetic Analysis of Hydroxy Terminated Polybutadiene Based Solid Propellant Slurry

Directory of Open Access Journals (Sweden)

Abhay K Mahanta

2010-01-01

Full Text Available The cure kinetics of propellant slurry based on hydroxy-terminated polybutadiene (HTPB and toluene diisocyanate (TDI polyurethane reaction has been studied by viscosity build up method. The viscosity (ɳ–time (t plots conform to the exponential function ɳ = aebt, where a & b are empirical constants. The rate constants (k for viscosity build up at various shear rate (rpm, evaluated from the slope of dɳ/dt versus ɳ plots at different temperatures, were found to vary from 0.0032 to 0.0052 min-1. It was observed that the increasing shear rate did not have significant effect on the reaction rate constants for viscosity build up of the propellant slurry. The activation energy (Eɳ, calculated from the Arrhenius plots, was found to be 13.17±1.78 kJ mole-1, whereas the activation enthalpy (∆Hɳ* and entropy (∆Sɳ* of the propellant slurry, calculated from Eyring relationship, were found to be 10.48±1.78 kJ mole-1 and –258.51± 5.38 J mole-1K-1, respectively. The reaction quenching temperature of the propellant slurry was found to be -9 ° C, based upon the experimental data. This opens up an avenue for a “freeze-and-store”, then “warm-up and cast”, mode of manufacturing of very large solid rocket propellant grains.

Biosurfactant-enhanced hydrogen production from organic fraction of municipal solid waste using co-culture of E. coli and Enterobacter aerogenes.

Science.gov (United States)

Sharma, Preeti; Melkania, Uma

2017-11-01

The effect of biosurfactants (surfactin and saponin) on the hydrogen production from organic fraction of municipal solid waste (OFMSW) was investigated using co-culture of facultative anaerobes Enterobacter aerogenes and E. coli. The biosurfactants were applied in the concentration ranges of 0.5, 1.0, 1.5, 2.0, 2.5, 3.0, 3.5 and 5.0% each. Cumulative hydrogen production (P), maximum hydrogen production rate (Rmax) and lag phases (λ) were analyzed using modified Gompertz model. Results revealed that both the biosurfactants were effective in hydrogen production enhancement. The maximum cumulative hydrogen production of 743.5±14.4ml and 675.6±12.1ml and volumetric hydrogen production of 2.12L H2 /L substrate and 1.93L H2 /L substrate was recorded at 3.5% surfactin and 3.0% saponin respectively. Corresponding highest hydrogen yields were 79.2mlH 2 /gCarbo initial and 72.0mlH 2 /gCarbo initial respectively. Lag phase decreased from 12.5±2.0h at control to a minimum of 9.0±2.8h and 9.5±2.1h at 3.5% surfactin and 3.0% saponin respectively. Volatile fatty acid generation was increased with biosurfactants addition. Copyright © 2017 Elsevier Ltd. All rights reserved.

Hydrogenation of organic matter as a terminal electron sink sustains high CO 2 :CH 4 production ratios during anaerobic decomposition

Energy Technology Data Exchange (ETDEWEB)

Wilson, Rachel M.; Tfaily, Malak M.; Rich, Virginia I.; Keller, Jason K.; Bridgham, Scott D.; Zalman, Cassandra Medvedeff; Meredith, Laura; Hanson, Paul J.; Hines, Mark; Pfeifer-Meister, Laurel; Saleska, Scott R.; Crill, Patrick; Cooper, William T.; Chanton, Jeff P.; Kostka, Joel E.

2017-10-01

Once inorganic electron acceptors are depleted, organic matter in anoxic environments decomposes by hydrolysis, fermentation, and methanogenesis, requiring syntrophic interactions between microorganisms to achieve energetic favorability. In this classic anaerobic food chain, methanogenesis represents the terminal electron accepting (TEA) process, ultimately producing equimolar CO2 and CH4 for each molecule of organic matter degraded. However, CO2:CH4 production in Sphagnum-derived, mineral-poor, cellulosic peat often substantially exceeds this 1:1 ratio, even in the absence of measureable inorganic TEAs. Since the oxidation state of C in both cellulose-derived organic matter and acetate is 0, and CO2 has an oxidation state of +4, if CH4 (oxidation state -4) is not produced in equal ratio, then some other compound(s) must balance CO2 production by receiving 4 electrons. Here we present evidence for ubiquitous hydrogenation of diverse unsaturated compounds that appear to serve as organic TEAs in peat, thereby providing the necessary electron balance to sustain CO2:CH4 >1. While organic electron acceptors have previously been proposed to drive microbial respiration of organic matter through the reversible reduction of quinone moieties, the hydrogenation mechanism that we propose, by contrast, reduces C-C double bonds in organic matter thereby serving as 1) a terminal electron sink, 2) a mechanism for degrading complex unsaturated organic molecules, 3) a potential mechanism to regenerate electron-accepting quinones, and, in some cases, 4) a means to alleviate the toxicity of unsaturated aromatic acids. This mechanism for CO2 generation without concomitant CH4 production has the potential to regulate the global warming potential of peatlands by elevating CO2:CH4 production ratios.

On Secondary Electron Emission from Solid H2 and D2

DEFF Research Database (Denmark)

Schou, Jørgen; Sørensen, H.

1978-01-01

The emission of secondary electrons from solid hydrogen (H2 , D2, T2) is often considered to be of importance for the interaction between a fusion plasma and pellets of solid hydrogens. A set-up was therefore built for studies of interactions between energetic particles and solid hydrogens. Studies...... of secondary electron emission (SEE) from solid H2 and D2 were made for incidence of electrons up to 3 keV and for incidence of ions of hydrogen, deuterium, and helium up to 10 keV. The measurements were made for normal incidence, and in some cases also for oblique incidence. The SEE coefficients for solid H2...... is always 0.65-0.70 times that for solid D2. This difference is attributed to different losses to vibrational states in H2 and D2 for the low energy electrons. Measurements were also made on solid para-H2 with both electrons and hydrogen ions. There was no difference from the results for normal H2, which...

Ablation of Solid Hydrogen in a Plasma

DEFF Research Database (Denmark)

Jørgensen, L. W.; Sillesen, Alfred Hegaard

1979-01-01

Several hydrogen pellet ablation models based on the formation of a shielding neutral cloud have been reported by different authors. The predicted ablation rates are shown to follow almost the same scaling law and this is used to explain the authors' ablation experiment.......Several hydrogen pellet ablation models based on the formation of a shielding neutral cloud have been reported by different authors. The predicted ablation rates are shown to follow almost the same scaling law and this is used to explain the authors' ablation experiment....

Composition variability of the organic fraction of municipal solid waste and effects on hydrogen and methane production potentials.

Science.gov (United States)

Alibardi, Luca; Cossu, Raffaello

2015-02-01

The composition of the Organic Fraction of Municipal Solid Waste (OFMSW) strongly depends on the place and time of collection for a specific municipality or area. Moreover synthetic food waste or organic waste from cafeterias and restaurants may not be representative of the overall OFMSW received at treatment facilities for source-separated waste. This work is aimed at evaluating the composition variability of OFMSW, the potential productions of hydrogen and methane from specific organic waste fractions typically present in MSW and the effects of waste composition on overall hydrogen and methane yields. The organic waste fractions considered in the study were: bread-pasta, vegetables, fruits, meat-fish-cheese and undersieve 20mm. Composition analyses were conducted on samples of OFMSW that were source segregated at household level. Batch tests for hydrogen and methane productions were carried out under mesophilic conditions on selected fractions and OFMSW samples. Results indicated that the highest production of hydrogen was achieved by the bread-pasta fraction while the lowest productions were measured for the meat-fish-cheese fraction. The results indicated that the content of these two fractions in organic waste had a direct influence on the hydrogen production potentials of OFMSW. The higher the content of bread-pasta fraction, the higher the hydrogen yields were while the contrary was observed for the meat-fish-cheese fraction. The definition of waste composition therefore represents fundamental information to be reported in scientific literature to allow data comparison. The variability of OFMSW and its effects on hydrogen potentials might also represents a problematic issue in the management of pilot or full-scale plants for the production of hydrogen by dark fermentation. Copyright © 2014 Elsevier Ltd. All rights reserved.

Investigation of solid solution of hydrogen in α-manganese by neutron diffraction and inelastic neutron scattering

International Nuclear Information System (INIS)

Fedotov, V.K.; Antonov, V.E.; Kolesnikov, A.I.; Kornell, K.; Vipf, G.; Grosse, G.; Vagner, F.Eh.; Sikolenko, V.V.; Sumin, V.V.; )

1997-01-01

The FCC-lattice of the solid solution α-MnH 0.073 with the mass of 8.45 g is investigated by the neutron diffraction method and the inelastic neutron scattering technique. The neutron diffraction measurements are made by the diffractometer D1B with pyrographite monochromator and the high-resolution Fourier diffractometer HRFD at 300 K. The study of the inelastic incoherent neutron scattering is carried out by means of the inverse geometry spectrometer KDSOG-M at 90 K. The comparative analysis of α-MnH 0.073 and α-Mn spectra is fulfilled for the more correct separation of effects of hydrogen introduction. It is found out that the structure of the solid solution α-MnH 0.073 belongs to the same spatial group I-43m as the structure of α-Mn [ru

Functionalization of hydroxyl terminated polybutadiene with ...

Indian Academy of Sciences (India)

Administrator

The hydroxyl terminated polybutadiene (HTPB) used in this work was prepared by free radical polymerization using hydrogen peroxide as initiator and was received from HEMRL Pune, India, as a gift sample. The molecu- lar weight and polydispersity of the HTPB was deter- mined by using gel permeable chromatography ...

Solvent fractionation of rambutan (Nephelium lappaceum L. kernel fat for production of non-hydrogenated solid fat: Influence of time and solvent type

Directory of Open Access Journals (Sweden)

Busakorn Mahisanunt

2017-01-01

Full Text Available The present study performed isothermal (25 °C solvent fractionation of rambutan (Nephelium lappaceum L. kernel fat (RKF to obtain the fat fraction that had melting properties comparable to a commercial hydrogenated solid fat. The effect of two fractionation parameters, holding time (12, 18 and 24 h and solvent types (acetone and ethanol, on the properties of fractionated fat were investigated. The results showed that a fractionation time increase caused an increased yield and decreased iodine value for the high melting or stearin fractions. The thermal behaviors and solid fat index (SFI of these stearin fractions were different from the original fat, especially for stearin from acetone fractionation. The major fatty acid in this stearin fraction was arachidic acid (C20:0 consisting of more than 90%. Overall, we demonstrated that acetone fractionation of RKF at 25 °C for 24 h is effective for producing a solid fat fraction, which has comparable crystallizing and melting properties to commercial hydrogenated fat. The fractionated rambutan fat obtained by this process may lead to its potential use in specific food products.

Development of Advanced Small Hydrogen Engines

Energy Technology Data Exchange (ETDEWEB)

Sapru, Krishna; Tan, Zhaosheng; Chao, Ben

2010-09-30

The main objective of the project is to develop advanced, low cost conversions of small (< 25 hp) gasoline internal combustion engines (ICEs) to run on hydrogen fuel while maintaining the same performance and durability. This final technical report summarizes the results of i) the details of the conversion of several small gasoline ICEs to run on hydrogen, ii) the durability test of a converted hydrogen engine and iii) the demonstration of a prototype bundled canister solid hydrogen storage system. Peak power of the hydrogen engine achieves 60% of the power output of the gasoline counterpart. The efforts to boost the engine power with various options including installing the over-sized turbocharger, retrofit of custom-made pistons with high compression ratio, an advanced ignition system, and various types of fuel injection systems are not realized. A converted Honda GC160 engine with ACS system to run with hydrogen fuel is successful. Total accumulative runtime is 785 hours. A prototype bundled canister solid hydrogen storage system having nominal capacity of 1.2 kg is designed, constructed and demonstrated. It is capable of supporting a wide range of output load of a hydrogen generator.

Extensive de novo solid-state NMR assignments of the 33 kDa C-terminal domain of the Ure2 prion

International Nuclear Information System (INIS)

Habenstein, Birgit; Wasmer, Christian; Bousset, Luc; Sourigues, Yannick; Schütz, Anne; Loquet, Antoine; Meier, Beat H.; Melki, Ronald; Böckmann, Anja

2011-01-01

We present the de novo resonance assignments for the crystalline 33 kDa C-terminal domain of the Ure2 prion using an optimized set of five 3D solid-state NMR spectra. We obtained, using a single uniformly 13 C, 15 N labeled protein sample, sequential chemical-shift information for 74% of the N, Cα, Cβ triples, and for 80% of further side-chain resonances for these spin systems. We describe the procedures and protocols devised, and discuss possibilities and limitations of the assignment of this largest protein assigned today by solid-state NMR, and for which no solution-state NMR shifts were available. A comparison of the NMR chemical shifts with crystallographic data reveals that regions with high crystallographic B-factors are particularly difficult to assign. While the secondary structure elements derived from the chemical shift data correspond mainly to those present in the X-ray crystal structure, we detect an additional helical element and structural variability in the protein crystal, most probably originating from the different molecules in the asymmetric unit, with the observation of doubled resonances in several parts, including entire stretches, of the protein. Our results provide the point of departure towards an atomic-resolution structural analysis of the C-terminal Ure2p domain in the context of the full-length prion fibrils.

Extensive de novo solid-state NMR assignments of the 33 kDa C-terminal domain of the Ure2 prion

Energy Technology Data Exchange (ETDEWEB)

Habenstein, Birgit [UMR 5086 CNRS/Universite de Lyon 1, Institut de Biologie et Chimie des Proteines (France); Wasmer, Christian [Harvard Medical School (United States); Bousset, Luc; Sourigues, Yannick [UPR 3082 CNRS, Laboratoire d' Enzymologie et Biochimie Structurales (France); Schuetz, Anne [ETH Zurich, Physical Chemistry (Switzerland); Loquet, Antoine [Max Planck Institute for Biophysical Chemistry (Germany); Meier, Beat H., E-mail: beme@ethz.ch [ETH Zurich, Physical Chemistry (Switzerland); Melki, Ronald, E-mail: melki@lebs.cnrs-gif.fr [UPR 3082 CNRS, Laboratoire d' Enzymologie et Biochimie Structurales (France); Boeckmann, Anja, E-mail: a.bockmann@ibcp.fr [UMR 5086 CNRS/Universite de Lyon 1, Institut de Biologie et Chimie des Proteines (France)

2011-11-15

We present the de novo resonance assignments for the crystalline 33 kDa C-terminal domain of the Ure2 prion using an optimized set of five 3D solid-state NMR spectra. We obtained, using a single uniformly {sup 13}C, {sup 15}N labeled protein sample, sequential chemical-shift information for 74% of the N, C{alpha}, C{beta} triples, and for 80% of further side-chain resonances for these spin systems. We describe the procedures and protocols devised, and discuss possibilities and limitations of the assignment of this largest protein assigned today by solid-state NMR, and for which no solution-state NMR shifts were available. A comparison of the NMR chemical shifts with crystallographic data reveals that regions with high crystallographic B-factors are particularly difficult to assign. While the secondary structure elements derived from the chemical shift data correspond mainly to those present in the X-ray crystal structure, we detect an additional helical element and structural variability in the protein crystal, most probably originating from the different molecules in the asymmetric unit, with the observation of doubled resonances in several parts, including entire stretches, of the protein. Our results provide the point of departure towards an atomic-resolution structural analysis of the C-terminal Ure2p domain in the context of the full-length prion fibrils.

Researches concerning the use of mixed Hydrogen in the combustion of dense biomass

International Nuclear Information System (INIS)

Negreanu, Gabriel-Paul; Mihaescu, Lucian; Pisa, Ionel; Berbece, Viorel; Lazaroiu, Gheorghe

2014-01-01

The paper deals with theoretical basis and experimental tests of mixed hydrogen diffusion in the dense system of biomass. Research regarding hydrogen diffusion in the porous system of biomass is part of wider research focusing on using hydrogen as an active medium for solid biomass combustion. In parallel with hydrogen diffusion in solid biomass, tests regarding biomass combustion previously subjected to a hydrogen flux will be carried out. Keywords: biomass, hydrogen diffusion, combustion, experimental tests

Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons

Energy Technology Data Exchange (ETDEWEB)

Abdullahi, Yusuf Zuntu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Kaduna State University, P.M.B. 2339, Kaduna State (Nigeria); Rahman, Md. Mahmudur, E-mail: mahmudur@upm.edu.my [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Shuaibu, Alhassan [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Nigerian Defence Academy, P.M.B 2109 Kaduna (Nigeria); Abubakar, Shamsu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Yobe State University, P.M.B. 1144, Yobe State (Nigeria); Zainuddin, Hishamuddin [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Institute for Mathematical Research, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Muhida, Rifki [Department of Physics-Energy Engineering, Surya University, Gedung 01 Scientia Business Park, Jl. Boulevard Gading Serpong Blok O/1, Summarecon Serpong, Tangerang 15810, Banten (Indonesia); Setiyanto, Henry [Analytical Chemistry Research Group, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha no. 10, Bandung 40132 (Indonesia)

2014-08-15

In this paper, we have investigated stable structural, electric and magnetic properties of manganese (Mn) atom adsorption on armchair hydrogen edge-terminated boron nitride nanoribbon (A-BNNRs) using first principles method based on density-functional theory with the generalized gradient approximation. Calculation shows that Mn atom situated on the ribbons of A-BNNRs is the most stable configuration, where the bonding is more pronounced. The projected density of states (PDOS) of the favored configuration has also been computed. It has been found that the covalent bonding of boron (B), nitrogen (N) and Mn is mainly contributed by s, d like-orbitals of Mn and partially occupied by the 2p like-orbital of N. The difference in energy between the inner and the edge adsorption sites of A-BNNRs shows that Mn atoms prefer to concentrate at the edge sites. The electronic structures of the various configurations are wide, narrow-gap semiconducting and half-metallic, and the magnetic moment of Mn atoms are well preserved in all considered configurations. This has shown that the boron nitride (BN) sheet covered with Mn atoms demonstrates additional information on its usefulness in future spintronics, molecular magnet and nanoelectronics devices.

Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons

International Nuclear Information System (INIS)

Abdullahi, Yusuf Zuntu; Rahman, Md. Mahmudur; Shuaibu, Alhassan; Abubakar, Shamsu; Zainuddin, Hishamuddin; Muhida, Rifki; Setiyanto, Henry

2014-01-01

In this paper, we have investigated stable structural, electric and magnetic properties of manganese (Mn) atom adsorption on armchair hydrogen edge-terminated boron nitride nanoribbon (A-BNNRs) using first principles method based on density-functional theory with the generalized gradient approximation. Calculation shows that Mn atom situated on the ribbons of A-BNNRs is the most stable configuration, where the bonding is more pronounced. The projected density of states (PDOS) of the favored configuration has also been computed. It has been found that the covalent bonding of boron (B), nitrogen (N) and Mn is mainly contributed by s, d like-orbitals of Mn and partially occupied by the 2p like-orbital of N. The difference in energy between the inner and the edge adsorption sites of A-BNNRs shows that Mn atoms prefer to concentrate at the edge sites. The electronic structures of the various configurations are wide, narrow-gap semiconducting and half-metallic, and the magnetic moment of Mn atoms are well preserved in all considered configurations. This has shown that the boron nitride (BN) sheet covered with Mn atoms demonstrates additional information on its usefulness in future spintronics, molecular magnet and nanoelectronics devices.

Hydrogen absorption in CexGd1−x alloys

International Nuclear Information System (INIS)

Bereznitsky, M.; Bloch, J.; Yonovich, M.; Schweke, D.; Mintz, M.H.; Jacob, I.

2012-01-01

Highlights: ► Ce x Gd 1−x alloys exhibit the most negative heats of hydride formation ever found. ► Thermodynamics of H absorption in Ce x Gd 1−x correlates with the alloys hardness. ► The entropies of H solution and hydride formation reflect the hydrogen vibrations. ► Terminal hydrogen solubilities change in a monotonic way between Ce and Gd. - Abstract: The effect of alloying on the thermodynamics of hydrogen absorption was studied for Ce x Gd 1−x alloys (0 ≤ x ≤ 1) at temperatures between 850 K and 1050 K in the 1–10 −4 Torr pressure range. The temperature-dependent hydrogen solubilities and plateau pressures for hydride formation were obtained from hydrogen absorption isotherms. The terminal hydrogen solubility (THS) at a given temperature changes in a monotonic way as a function of x. It is approximately three times higher in Gd, than in Ce, throughout the investigated temperature range. This monotonic behavior is opposed to that of many other substitutional alloys, for which the hydrogen terminal solubility increases with increasing solute concentrations. The enthalpies, ΔH f , and the entropies, ΔS f , of the dihydride formation exhibit a pronounced and broad negative minimum starting at x ≈ 0.15, yielding the most negative ΔH f values ever found for metal hydrides. On the other hand, the enthalpies and entropies of ideal solution display a positive trend at x = 0.15 and x = 0.3. Both behaviors are considered in view of a reported distinct variation of the Ce x Gd 1−x hardness as a function of x. The particular compositional variations of the entropies of solution and formation as a function of x reflect most likely the vibrational properties of the hydrogen atoms in the metal matrices.

Isotope exchange between gaseous hydrogen and uranium hydride powder

International Nuclear Information System (INIS)

Shugard, Andrew D.; Buffleben, George M.; Johnson, Terry A.; Robinson, David B.

2014-01-01

Highlights: • Isotope exchange between hydrogen gas and uranium hydride powder can be rapid and reversible. • Gas–solid exchange rate is controlled by transport within ∼0.7 μm hydride particles. • Gas chromatographic separation of hydrogen isotopes using uranium hydride is feasible. - Abstract: Isotope exchange between gaseous hydrogen and solid uranium hydride has been studied by flowing hydrogen (deuterium) gas through packed powder beds of uranium deuteride (hydride). We used a residual gas analyzer system to perform real-time analysis of the effluent gas composition. We also developed an exchange and transport model and, by fitting it to the experimental data, extracted kinetic parameters for the isotope exchange reaction. Our results suggest that, from approximately 70 to 700 kPa and 25 to 400 °C, the gas-to-solid exchange rate is controlled by hydrogen and deuterium transport within the ∼0.7 μm diameter uranium hydride particles. We use our kinetic parameters to show that gas chromatographic separation of hydrogen and deuterium using uranium hydride could be feasible

Achievement report for fiscal 2000 on the phase II research and development for hydrogen utilizing international clean energy system technology (WE-NET). Task 6. Development of fuel cell of pure hydrogen fueled solid polymer type; 2000 nendo suiso riyo kokusai clean energy system gijutsu (WE-NET) dai 2 ki kenkyu kaihatsu. Task 6. Junsuiso kyokyu kotai kobunshigata nenryo denchi no kaihatsu

Energy Technology Data Exchange (ETDEWEB)

NONE

2001-03-01

This paper describes the achievements in fiscal 2000 from the WE-NET Phase II for research and development Task-6. The objective is to verify performance and reliability, by means of field tests, of a power generation plant using fuel cells of pure hydrogen fueled solid polymer type with power transmission terminal efficiency of 45% and output of 30 kW. The fuel cells were developed by using the cathode humidification process as a humidification method suitable for operation at high utilization rates. With a three-cell stack made by using this humidification process (having an effective area of 289 cm{sup 2}), verification was made on the current density of 0.2A/cm{sup 2}, the characteristics of 0.75V or higher, and the uniform voltage distribution performance being the immediate targets. In order to mitigate the hydrogen utilization in the fuel cells, discussions were given on the serial flow system that divides the laminated cells into two blocks. Thus, operation was found possible with the utilization rate in each block reduced to about 80% by selecting an adequate division rate even if the hydrogen utilization rate is 96% in the entire stack. Stable operation has been performed in the 5-kW class power generation test using the cathode interior humidifying system. Specifications for 30-kW class power plant, system configuration, safety, and material balance were discussed. The basic design was made on the hydrogen gas humidity adjusting system. (NEDO)

Latent hazard related to a hydrogen liquefaction installation

International Nuclear Information System (INIS)

Spoendlin, R.

1961-01-01

In this note, the author reports an attempt of analysis of hazards which could be related to a hydrogen liquefaction installation in order to identify the most appropriate safety measures. In order to do so, experiments have been performed on electrostatic charges born by solid crystals in liquid hydrogen, and explosion tests have been performed on a mixture of solid oxygen and liquid hydrogen. Moreover, the author tried to analyse accidents which occurred in this field by performing a survey among scientists working in laboratories in different countries

Solid hydrogen structure

International Nuclear Information System (INIS)

Collins, G.W.; Unites, W.G.; Mapoles, E.R.; Magnotta, F.; Bernat, T.P.

1994-11-01

The J=0->2 Raman signal from solid J=0 D 2 or H 2 reveals HCP structure when deposited at a rate 0.1 ≤ R(μ/min) ≤ 40 onto MgF 2 at T d /T tp > 0.3, a mixture of HCP and FCC crystals at 0.2 d /T tp d /T tp tp is the triple point temperature. Non-HCP crystals transform to HCP continuously and irreversibly with increasing T. Finally, the crystal size decreases with decreasing T d and increasing R, from ∼ 1 mm at T d ∼ 0.8 T tp and R ∼ 2 μ/min to ∼ 1 μm at 0.25 T tp and R ∼ 40 μ/min

Carrier gas effects on aluminum-catalyzed nanowire growth

International Nuclear Information System (INIS)

Ke, Yue; Hainey, Mel Jr; Won, Dongjin; Weng, Xiaojun; Eichfeld, Sarah M; Redwing, Joan M

2016-01-01

Aluminum-catalyzed silicon nanowire growth under low-pressure chemical vapor deposition conditions requires higher reactor pressures than gold-catalyzed growth, but the reasons for this difference are not well understood. In this study, the effects of reactor pressure and hydrogen partial pressure on silicon nanowire growth using an aluminum catalyst were studied by growing nanowires in hydrogen and hydrogen/nitrogen carrier gas mixtures at different total reactor pressures. Nanowires grown in the nitrogen/hydrogen mixture have faceted catalyst droplet tips, minimal evidence of aluminum diffusion from the tip down the nanowire sidewalls, and significant vapor–solid deposition of silicon on the sidewalls. In comparison, wires grown in pure hydrogen show less well-defined tips, evidence of aluminum diffusion down the nanowire sidewalls at increasing reactor pressures and reduced vapor–solid deposition of silicon on the sidewalls. The results are explained in terms of a model wherein the hydrogen partial pressure plays a critical role in aluminum-catalyzed nanowire growth by controlling hydrogen termination of the silicon nanowire sidewalls. For a given reactor pressure, increased hydrogen partial pressures increase the extent of hydrogen termination of the sidewalls which suppresses SiH_4 adsorption thereby reducing vapor–solid deposition of silicon but increases the surface diffusion length of aluminum. Conversely, lower hydrogen partial pressures reduce the hydrogen termination and also increase the extent of SiH_4 gas phase decomposition, shifting the nanowire growth window to lower growth temperatures and silane partial pressures. (paper)

Neutronographic measurements of the motion of hydrogen and hydrogeneous substances in liquids and solids

International Nuclear Information System (INIS)

Zeilinger, A.; Pochman, W.A.; Rauch, H.; Suleiman, M.

1976-01-01

Earlier measurements of hydrogen motion in liquids by neutron radiography have been extended to obtain additional parameters of governing the mixing behavior of light and heavy water. Furthermore motion of water in concrete was measured leading to a determination of (1) the vapor diffusion coefficient of water in concrete, (2) the porosity of the concrete, and (3) the mass transfer coefficient of vapor from the concrete to the environment. Recently the ability of neutron radiography to measure the hydrogen motion in metals was demonstrated and the diffusion coefficients of hydrogen in V, Ta, Nb and beta-Ti was determined. In addition, some work on resolution measurements of neutron radiography will be reported. (author)

Hydrogen diffusion, dissolution and permeation of nonmetallic solids

International Nuclear Information System (INIS)

Elleman, T.S.; Rao, D.; Verghese, K.; Zumwalt, L.

1979-01-01

A review of hydrogen diffusion, dissolution and permeation in metal oxides, carbides, nitrides, halides and hydrides is presented. Results are organized by compound and an effort has been made to resolve differences between measured results where wide disparities exist. The document has been prepared to provide needed data for the development of fusion reactor blankets but the results should be generally useful in technologies that involve interactions between hydrogen and non-metals

Sputtering of solid deuterium by He-ions

DEFF Research Database (Denmark)

Schou, Jørgen; Stenum, B.; Pedrys, R.

2001-01-01

Sputtering of solid deuterium by bombardment of 3He+ and 4He+ ions was studied. Some features are similar to hydrogen ion bombardment of solid deuterium, but for the He-ions a significant contribution of elastic processes to the total yield can be identified. The thin-film enhancement is more pro...... pronounced than that for hydrogen projectiles in the same energy range....

Limits for hydrogen production of a solar - hydrogen system in Cuernavaca, Mexico

International Nuclear Information System (INIS)

Arriaga, H.L.G.; Gutierrez, S.L.; Cano, U.

2006-01-01

In this work experimental data are used in order to estimate the production of hydrogen as a function of irradiance of a direct-interconnection of solar panel system with a SPE (Solid Polymer Electrolyte) electrolyzer (also Solar-Hydrogen system). The solar - hydrogen system, consists of a photovoltaic solar array of 36 panels (75 Watts each) of monocrystalline silicon interconnected with an electrolyzer stack of 25 cells (around 100 cm 2 of geometrical area) with a maximum hydrogen production of 1 Nm 3 /h. By the use of voltage, current density, energy consumption values of the whole solar-hydrogen system, an average efficiency up to 5% was estimated and an average of 3,800 NL of hydrogen per day can be expected. Also the maximum hydrogen production for the months of July and December (sunniest and least sunny months in the location) is predicted. (authors)

Limits for hydrogen production of a solar - hydrogen system in Cuernavaca, Mexico

Energy Technology Data Exchange (ETDEWEB)

Arriaga, H.L.G.; Gutierrez, S.L.; Cano, U. [Instituto de Investigaciones Electricas Av. Reforma 113, col. Palmira c.p.62490 Cuernavaca Morelos (Mexico)

2006-07-01

In this work experimental data are used in order to estimate the production of hydrogen as a function of irradiance of a direct-interconnection of solar panel system with a SPE (Solid Polymer Electrolyte) electrolyzer (also Solar-Hydrogen system). The solar - hydrogen system, consists of a photovoltaic solar array of 36 panels (75 Watts each) of monocrystalline silicon interconnected with an electrolyzer stack of 25 cells (around 100 cm{sup 2} of geometrical area) with a maximum hydrogen production of 1 Nm{sup 3}/h. By the use of voltage, current density, energy consumption values of the whole solar-hydrogen system, an average efficiency up to 5% was estimated and an average of 3,800 NL of hydrogen per day can be expected. Also the maximum hydrogen production for the months of July and December (sunniest and least sunny months in the location) is predicted. (authors)

CFD Model Of A Planar Solid Oxide Electrolysis Cell For Hydrogen Production From Nuclear Energy

International Nuclear Information System (INIS)

Grant L. Hawkes; James E. O'Brien; Carl M. Stoots; J. Stephen Herring

2005-01-01

A three-dimensional computational fluid dynamics (CFD) model has been created to model high temperature steam electrolysis in a planar solid oxide electrolysis cell (SOEC). The model represents a single cell as it would exist in an electrolysis stack. Details of the model geometry are specific to a stack that was fabricated by Ceramatec2, Inc. and tested at the Idaho National Laboratory. Mass, momentum, energy, and species conservation and transport are provided via the core features of the commercial CFD code FLUENT2. A solid-oxide fuel cell (SOFC) model adds the electrochemical reactions and loss mechanisms and computation of the electric field throughout the cell. The FLUENT SOFC user-defined subroutine was modified for this work to allow for operation in the SOEC mode. Model results provide detailed profiles of temperature, Nernst potential, operating potential, anode-side gas composition, cathode-side gas composition, current density and hydrogen production over a range of stack operating conditions. Mean model results are shown to compare favorably with experimental results obtained from an actual ten-cell stack tested at INL

Electrochemical Hydrogen Compressor

Energy Technology Data Exchange (ETDEWEB)

Lipp, Ludwig [FuelCell Energy, Inc., Torrington, CT (United States)

2016-01-21

Conventional compressors have not been able to meet DOE targets for hydrogen refueling stations. They suffer from high capital cost, poor reliability and pose a risk of fuel contamination from lubricant oils. This project has significantly advanced the development of solid state hydrogen compressor technology for multiple applications. The project has achieved all of its major objectives. It has demonstrated capability of Electrochemical Hydrogen Compression (EHC) technology to potentially meet the DOE targets for small compressors for refueling sites. It has quantified EHC cell performance and durability, including single stage hydrogen compression from near-atmospheric pressure to 12,800 psi and operation of EHC for more than 22,000 hours. Capital cost of EHC was reduced by 60%, enabling a path to meeting the DOE cost targets for hydrogen compression, storage and delivery ($2.00-2.15/gge by 2020).

The core of Ure2p prion fibrils is formed by the N-terminal segment in a parallel cross-β structure: evidence from solid-state NMR.

Science.gov (United States)

Kryndushkin, Dmitry S; Wickner, Reed B; Tycko, Robert

2011-06-03

Intracellular fibril formation by Ure2p produces the non-Mendelian genetic element [URE3] in Saccharomyces cerevisiae, making Ure2p a prion protein. We show that solid-state NMR spectra of full-length Ure2p fibrils, seeded with infectious prions from a specific [URE3] strain and labeled with uniformly (15)N-(13)C-enriched Ile, include strong, sharp signals from Ile residues in the globular C-terminal domain (CTD) with both helical and nonhelical (13)C chemical shifts. Treatment with proteinase K eliminates these CTD signals, leaving only nonhelical signals from the Gln-rich and Asn-rich N-terminal segment, which are also observed in the solid-state NMR spectra of Ile-labeled fibrils formed by residues 1-89 of Ure2p. Thus, the N-terminal segment, or "prion domain" (PD), forms the fibril core, while CTD units are located outside the core. We additionally show that, after proteinase K treatment, Ile-labeled Ure2p fibrils formed without prion seeding exhibit a broader set of solid-state NMR signals than do prion-seeded fibrils, consistent with the idea that structural variations within the PD core account for prion strains. Measurements of (13)C-(13)C magnetic dipole-dipole couplings among (13)C-labeled Ile carbonyl sites in full-length Ure2p fibrils support an in-register parallel β-sheet structure for the PD core of Ure2p fibrils. Finally, we show that a model in which CTD units are attached rigidly to the parallel β-sheet core is consistent with steric constraints. Published by Elsevier Ltd.

Metal ammine complexes for hydrogen storage

DEFF Research Database (Denmark)

Christensen, Claus H.; Sørensen, Rasmus Zink; Johannessen, Tue

2005-01-01

The hopes of using hydrogen as an energy carrier are severely dampened by the fact that there is still no safe, high-density method available for storing hydrogen. We investigate the possibility of using metal ammine complexes as a solid form of hydrogen storage. Using Mg(NH3)(6)Cl-2 as the example......, we show that it can store 9.1% hydrogen by weight in the form of ammonia. The storage is completely reversible, and by combining it with an ammonia decomposition catalyst, hydrogen can be delivered at temperatures below 620 K....

The first N-terminal unprotected (Gly-Aib)n peptide: H-Gly-Aib-Gly-Aib-OtBu.

Science.gov (United States)

Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos

2015-12-01

Glycine (Gly) is incorporated in roughly half of all known peptaibiotic (nonribosomally biosynthesized antibiotic peptides of fungal origin) sequences and is the residue with the greatest conformational flexibility. The conformational space of Aib (α-aminoisobutyric acid) is severely restricted by the second methyl group attached to the Cα atom. Most of the crystal structures containing Aib are N-terminal protected. Deprotection of the N- or C-terminus of peptides may alter the hydrogen-bonding scheme and/or the structure and may facilitate crystallization. The structure reported here for glycyl-α-aminoisobutyrylglycyl-α-aminoisobutyric acid tert-butyl ester, C16H30N4O5, describes the first N-terminal-unprotected (Gly-Aib)n peptide. The achiral peptide could form an intramolecular hydrogen bond between the C=O group of Gly1 and the N-H group of Aib4. This hydrogen bond is found in all tetrapeptides and N-terminal-protected tripeptides containing Aib, apart from one exception. In the present work, this hydrogen bond is not observed (N...O = 5.88 Å). Instead, every molecule is hydrogen bonded to six other symmetry-related molecules with a total of eight hydrogen bonds per molecule. The backbone conformation starts in the right-handed helical region (and the left-handed helical region for the inverted molecule) and reverses the screw sense in the last two residues.

Purification of hydrogen sulfide

International Nuclear Information System (INIS)

Tsao, U.

1978-01-01

A process is described for purifying a hydrogen sulfide gas stream containing carbon dioxide, comprising (a) passing the gas stream through a bed of solid hydrated lime to form calcium hydrosulfide and calcium carbonate and (b) regenerating hydrogen sulfide from said calcium hydrosulfide by reacting the calcium hydrosulfide with additional carbon dioxide. The process is especially applicable for use in a heavy water recovery process wherein deuterium is concentrated from a feed water containing carbon dioxide by absorption and stripping using hydrogen sulfide as a circulating medium, and the hydrogen sulfide absorbs a small quantity of carbon dioxide along with deuterium in each circulation

Impact of heavy metals on hydrogen production from organic fraction of municipal solid waste using co-culture of Enterobacter aerogenes and E. Coli.

Science.gov (United States)

Sharma, Preeti; Melkania, Uma

2018-05-01

In the present study, the effect of heavy metals (lead, mercury, copper, and chromium) on the hydrogen production from the organic fraction of municipal solid waste (OFMSW) was investigated using co-culture of facultative anaerobes Enterobacter aerogenes and E. coli. Heavy metals were applied at concentration range of 0.5, 1, 2, 5, 10, 20, 50 and 100 mg/L. The results revealed that lead, mercury, and chromium negatively affected hydrogen production for the range of concentrations applied. Application of copper slightly enhanced hydrogen production at low concentration and resulted in the hydrogen yield of 36.0 mLH 2 /gCarbo initial with 10 mg/L copper supplementation as compared to 24.2 mLH 2 /gCarbo initial in control. However, the higher concentration of copper (>10 mg/L) declined hydrogen production. Hydrogen production inhibition potential of heavy metals can be arranged in the following increasing order: Cu 2+  metal addition. Thus, the present study reveals that the presence of heavy metals in the feedstock is detrimental for the hydrogen production. Therefore, it is essential to remove the toxic heavy metals prior to anaerobic digestion. Copyright © 2018 Elsevier Ltd. All rights reserved.

Ovonic Renewable Hydrogen (ORH) - low temperature hydrogen production from renewable fuels

International Nuclear Information System (INIS)

Reichman, B.; Mays, W.; Strebe, J.; Fetcenko, M.

2009-01-01

'Full text': ECD has developed a new technology to produce hydrogen from various organic matters. In this technology termed Ovonic Renewable Hydrogen (ORH), base material such as NaOH is used as a reactant to facilitate the reforming of the organic matters to hydrogen gas. This Base-Facilitated Reforming (BFR) process is a one-step process and has number of advantages over the conventional steam reforming and gasification processes including lower operation temperature and lower heat consumption. This paper will describe the ORH process and discuss its technological and economics advantages over the conventional hydrogen production processes. ORH process has been studied and demonstrated on variety of renewable fuels including liquid biofuels and solid biomass materials. Results of these studies will be presented. (author)

Bio-hydrogen Production Potential from Market Waste

Directory of Open Access Journals (Sweden)

Lanna Jaitalee

2010-07-01

Full Text Available This research studied bio-hydrogen production from vegetable waste from a fresh market in order to recover energy. A series of batch experiments were conducted to investigate the effects of initial volatile solids concentration on the bio-hydrogen production process. Lab bench scale anaerobic continuous stirred-tank reactors (CSTR were used to study the effect of substrate and sludge inoculation on hydrogen production. Three different concentrations of initial total volatile solids (TVS of organic waste were varied from 2%, 3% and 5% respectively. The pH was controlled at 5.5 for all batches in the experiment. The results showed that bio-hydrogen production depended on feed-substrate concentration. At initial TVS content of 3%, the highest hydrogen production was achieved at a level of 0.59 L-H2/L at pH 5.5. The maximum hydrogen yield was 15.3 ml H2/g TVS or 8.5 ml H2/g COD. The composition of H2 in the biogas ranged from 28.1-30.9% and no CH4 was detected in all batch tests.

A novel accelerated oxidative stability screening method for pharmaceutical solids.

Science.gov (United States)

Zhu, Donghua Alan; Zhang, Geoff G Z; George, Karen L S T; Zhou, Deliang

2011-08-01

Despite the fact that oxidation is the second most frequent degradation pathway for pharmaceuticals, means of evaluating the oxidative stability of pharmaceutical solids, especially effective stress testing, are still lacking. This paper describes a novel experimental method for peroxide-mediated oxidative stress testing on pharmaceutical solids. The method utilizes urea-hydrogen peroxide, a molecular complex that undergoes solid-state decomposition and releases hydrogen peroxide vapor at elevated temperatures (e.g., 30°C), as a source of peroxide. The experimental setting for this method is simple, convenient, and can be operated routinely in most laboratories. The fundamental parameter of the system, that is, hydrogen peroxide vapor pressure, was determined using a modified spectrophotometric method. The feasibility and utility of the proposed method in solid form selection have been demonstrated using various solid forms of ephedrine. No degradation was detected for ephedrine hydrochloride after exposure to the hydrogen peroxide vapor for 2 weeks, whereas both anhydrate and hemihydrate free base forms degraded rapidly under the test conditions. In addition, both the anhydrate and the hemihydrate free base degraded faster when exposed to hydrogen peroxide vapor at 30°C under dry condition than at 30°C/75% relative humidity (RH). A new degradation product was also observed under the drier condition. The proposed method provides more relevant screening conditions for solid dosage forms, and is useful in selecting optimal solid form(s), determining potential degradation products, and formulation screening during development. Copyright © 2011 Wiley-Liss, Inc.

Ablation of Hydrogen Pellets in Hydrogen and Helium Plasmas

DEFF Research Database (Denmark)

Jørgensen, L W; Sillesen, Alfred Hegaard; Øster, Flemming

1975-01-01

Measurements on the interaction between solid hydrogen pellets and rotating plasmas are reported. The investigations were carried out because of the possibility of refuelling fusion reactors by the injection of pellets. The ablation rate found is higher than expected on the basis of a theory...

Fermi level on hydrogen terminated diamond surfaces

Czech Academy of Sciences Publication Activity Database

Rezek, Bohuslav; Saurer, C.; Nebel, C. E.; Stutzmann, M.; Ristein, J.; Ley, L.; Snidero, E.; Bergonzo, P.

2003-01-01

Roč. 82, č. 14 (2003), s. 2266-2268 ISSN 0003-6951 EU Projects: European Commission(XE) HPRN-CT-1999-00139 Grant - others:DFC(DE) NE524-2 Institutional research plan: CEZ:AV0Z1010914 Keywords : atomic force microscope (AFM) * Kelvin probe experiments * diamond surface Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.049, year: 2003

Design and exergetic analysis of a novel carbon free tri-generation system for hydrogen, power and heat production from natural gas, based on combined solid oxide fuel and electrolyser cells

Energy Technology Data Exchange (ETDEWEB)

Perdikaris, N.; Hofmann, Ph.; Spyrakis, S. [Laboratory of Steam Boilers and Thermal Plants, School of Mechanical Engineering, Thermal Engineering Section, National Technical University of Athens, 9 Heroon Polytechniou Ave., Zografou, 15780 Athens (Greece); Panopoulos, K.D. [Institute for Solid Fuels Technology and Applications, Centre for Research and Technology Hellas, 4th km N.R. Ptolemais-Kozani, P.O. Box 95, 50200 Ptolemais (Greece); Kakaras, E. [Laboratory of Steam Boilers and Thermal Plants, School of Mechanical Engineering, Thermal Engineering Section, National Technical University of Athens, 9 Heroon Polytechniou Ave., Zografou, 15780 Athens (Greece); Institute for Solid Fuels Technology and Applications, Centre for Research and Technology Hellas, 4th km N.R. Ptolemais-Kozani, P.O. Box 95, 50200 Ptolemais (Greece)

2010-03-15

The Solid Oxide Cells (SOCs) are able to operate in two modes: (a) the Solid Oxide Fuel Cells (SOFCs) that produce electricity and heat and (b) the Solid Oxide Electrolyser Cells (SOEC) that consume electricity and heat to electrolyse water and produce hydrogen and oxygen. The present paper presents a carbon free SOEC/SOFC combined system for the production of hydrogen, electricity and heat (tri-generation) from natural gas fuel. Hydrogen can be locally used as automobile fuel whereas the oxygen produced in the SOEC is used to combust the depleted fuel from the SOFC, which is producing electricity and heat from natural gas. In order to achieve efficient carbon capture in such a system, water steam should be used as the SOEC anode sweep gas, to allow the production of nitrogen free flue gases. The SOEC and SOFC operations were matched through modeling of all components in Aspenplus trademark. The exergetic efficiency of the proposed decentralised system is 28.25% for power generation and 18.55% for production of hydrogen. The system is (a) carbon free because it offers an almost pure pressurised CO{sub 2} stream to be driven for fixation via parallel pipelines to the natural gas feed, (b) does not require any additional water for its operation and (c) offers 26.53% of its energetic input as hot water for applications. (author)

Hydrogen adsorption on partially oxidised microporous carbons

International Nuclear Information System (INIS)

J B Parra; C O Ania; C J Duran Valle; M L Sanchez; C Otero Arean

2005-01-01

The search for cost effective adsorbents for large scale gas separation, storage and transport constitutes a present day strategic issue in the energy sector, propelled mainly by the potential use of hydrogen as an energy vector in a sustainable (and cleaner) energy scenario. Both, activated carbons and carbon based nano-structured materials have been proposed as potential candidates for reversible hydrogen storage in cryogenically cooled vessels. For that purpose, surface modification so as to enhance the gas solid interaction energy is desirable. We report on hydrogen adsorption on microporous (active) carbons which have been partially oxidised with nitric acid and ammonium persulfate. From the corresponding hydrogen adsorption isotherms (Fig. 1) an isosteric heat of about 3 kJ mol -1 was derived. This value is in agreement with that of about 3 to 4 kJ mol -1 obtained by quantum chemical calculations on the interaction between the hydrogen molecule and simple model systems (Fig. 2) of both, hydroxyl and carboxyl groups. Further research is in progress with a view to further increases the gas solid interaction energy. However, the values so far obtained are significantly larger than the liquefaction enthalpy of hydrogen: 0.90 kJ mol -1 ; and this is relevant to both, hydrogen separation from gas mixtures and cryogenic hydrogen storage. (authors)

Improving the photovoltaic performance of the all-solid-state TiO2 NR/CuInS2 solar cell by hydrogen plasma treatment

Science.gov (United States)

Chen, Bingfeng; Niu, Wenzhe; Lou, Zirui; Ye, Zhizhen; Zhu, Liping

2018-07-01

The interfacial properties of the heterojunction between p-type and n-type materials play an important role in the performance of the solar cell. In this paper, a p-type CuInS2 film was deposited on TiO2 nanorod arrays by spin coating to fabricate an all-solid-state solar cell and the TiO2 nanorod arrays were treated with hydrogen plasma(H:TiO2) to ameliorate the interfacial properties. The influence of the hydrogen plasma treatment on the performance of the solar cell was investigated. The short-circuit current density was obviously raised and the power conversion efficiency of the solar cell improved to 0.30%, which is three times that of solar cells without hydrogen plasma treatment. The enhancement of the performance is attributed to not only the enhancement of carrier separation and transport, but the reduction of the recombination of electrons and holes, which is caused by hydrogen plasma treatment.

Improving the photovoltaic performance of the all-solid-state TiO2 NR/CuInS2 solar cell by hydrogen plasma treatment.

Science.gov (United States)

Chen, Bingfeng; Niu, Wenzhe; Lou, Zirui; Ye, Zhizhen; Zhu, Liping

2018-07-06

The interfacial properties of the heterojunction between p-type and n-type materials play an important role in the performance of the solar cell. In this paper, a p-type CuInS 2 film was deposited on TiO 2 nanorod arrays by spin coating to fabricate an all-solid-state solar cell and the TiO 2 nanorod arrays were treated with hydrogen plasma(H:TiO 2 ) to ameliorate the interfacial properties. The influence of the hydrogen plasma treatment on the performance of the solar cell was investigated. The short-circuit current density was obviously raised and the power conversion efficiency of the solar cell improved to 0.30%, which is three times that of solar cells without hydrogen plasma treatment. The enhancement of the performance is attributed to not only the enhancement of carrier separation and transport, but the reduction of the recombination of electrons and holes, which is caused by hydrogen plasma treatment.

Secondary electron emission from solid HD and a solid H2-D2 mixture

DEFF Research Database (Denmark)

Sørensen, H.; Børgesen, P.; Hao-Ming, Chen

1983-01-01

Secondary electron emission from solid HD and a solid 0.6 H2 + 0.4 D2 mixture has been studied for electron and hydrogen ion bombardment at primary energies from 0.5 to 3 keV and 2 to 10 keV/amu, respectively. The yield for solid HD is well explained by a simple stoichiometric model of the low...

Hydrogen embrittlement and stress corrosion cracking in metals

Energy Technology Data Exchange (ETDEWEB)

Kim, Young Suk; Cheong, Yong Mu; Im, Kyung Soo

2004-10-15

The objective of this report is to elucidate the mechanism for hydrogen embrittlement (HE) and stress corrosion cracking (SCC) in metals. To this end, we investigate the common features between delayed hydride cracking (DHC) in zirconium alloys and HE in metals with no precipitation of hydrides including Fe base alloys, Nickel base alloys, Cu alloys and Al alloys. Surprisingly, as with the crack growth pattern for the DHC in zirconium alloy, the metals mentioned above show a discontinuous crack growth, striation lines and a strong dependence of yield strength when exposed to hydrogen internally and externally. This study, for the first time, analyzes the driving force for the HE in metals in viewpoints of Kim's DHC model that a driving force for the DHC in zirconium alloys is a supersaturated hydrogen concentration coming from a hysteresis of the terminal solid solubility of hydrogen, not by the stress gradient, As with the crack growing only along the hydride habit plane during the DHC in zirconium alloys, the metals exposed to hydrogen seem to have the crack growing by invoking the dislocation slip along the preferential planes as a result of some interactions of the dislocations with hydrogen. Therefore, it seems that the hydrogen plays a role in inducing the slip only on the preferential planes so as to cause a strain localization at the crack tip. Sulfur in metals is detrimental in causing a intergranular cracking due to a segregation of the hydrogens at the grain boundaries. In contrast, boron in excess of 500 ppm added to the Ni3Al intermetallic compound is found to be beneficial in suppressing the HE even though further details of the mechanism for the roles of boron and sulfur are required. Carbon, carbides precipitating semi-continuously along the grain boundaries and the CSL (coherent site lattice) boundaries is found to suppress the intergranular stress corrosion cracking (IGSCC) in Alloy 600. The higher the volume fraction of twin boundaries, the

Hydrogen embrittlement and stress corrosion cracking in metals

International Nuclear Information System (INIS)

Kim, Young Suk; Cheong, Yong Mu; Im, Kyung Soo

2004-10-01

The objective of this report is to elucidate the mechanism for hydrogen embrittlement (HE) and stress corrosion cracking (SCC) in metals. To this end, we investigate the common features between delayed hydride cracking (DHC) in zirconium alloys and HE in metals with no precipitation of hydrides including Fe base alloys, Nickel base alloys, Cu alloys and Al alloys. Surprisingly, as with the crack growth pattern for the DHC in zirconium alloy, the metals mentioned above show a discontinuous crack growth, striation lines and a strong dependence of yield strength when exposed to hydrogen internally and externally. This study, for the first time, analyzes the driving force for the HE in metals in viewpoints of Kim's DHC model that a driving force for the DHC in zirconium alloys is a supersaturated hydrogen concentration coming from a hysteresis of the terminal solid solubility of hydrogen, not by the stress gradient, As with the crack growing only along the hydride habit plane during the DHC in zirconium alloys, the metals exposed to hydrogen seem to have the crack growing by invoking the dislocation slip along the preferential planes as a result of some interactions of the dislocations with hydrogen. Therefore, it seems that the hydrogen plays a role in inducing the slip only on the preferential planes so as to cause a strain localization at the crack tip. Sulfur in metals is detrimental in causing a intergranular cracking due to a segregation of the hydrogens at the grain boundaries. In contrast, boron in excess of 500 ppm added to the Ni3Al intermetallic compound is found to be beneficial in suppressing the HE even though further details of the mechanism for the roles of boron and sulfur are required. Carbon, carbides precipitating semi-continuously along the grain boundaries and the CSL (coherent site lattice) boundaries is found to suppress the intergranular stress corrosion cracking (IGSCC) in Alloy 600. The higher the volume fraction of twin boundaries, the more

Hydrogenizing oils, asphalts, etc

Energy Technology Data Exchange (ETDEWEB)

1925-03-14

The hydrogenation of carbonaceous solids in presence of combined sulfur, e.g., sulfides as described in the parent specification is applied to the treatment of rock oils, shale oils, resins, ozokerite, asphalt, and the like, or fractions, residues, or acid sludge or other conversion products thereof, alone or mixed. Preferably the hydrogen or other reducing gas is in excess and under pressure, and is either circuited or led through a series of treatment vessels, hydrogen being added for that used. In an example, residues from American crude oil are passed continuously with hydrogen at 200 atmospheres and 450 to 500/sup 0/C over pressed precipitated cobalt sulfide, the issuing gases being cooled to condense the light oil produced.

Hydrogen storage in graphitic nanofibres

OpenAIRE

McCaldin, Simon Roger

2007-01-01

There is huge need to develop an alternative to hydrocarbons fuel, which does not produce CO2 or contribute to global warming - 'the hydrogen economy' is such an alternative, however the storage of hydrogen is the key technical barrier that must be overcome. The potential of graphitic nanofibres (GNFs) to be used as materials to allow the solid-state storage of hydrogen has thus been investigated. This has been conducted with a view to further developing the understanding of the mechanism(s) ...

Hydrogen with intrinsic CO{sub 2} sequestration: the ENI 'One Step Hydrogen' process

Energy Technology Data Exchange (ETDEWEB)

Rossini, S.; Cornaro, U.; Mizia, F.; Malandrino, A.; Piccoli, V. [Enitecnologie SpA, S. Donata Milanese (Italy); Sanfilippo, D.; Miracca, I. [Snamprogetti SpA, S. Donato Milanese (Italy)

2003-07-01

The new process, under development in our companies, is aimed to hydrogen production with intrinsic carbon dioxide sequestration. This is made possible combining in a cycle the water oxidative potential with a reverse action by a reducing agent like hydrocarbons, the preferred being natural gas. In the first step a suitable oxide takes up the oxygen from water splitting producing hydrogen. The solid act as an oxygen storage medium. Such 'lattice' oxygen is in turn released through one or more elemental steps. The process fits very well with a circulating fluid bed reactor which allows the movement of the solid from one reactive environment to the other. (orig.)

Hydrogen storage using borohydrides

International Nuclear Information System (INIS)

Bernard BONNETOT; Laetitia LAVERSENNE

2006-01-01

The possibilities of hydrogen storage using borohydrides are presented and discussed specially in regard of the recoverable hydrogen amount and related to the recovering conditions. A rapid analysis of storage possibilities is proposed taking in account the two main ways for hydrogen evolution: the dehydrogenation obtained through thermal decomposition or the hydrolysis of solids or solutions. The recoverable hydrogen is related to the dehydrogenation conditions and the real hydrogen useful percentage is determined for each case of use. The high temperature required for dehydrogenation even when using catalyzed compounds lead to poor outlooks for this storage way. The hydrolysis conditions direct the chemical yield of the water consuming, and this must be related to the experimental conditions which rule the storage capacity of the 'fuel' derived from the borohydride. (authors)

Studies on keV and eV electrons in solids

International Nuclear Information System (INIS)

Schou, J.

1979-10-01

The interaction between keV or eV electrons and solids was studied. The results presented mostly concern problems in connection with electron irradiation of solids, but to some extent they also include ion-induced secondary electron emission. The experiments were mainly performed on solidified gases using 1 - 3 keV electrons. The projected range of electrons was determined in solid hydrogen, deuterium and nitrogen. The true secondary electron emission coefficient and the electron reflection coefficient of solid hydrogen, deuterium and nitrogen were measured. The escape depth of the true secondary electrons in nitrogen was determined. The angular dependence of both the reflection coefficient and the true secondary electron emission coefficient of solid hydrogen and deuterium was investigated. Both ion- and electron-induced secondary electron emission were treated theoretically on the basis of ionization cascade theory. (Auth.)

Solid-state amorphization of SmFe3 by hydrogenation

International Nuclear Information System (INIS)

Mueller, K.H.; Kubis, M.; Handstein, A.; Gutfleisch, O.

2000-01-01

Hydrogen-induced amorphization (HIA) has received much attention as a method for the preparation of amorphous compounds since its discovery by Yeh et al. Meanwhile it has been observed for a large number of intermetallic compounds with C15, C23, B8 2 , DO 19 and L1 2 structures. E.G. the C15 Laves-type compounds (MgCu 2 -type structure) of rare earth (R) - transition metal (T) compounds RT 2 show HIA for R = Y, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho and Er. Aoki et al. postulated that new amorphizing compounds can be expected at high hydrogen pressures. In this work, the structural changes of SmFe 3 (PuNi 3 -type structure) during heating in high hydrogen pressures are reported

Hydrogen in metals

International Nuclear Information System (INIS)

1986-01-01

The report briefly describes the results of the single projects promoted by the German Council of Research (DFG). The subjects deal with diffusion, effusion, permeation and solubility of hydrogen in metals. They are interesting for many disciplines: metallurgy, physical metallurgy, metal physics, materials testing, welding engineering, chemistry, nuclear physics and solid-state physics. The research projects deal with the following interrelated subjects: solubility of H 2 in steel and effects on embrittlement, influence of H 2 on the fatigue strength of steel as well as the effect of H 2 on welded joints. The studies in solid-state research can be divided into methodological and physico-chemical studies. The methodological studies mainly comprise investigations on the analytical determination of H 2 by means of nuclear-physical reactions (e.g. the 15 N method) and the application of the Moessbauer spectroscopy. Physico-chemical problems are mainly dealt with in studies on interfacial reactions in connection with the absorption of hydrogen and on the diffusion of H 2 in different alloy systems. The properties of materials used for hydrogen storage were the subject of several research projects. 20 contributions were separately recorded for the data bank 'Energy'. (MM) [de

Thermodynamic and kinetics models of hydrogen absorption bound to phase transformations

International Nuclear Information System (INIS)

Gondor, G.; Lexcellent, Ch.

2007-01-01

In order to design hydrogen gaseous pressure tanks, the absorption (desorption) of hydrogen has to be described and modelled. The equilibrium state can be described by the 'H 2 gas pressure - H 2 composition in the intermetallic compounds - isotherms' (PCI) curves. Several models of PCI curves already exist. At the beginning of the absorption, the hydrogen atoms and the intermetallic compounds form a solid solution (α phase). When the hydrogen concentration increases, a phase transformation appears changing the α solid solution into an hydride (β phase) (solid solution + H 2 ↔ hydride). When all the solid solution has been transformed into hydride, the absorbed hydrogen atoms are in β phase. A new thermodynamic model has been developed in order to take into account this transition phase. The equilibrium state is then given by a relation between the H 2 gas pressure and the H 2 concentration in the intermetallic compound for a fixed external temperature. Two kinetics models have been developed too; at first has been considered that the kinetics depend only of the entire concentration in the intermetallic compound and of the difference between the applied pressure and the equilibrium pressure. Then, has been considered that the hydrogen concentration changes in the metallic matrix. In this last case, for each hydrogenation process, the absorption velocity is calculated to determine the slowest local process which regulates the local evolution of the hydrogen concentration. These two models are based on the preceding thermodynamic model of the PCI curves. (O.M.)

Hydrogen utilization potential in subsurface sediments

Directory of Open Access Journals (Sweden)

Rishi Ram Adhikari

2016-01-01

Full Text Available Subsurface microbial communities undertake many terminal electron-accepting processes, often simultaneously. Using a tritium-based assay, we measured the potential hydrogen oxidation catalyzed by hydrogenase enzymes in several subsurface sedimentary environments (Lake Van, Barents Sea, Equatorial Pacific and Gulf of Mexico with different predominant electron-acceptors. Hydrogenases constitute a diverse family of enzymes expressed by microorganisms that utilize molecular hydrogen as a metabolic substrate, product or intermediate. The assay reveals the potential for utilizing molecular hydrogen and allows qualitative detection of microbial activity irrespective of the predominant electron-accepting process. Because the method only requires samples frozen immediately after recovery, the assay can be used for identifying microbial activity in subsurface ecosystems without the need to preserve live material.We measured potential hydrogen oxidation rates in all samples from multiple depths at several sites that collectively span a wide range of environmental conditions and biogeochemical zones. Potential activity normalized to total cell abundance ranges over five orders of magnitude and varies, dependent upon the predominant terminal electron acceptor. Lowest per-cell potential rates characterize the zone of nitrate reduction and highest per-cell potential rates occur in the methanogenic zone. Possible reasons for this relationship to predominant electron acceptor include (i increasing importance of fermentation in successively deeper biogeochemical zones and (ii adaptation of H2ases to successively higher concentrations of H2 in successively deeper zones.

Introduction of 5'-terminal functional groups into synthetic oligonucleotides for selective immobilization

NARCIS (Netherlands)

Bischoff, Rainer; Coull, J.M.; Regnier, F.E.

1987-01-01

Oligodeoxyribonucleotides terminating in a 5'-primary amine group are synthesized using solid-phase supported phosphoramidite chemistry. The 5'-terminal amine group in the deprotected oligomers is further derivatized with either succinic anhydride to give 5'-carboxylic acid or with

The reductive decomposition of calcium sulphate I. Kinetics of the apparent solid-solid reaction

NARCIS (Netherlands)

Kamphuis, B.; Potma, A.W.; Prins, W.; van Swaaij, Willibrordus Petrus Maria

1992-01-01

The reductive decomposition of calcium sulphate by hydrogen is used for the regeneration of calcium-based atmospheric fluidized bed combustion (AFBC) SO2 sorbents. The apparent solid¿solid reaction between CaS and CaSO4, one of the steps involved in the reaction mechanism of the reductive

Hydrogen solubility in polycrystalline - and nonocrystalline niobium

International Nuclear Information System (INIS)

Ishikawa, T.T.; Silva, J.R.G. da

1981-01-01

Hydrogen solubility in polycrystalline and monocrystalline niobium was measured in the range 400 0 C to 1000 0 C at one atmosphere hydrogen partial pressure. The experimental technique consists of saturation of the solvent metal with hydrogen, followed by quenching and analysis of the solid solution. It is presented solubility curves versus reciprocal of the absolute doping temperature, associated with their thermodynamical equation. (Author) [pt

A batch assay to measure microbial hydrogen sulfide production from sulfur-containing solid wastes

International Nuclear Information System (INIS)

Sun, Mei; Sun, Wenjie; Barlaz, Morton A.

2016-01-01

Large volumes of sulfur-containing wastes enter municipal solid waste landfills each year. Under the anaerobic conditions that prevail in landfills, oxidized forms of sulfur, primarily sulfate, are converted to sulfide. Hydrogen sulfide (H 2 S) is corrosive to landfill gas collection and treatment systems, and its presence in landfill gas often necessitates the installation of expensive removal systems. For landfill operators to understand the cost of managing sulfur-containing wastes, an estimate of the H 2 S production potential is needed. The objective of this study was to develop and demonstrate a biochemical sulfide potential (BSP) test to measure the amount of H 2 S produced by different types of sulfur-containing wastes in a relatively fast (30 days) and inexpensive (125 mL serum bottles) batch assay. This study confirmed the toxic effect of H 2 S on both sulfate reduction and methane production in batch systems, and demonstrated that removing accumulated H 2 S by base adsorption was effective for mitigating inhibition. H 2 S production potentials of coal combustion fly ash, flue gas desulfurization residual, municipal solid waste combustion ash, and construction and demolition waste were determined in BSP assays. After 30 days of incubation, most of the sulfate in the wastes was converted to gaseous or aqueous phase sulfide, with BSPs ranging from 0.8 to 58.8 mL H 2 S/g waste, depending on the chemical composition of the samples. Selected samples contained solid phase sulfide which contributed to the measured H 2 S yield. A 60 day incubation in selected samples resulted in 39–86% additional sulfide production. H 2 S production measured in BSP assays was compared with that measured in simulated landfill reactors and that calculated from chemical analyses. H 2 S production in BSP assays and in reactors was lower than the stoichiometric values calculated from chemical composition for all wastes tested, demonstrating the importance of assays to estimate the

Solid hydrogen and deuterium. I. Ground-state energy calculated by a lowest order constrained-variation method

International Nuclear Information System (INIS)

Pettersen, G.; Oestgaard, E.

1988-01-01

The ground-state energy of solid hydrogen and deuterium is calculated by means of a modified variational lowest order constrained-variation (LOCV) method. Both fcc and hcp H 2 and D 2 are considered, and the calculations are done for five different two-body potentials. For solid H 2 we obtain theoretical results for the ground-state binding energy per particle from -74.9 K at an equilibrium particle density of 0.700 σ -3 or a molar volume of 22.3 cm 3 /mole to -91.3 K at a particle density of 0.725 σ -3 or a molar volume of 21.5 cm 3 /mole, where σ = 2.958 A. The corresponding experimental result is -92.3 K at a particle density of 0.688 σ -3 or a molar volume of 22.7 cm 3 /mole. For solid D 2 we obtain theoretical results for the ground-state binding energy per particle from -125.7 K at an equilibrium particle density of 0.830 σ -3 or a molar volume of 18.8 cm 3 /mole to -140.1 K at a particle density of 0.843 σ -3 or a molar volume of 18.5 cm 3 /mole. The corresponding experimental result is -137.9 K at a particle density of 0.797 σ -3 or a molar volume of 19.6 cm 3 /mole

Preparing interesting hydrocarbons by hydrogenation, etc

Energy Technology Data Exchange (ETDEWEB)

1938-02-15

Now, it has been found that gasoline and a combustible oil are produced by destructive hydrogenation of pastes prepared from solid carbonaceous materials and mixtures of middle oils and the mud in question, by regulating the composition of the products removed as vapors in a way that they contain at least the total new heavy oil formed in the course of the destructive hydrogenation and in using as mixing agent for the new raw material the mud proceeding from the operation and middle oil, having withdrawn from this mud all or part of the solid constituents. This destructive hydrogenation is carried out in a converter where a constant level of liquid is maintained, the vapors escaping at the top of the converter and the mud being drawn off at one or more places from the column of liquid undergoing reaction.

Liquid hydrogen production via hydrogen sulfide methane reformation

Science.gov (United States)

Huang, Cunping; T-Raissi, Ali

Hydrogen sulfide (H 2S) methane (CH 4) reformation (H 2SMR) (2H 2S + CH 4 = CS 2 + 4H 2) is a potentially viable process for the removal of H 2S from sour natural gas resources or other methane containing gases. Unlike steam methane reformation that generates carbon dioxide as a by-product, H 2SMR produces carbon disulfide (CS 2), a liquid under ambient temperature and pressure-a commodity chemical that is also a feedstock for the synthesis of sulfuric acid. Pinch point analyses for H 2SMR were conducted to determine the reaction conditions necessary for no carbon lay down to occur. Calculations showed that to prevent solid carbon formation, low inlet CH 4 to H 2S ratios are needed. In this paper, we analyze H 2SMR with either a cryogenic process or a membrane separation operation for production of either liquid or gaseous hydrogen. Of the three H 2SMR hydrogen production flowsheets analyzed, direct liquid hydrogen generation has higher first and second law efficiencies of exceeding 80% and 50%, respectively.

Exploration and exploitation of homologous series of bis(acrylamidoalkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions

Directory of Open Access Journals (Sweden)

Mousumi Garai

2015-09-01

Full Text Available The homologous series of phenyl and pyridyl substituted bis(acrylamidoalkanes have been synthesized with the aim of systematic analysis of their crystal structures and their solid-state [2 + 2] reactivities. The changes in the crystal structures with respect to a small change in the molecular structure, that is by varying alkyl spacers between acrylamides and/or by varying the end groups (phenyl, 2-pyridyl, 3-pyridyl, 4-pyridyl on the C-terminal of the amide, were analyzed in terms of hydrogen-bonding interference (N—H...Npy versus N—H...O=C and network geometries. In this series, a greater tendency towards the formation of N—H...O hydrogen bonds (β-sheets and two-dimensional networks over N—H...N hydrogen bonds was observed. Among all the structures seven structures were found to have the required alignments of double bonds for the [2 + 2] reaction such that the formations of single dimer, double dimer and polymer are facilitated. However, only four structures were found to exhibit such a solid-state [2 + 2] reaction to form a single dimer and polymers. The two-dimensional hydrogen-bonding layer via N—H...O hydrogen bonds was found to promote solid-state [2 + 2] photo-polymerization in a single-crystal-to-single-crystal manner. Such two-dimensional layers were encountered only when the spacer between acryl amide moieties is butyl. Only four out of the 16 derivatives were found to form hydrates, two each from 2-pyridyl and 4-pyridyl derivatives. The water molecules in these structures govern the hydrogen-bonding networks by the formation of an octameric water cluster and one-dimensional zigzag water chains. The trends in the melting points and densities were also analyzed.

Adsorption and diffusion of hydrogen in Zircaloy-4

International Nuclear Information System (INIS)

Torres, E.; Desquines, J.; Baietto, M.C.; Coret, M.; Wehling, F.; Blat-Yrieix, M.; Ambard, A.

2015-01-01

Hydrogen in zirconium alloys is considered in many nuclear safety issues. Below 500 Celsius degrees, rather limited knowledge is available on the combined hydrogen adsorption at the sample surface and diffusion in the metal. A modeling of hydrogen gaseous charging has been established starting with a set of relevant laws and parameters derived from open literature. Simulating the hydrogen charging process requires simultaneous analysis of gaseous surface adsorption, hydrogen solid-solution diffusion and precipitation, when exceeding the material solubility limit. The modeling has been extended to reproduce the solid-gas exchange. Gaseous charging experiments have been performed at 420 C. degrees on Stress Relieved Annealed (SRA) Zircaloy-4 cladding samples to validate the model. The sample hydrogen content has been systematically measured after charging and compared to the calculated value thus providing a validation of the adsorption modeling. Complementary tests have been carried out on Recrystallized Annealed (RXA) Zircaloy-4 rods to characterize the combined diffusion and adsorption process. The hydrogen concentration distribution has been characterized using an inverse technique based on destructive analyses of the samples. This additional set of data was relevant for the validation of the hydrogen combined adsorption/diffusion modeling up to 420 C. degrees. (authors)

Oils; destructive hydrogenation

Energy Technology Data Exchange (ETDEWEB)

1928-03-01

Coals, oil-shales, or other carbonaceous solids are dissolved in or extracted by solvents at temperatures over 200/sup 0/C, and under pressure, preferably over 30 atmospheres, in presence of halogens, hydrogen halides, or compounds setting free the halogen or halide under the conditions.

Extraction products of solid carbonaceous materials

Energy Technology Data Exchange (ETDEWEB)

1937-11-04

A method is described for the manufacture of liquid products from pressure extracts of solid carbon-containing material by destructive hydrogenation, characterized in that the pressure extracts are hydrogenated in admixture with products of high-molecular weight formed during a previous destructive hydrogenation of another part of the same or other pressure extract and which has been collected as liquid without extensive cooling of the hot products of the reaction, which came from the reaction chamber where the previous destructive hydrogenation took place.

Quantification of protein backbone hydrogen-deuterium exchange rates by solid state NMR spectroscopy

International Nuclear Information System (INIS)

Lopez del Amo, Juan-Miguel; Fink, Uwe; Reif, Bernd

2010-01-01

We present the quantification of backbone amide hydrogen-deuterium exchange rates (HDX) for immobilized proteins. The experiments make use of the deuterium isotope effect on the amide nitrogen chemical shift, as well as on proton dilution by deuteration. We find that backbone amides in the microcrystalline α-spectrin SH3 domain exchange rather slowly with the solvent (with exchange rates negligible within the individual 15 N-T 1 timescales). We observed chemical exchange for 6 residues with HDX exchange rates in the range from 0.2 to 5 s -1 . Backbone amide 15 N longitudinal relaxation times that we determined previously are not significantly affected for most residues, yielding no systematic artifacts upon quantification of backbone dynamics (Chevelkov et al. 2008b). Significant exchange was observed for the backbone amides of R21, S36 and K60, as well as for the sidechain amides of N38, N35 and for W41ε. These residues could not be fit in our previous motional analysis, demonstrating that amide proton chemical exchange needs to be considered in the analysis of protein dynamics in the solid-state, in case D 2 O is employed as a solvent for sample preparation. Due to the intrinsically long 15 N relaxation times in the solid-state, the approach proposed here can expand the range of accessible HDX rates in the intermediate regime that is not accessible so far with exchange quench and MEXICO type experiments.

Formation of stable Si–O–C submonolayers on hydrogen-terminated silicon(111 under low-temperature conditions

Directory of Open Access Journals (Sweden)

Yit Lung Khung

2015-01-01

Full Text Available In this letter, we report results of a hydrosilylation carried out on bifunctional molecules by using two different approaches, namely through thermal treatment and photochemical treatment through UV irradiation. Previously, our group also demonstrated that in a mixed alkyne/alcohol solution, surface coupling is biased towards the formation of Si–O–C linkages instead of Si–C linkages, thus indirectly supporting the kinetic model of hydrogen abstraction from the Si–H surface (Khung, Y. L. et al. Chem. – Eur. J. 2014, 20, 15151–15158. To further examine the probability of this kinetic model we compare the results from reactions with bifunctional alkynes carried out under thermal treatment (<130 °C and under UV irradiation, respectively. X-ray photoelectron spectroscopy and contact angle measurements showed that under thermal conditions, the Si–H surface predominately reacts to form Si–O–C bonds from ethynylbenzyl alcohol solution while the UV photochemical route ensures that the alcohol-based alkyne may also form Si–C bonds, thus producing a monolayer of mixed linkages. The results suggested the importance of surface radicals as well as the type of terminal group as being essential towards directing the nature of surface linkage.

Experimental Challenges in Studying Hydrogen Absorption in Ultrasmall Metal Nanoparticles

International Nuclear Information System (INIS)

Zlotea, Claudia; Oumellal, Yassine; Provost, Karine; Ghimbeu, Camelia Matei

2016-01-01

Recent advances on synthesis, characterization, and hydrogen absorption properties of ultrasmall metal nanoparticles (defined here as objects with average size ≤3 nm) are briefly reviewed in the first part of this work. The experimental challenges encountered in performing accurate measurements of hydrogen absorption in Mg- and noble metal-based ultrasmall nanoparticles are addressed. The second part of this work reports original results obtained for ultrasmall bulk-immiscible Pd–Rh nanoparticles. Carbon-supported Pd–Rh nanoalloys in the whole binary chemical composition range have been successfully prepared by liquid impregnation method followed by reduction at 300°C. EXAFS investigations suggested that the local structure of these nanoalloys is partially segregated into Rh-rich core and Pd-rich surface coexisting within the same nanoparticles. Downsizing to ultrasmall dimensions completely suppresses the hydride formation in Pd-rich nanoalloys at ambient conditions, contrary to bulk and larger nanosized (5–6 nm) counterparts. The ultrasmall Pd 90 Rh 10 nanoalloy can absorb hydrogen-forming solid solutions under these conditions, as suggested by in situ X-ray diffraction (XRD). Apart from this composition, common laboratory techniques, such as in situ XRD, DSC, and PCI, failed to clarify the hydrogen interaction mechanism: either adsorption on developed surfaces or both adsorption and absorption with formation of solid solutions. Concluding insights were brought by in situ EXAFS experiments at synchrotron: ultrasmall Pd 75 Rh 25 and Pd 50 Rh 50 nanoalloys absorb hydrogen-forming solid solutions at ambient conditions. Moreover, the hydrogen solubility in these solid solutions is higher with increasing Pd content, and this trend can be understood in terms of hydrogen preferential occupation in the Pd-rich regions, as suggested by in situ EXAFS. The Rh-rich nanoalloys (Pd 25 Rh 75 and Pd 10 Rh 90 ) only adsorb hydrogen on the developed surface of ultrasmall

GAT 4 production and storage of hydrogen. Report July 2004; GAT 4 procduction et stockage de l'hydrogene. Rapport juillet 2004

Energy Technology Data Exchange (ETDEWEB)

NONE

2004-07-01

This paper concerns two aspects of the hydrogen: the production and the storage. For both parts the challenges and a state of the art are presented. It discusses also the hydrogen production by renewable energies, by solar energy, the hydrogen of hydrocarbons reforming purification, active phases development, thermal transfer simulation. Concerning the hydrogen storage the hydrogen adsorption by large surface solid, the storage by metallic hydrides, the alanates and light hydrides, the adsorption on carbon nano-tubes, the storage in nano-structures, the thermal and mechanical simulation of the hydrogen are presented. (A.L.B.)

Internal friction and Young's modulus measurements in Zr-2.5Nb alloy doped with hydrogen

International Nuclear Information System (INIS)

Ritchie, I.G.; Pan, Z.-L.

1992-01-01

The presence of hydrides is an important factor in assessing the potential for delayed hydride cracking in Zr-2.5Nb alloys, and consequently, the terminal solid solubility (TSS) of hydrogen in the material is an important parameter. In pure zirconium doped with hydrogen, the TSS is marked by a dissolution peak of internal friction on heating and a truncated precipitation peak associated with hydride nucleation on cooling. These phenomena occur only at low frequencies and are accompanied in torsion pendulum studies by autotwisting of the sample (or zero-point drift) that stops abruptly at the TSS. Neither the dissolution/precipitation peaks nor the autotwisting phenomena are observed in Zr-2.5Nb. However, the TSS is also marked by an abrupt change in the slope of Young's modulus as a function of temperature. This phenomenon is observed regardless of the frequency (in the range 1 Hz to 120 kHz) and in both pure zirconium and Zr-2.5Nb alloys. The reasons for the absence of the dissolution/precipitation peak in Zr-2.5Nb alloys are discussed and the use of Young's modulus changes to investigate the TSS of hydrogen and the hysteresis between heat-up and cool-down TSS curves is demonstrated. (author)

Hydrogen termination of CVD diamond films by high-temperature annealing at atmospheric pressure

NARCIS (Netherlands)

Seshan, V.; Ullien, D.; Castellanos-Gomez, A.; Sachdeva, S.; Murthy, D.H.K.; Savenije, T.J.; Ahmad, H.A.; Nunney, T.S.; Janssens, S.D.; Haenen, K.; Nesládek, M.; Van der Zant, H.S.J.; Sudhölter, E.J.R.; De Smet, L.C.P.M.

2013-01-01

A high-temperature procedure to hydrogenate diamond films using molecular hydrogen at atmospheric pressure was explored. Undoped and doped chemical vapour deposited (CVD) polycrystalline diamond films were treated according to our annealing method using a H2 gas flow down to ?50 ml/min (STP) at

The car on hydrogen: problems and solutions

International Nuclear Information System (INIS)

Koroteev, A.S.; Smolyarov, V.A.

2004-01-01

Development of the hydrogen power for transformation of the most power-consumption branch of the industry and transport into new power source - hydrogen as strategy direction for the reduction of pollution of environment and deficit of oil motor fuel is considered. On the basis of comparison of different type of electrochemical generators conclusion on advantages of electrochemical generator with solid polymer membrane was made. Different systems of hydrogen storage in automobile are considered. The system of the gaseous hydrogen storage at high pressure in cistern from composite materials is the most promise [ru

Hydrogen-bromine fuel cell advance component development

Science.gov (United States)

Charleston, Joann; Reed, James

1988-01-01

Advanced cell component development is performed by NASA Lewis to achieve improved performance and longer life for the hydrogen-bromine fuel cells system. The state-of-the-art hydrogen-bromine system utilizes the solid polymer electrolyte (SPE) technology, similar to the SPE technology developed for the hydrogen-oxygen fuel cell system. These studies are directed at exploring the potential for this system by assessing and evaluating various types of materials for cell parts and electrode materials for Bromine-hydrogen bromine environment and fabricating experimental membrane/electrode-catalysts by chemical deposition.

Hydrogen absorption in Ce{sub x}Gd{sub 1-x} alloys

Energy Technology Data Exchange (ETDEWEB)

Bereznitsky, M. [Department of Nuclear Engineering, Ben Gurion University of the Negev, P.O. Box 653, Beer Sheva 84105 (Israel); Bloch, J. [Nuclear Research Center-Negev, P.O. Box 9001, Beer Sheva 84190 (Israel); Yonovich, M. [Department of Nuclear Engineering, Ben Gurion University of the Negev, P.O. Box 653, Beer Sheva 84105 (Israel); Schweke, D. [Nuclear Research Center-Negev, P.O. Box 9001, Beer Sheva 84190 (Israel); Mintz, M.H. [Department of Nuclear Engineering, Ben Gurion University of the Negev, P.O. Box 653, Beer Sheva 84105 (Israel); Nuclear Research Center-Negev, P.O. Box 9001, Beer Sheva 84190 (Israel); Jacob, I., E-mail: izi@bgu.ac.il [Department of Nuclear Engineering, Ben Gurion University of the Negev, P.O. Box 653, Beer Sheva 84105 (Israel)

2012-08-15

Highlights: Black-Right-Pointing-Pointer Ce{sub x}Gd{sub 1-x} alloys exhibit the most negative heats of hydride formation ever found. Black-Right-Pointing-Pointer Thermodynamics of H absorption in Ce{sub x}Gd{sub 1-x} correlates with the alloys hardness. Black-Right-Pointing-Pointer The entropies of H solution and hydride formation reflect the hydrogen vibrations. Black-Right-Pointing-Pointer Terminal hydrogen solubilities change in a monotonic way between Ce and Gd. - Abstract: The effect of alloying on the thermodynamics of hydrogen absorption was studied for Ce{sub x}Gd{sub 1-x} alloys (0 {<=} x {<=} 1) at temperatures between 850 K and 1050 K in the 1-10{sup -4} Torr pressure range. The temperature-dependent hydrogen solubilities and plateau pressures for hydride formation were obtained from hydrogen absorption isotherms. The terminal hydrogen solubility (THS) at a given temperature changes in a monotonic way as a function of x. It is approximately three times higher in Gd, than in Ce, throughout the investigated temperature range. This monotonic behavior is opposed to that of many other substitutional alloys, for which the hydrogen terminal solubility increases with increasing solute concentrations. The enthalpies, {Delta}H{sub f}, and the entropies, {Delta}S{sub f}, of the dihydride formation exhibit a pronounced and broad negative minimum starting at x Almost-Equal-To 0.15, yielding the most negative {Delta}H{sub f} values ever found for metal hydrides. On the other hand, the enthalpies and entropies of ideal solution display a positive trend at x = 0.15 and x = 0.3. Both behaviors are considered in view of a reported distinct variation of the Ce{sub x}Gd{sub 1-x} hardness as a function of x. The particular compositional variations of the entropies of solution and formation as a function of x reflect most likely the vibrational properties of the hydrogen atoms in the metal matrices.

Hydrogen Car Cartridges: A New Strategy for Hydrogen Storage, Delivering and Refueling

Energy Technology Data Exchange (ETDEWEB)

Prosini, Pier Paolo

2007-07-01

The purpose of the project is to introduce a sustainable model in the automotive field, guarantying the Kyoto agreements. The aim of the project is to develop an innovative hydrogen tank able to power an hydrogen fuel cell car with the same performance of liquid fuelled cars. Most of the system performance are expected to satisfy the Department of Energy (DOE) goals for 2015. The hydrogen releasing system is based on solid NaBH4 which is hydrolyzed with water or steam to obtain hydrogen. Sodium borate is obtained as by-product and it has to be recycled. Pure and humidified hydrogen, ready to be utilized in a fuel cell, is obtained by a simple and sure way. Hydrogen is produced only when it is requested and therefore there is never pressurized hydrogen or hydrogen overproduction The system works at atmospheric pressure avoiding the problems related to handling and storing pressurized gas. The car fuelling could be performed in area like the present service stations. The used cartridges can be removed and substituted by new cartridges. Contemporarily a water tank should be refilled. To improve the total energetic yield it was also proposed a NaBH4 regeneration process directly starting from the products of hydrolysis. (auth)

The development of a solid-state hydrogen sensor for rocket engine leakage detection

Science.gov (United States)

Liu, Chung-Chiun

1994-01-01

Hydrogen propellant leakage poses significant operational problems in the rocket propulsion industry as well as for space exploratory applications. Vigorous efforts have been devoted to minimizing hydrogen leakage in assembly, test, and launch operations related to hydrogen propellant. The objective has been to reduce the operational cost of assembling and maintaining hydrogen delivery systems. Specifically, efforts have been made to develop a hydrogen leak detection system for point-contact measurement. Under the auspices of Lewis Research Center, the Electronics Design Center at Case Western Reserve University, Cleveland, Ohio, has undertaken the development of a point-contact hydrogen gas sensor with potential applications to the hydrogen propellant industry. We envision a sensor array consisting of numbers of discrete hydrogen sensors that can be located in potential leak sites. Silicon-based microfabrication and micromachining techniques are used in the fabrication of these sensor prototypes. Evaluations of the sensor are carried out in-house at Case Western Reserve University as well as at Lewis Research Center and GenCorp Aerojet, Sacramento, California. The hydrogen gas sensor is not only applicable in a hydrogen propulsion system, but also usable in many other civilian and industrial settings. This includes vehicles or facility use, or in the production of hydrogen gas. Dual space and commercial uses of these point-contacted hydrogen sensors are feasible and will directly meet the needs and objectives of NASA as well as various industrial segments.

The development of a solid-state hydrogen sensor for rocket engine leakage detection

Science.gov (United States)

Liu, Chung-Chiun

Hydrogen propellant leakage poses significant operational problems in the rocket propulsion industry as well as for space exploratory applications. Vigorous efforts have been devoted to minimizing hydrogen leakage in assembly, test, and launch operations related to hydrogen propellant. The objective has been to reduce the operational cost of assembling and maintaining hydrogen delivery systems. Specifically, efforts have been made to develop a hydrogen leak detection system for point-contact measurement. Under the auspices of Lewis Research Center, the Electronics Design Center at Case Western Reserve University, Cleveland, Ohio, has undertaken the development of a point-contact hydrogen gas sensor with potential applications to the hydrogen propellant industry. We envision a sensor array consisting of numbers of discrete hydrogen sensors that can be located in potential leak sites. Silicon-based microfabrication and micromachining techniques are used in the fabrication of these sensor prototypes. Evaluations of the sensor are carried out in-house at Case Western Reserve University as well as at Lewis Research Center and GenCorp Aerojet, Sacramento, California. The hydrogen gas sensor is not only applicable in a hydrogen propulsion system, but also usable in many other civilian and industrial settings. This includes vehicles or facility use, or in the production of hydrogen gas. Dual space and commercial uses of these point-contacted hydrogen sensors are feasible and will directly meet the needs and objectives of NASA as well as various industrial segments.

A batch assay to measure microbial hydrogen sulfide production from sulfur-containing solid wastes

Energy Technology Data Exchange (ETDEWEB)

Sun, Mei, E-mail: msun8@uncc.edu [Department of Civil, Construction, and Environmental Engineering, North Carolina State University, Campus Box 7908, Raleigh, NC (United States); Sun, Wenjie, E-mail: wsun@smu.edu [Department of Civil, Construction, and Environmental Engineering, North Carolina State University, Campus Box 7908, Raleigh, NC (United States); Department of Civil and Environmental Engineering, Southern Methodist University, PO Box 750340, Dallas, TX (United States); Barlaz, Morton A., E-mail: barlaz@ncsu.edu [Department of Civil, Construction, and Environmental Engineering, North Carolina State University, Campus Box 7908, Raleigh, NC (United States)

2016-05-01

Large volumes of sulfur-containing wastes enter municipal solid waste landfills each year. Under the anaerobic conditions that prevail in landfills, oxidized forms of sulfur, primarily sulfate, are converted to sulfide. Hydrogen sulfide (H{sub 2}S) is corrosive to landfill gas collection and treatment systems, and its presence in landfill gas often necessitates the installation of expensive removal systems. For landfill operators to understand the cost of managing sulfur-containing wastes, an estimate of the H{sub 2}S production potential is needed. The objective of this study was to develop and demonstrate a biochemical sulfide potential (BSP) test to measure the amount of H{sub 2}S produced by different types of sulfur-containing wastes in a relatively fast (30 days) and inexpensive (125 mL serum bottles) batch assay. This study confirmed the toxic effect of H{sub 2}S on both sulfate reduction and methane production in batch systems, and demonstrated that removing accumulated H{sub 2}S by base adsorption was effective for mitigating inhibition. H{sub 2}S production potentials of coal combustion fly ash, flue gas desulfurization residual, municipal solid waste combustion ash, and construction and demolition waste were determined in BSP assays. After 30 days of incubation, most of the sulfate in the wastes was converted to gaseous or aqueous phase sulfide, with BSPs ranging from 0.8 to 58.8 mL H{sub 2}S/g waste, depending on the chemical composition of the samples. Selected samples contained solid phase sulfide which contributed to the measured H{sub 2}S yield. A 60 day incubation in selected samples resulted in 39–86% additional sulfide production. H{sub 2}S production measured in BSP assays was compared with that measured in simulated landfill reactors and that calculated from chemical analyses. H{sub 2}S production in BSP assays and in reactors was lower than the stoichiometric values calculated from chemical composition for all wastes tested, demonstrating

Can aqueous hydrogen peroxide be used as a stand-alone energy source?

International Nuclear Information System (INIS)

Disselkamp, Robert S.

2010-01-01

A novel electrochemical scheme to convert a stand-alone supply of aqueous hydrogen peroxide into a fuel cell-ready stream of hydrogen gas plus aqueous hydrogen peroxide is described. The electrochemical cell, consisting of a solid base and solid acid electrocatalyst, together with a proton exchange membrane, comprise the system that converts aqueous hydrogen peroxide into separate gas streams of oxygen and hydrogen. Aqueous hydrogen peroxide is contained in the anode compartment only and exists in the region where oxygen gas is formed, whereas the cathode compartment is where hydrogen gas is generated and therefore exists in a reduced state. A near zero theoretical over-potential can be achieved by the choice of basicity and acidity of the electrode materials. The primary cost of the electrochemical cell is electrode construction and the aqueous hydrogen peroxide energy storage compound. Additional research effort is required to experimentally validate the concept and explore the full economic impact should initial studies, based on the design presented here, prove promising. (author)

Mechanochemical synthesis of nanostructured chemical hydrides in hydrogen alloying mills

International Nuclear Information System (INIS)

Wronski, Z.; Varin, R.A.; Chiu, C.; Czujko, T.; Calka, A.

2007-01-01

Mechanical alloying of magnesium metal powders with hydrogen in specialized hydrogen ball mills can be used as a direct route for mechanochemical synthesis of emerging chemical hydrides and hydride mixtures for advanced solid-state hydrogen storage. In the 2Mg-Fe system, we have successfully synthesized the ternary complex hydride Mg 2 FeH 6 in a mixture with nanometric Fe particles. The mixture of complex magnesium-iron hydride and nano-iron released 3-4 wt.%H 2 in a thermally programmed desorption experiment at the range 285-295 o C. Milling of the Mg-2Al powder mixture revealed a strong competition between formation of the Al(Mg) solid solution and the β-MgH 2 hydride. The former decomposes upon longer milling as the Mg atoms react with hydrogen to form the hydride phase, and drive the Al out of the solid solution. The mixture of magnesium dihydride and nano-aluminum released 2.1 wt.%H 2 in the temperature range 329-340 o C in the differential scanning calorimetry experiment. The formation of MgH 2 was suppressed in the Mg-B system; instead, a hydrogenated amorphous phase (Mg,B)H x , was formed in a mixture with nanometric MgB 2 . Annealing of the hydrogen-stabilized amorphous mixture produced crystalline MgB 2

Liquid hydrogen production via hydrogen sulfide methane reformation

Energy Technology Data Exchange (ETDEWEB)

Huang, Cunping; T-Raissi, Ali [University of Central Florida, Florida Solar Energy Center, 1769 Clearlake Road, Cocoa, FL 32922 (United States)

2008-01-03

Hydrogen sulfide (H{sub 2}S) methane (CH{sub 4}) reformation (H{sub 2}SMR) (2H{sub 2}S + CH{sub 4} = CS{sub 2} + 4H{sub 2}) is a potentially viable process for the removal of H{sub 2}S from sour natural gas resources or other methane containing gases. Unlike steam methane reformation that generates carbon dioxide as a by-product, H{sub 2}SMR produces carbon disulfide (CS{sub 2}), a liquid under ambient temperature and pressure - a commodity chemical that is also a feedstock for the synthesis of sulfuric acid. Pinch point analyses for H{sub 2}SMR were conducted to determine the reaction conditions necessary for no carbon lay down to occur. Calculations showed that to prevent solid carbon formation, low inlet CH{sub 4} to H{sub 2}S ratios are needed. In this paper, we analyze H{sub 2}SMR with either a cryogenic process or a membrane separation operation for production of either liquid or gaseous hydrogen. Of the three H{sub 2}SMR hydrogen production flowsheets analyzed, direct liquid hydrogen generation has higher first and second law efficiencies of exceeding 80% and 50%, respectively. (author)

Hydrogen analysis by elastic recoil spectrometry

International Nuclear Information System (INIS)

Tirira, J.; Trocellier, P.

1989-01-01

An absolute, quantitative procedure was developed to determine the hydrogen content and to describe its concentration profile in the near-surface region of solids. The experimental technique used was the elastic recoil detection analysis of protons induced by 4 He beam bombardment in the energy range <=1.8 MeV. The hydrogen content was calculated using a new recoil cross section expression. The analyses were performed in silicon crystals implanted with hydrogen at 10 keV. The implantation dose was evaluated with an accuracy of 10% and the hydrogen depth profile with that of +-10 nm around 200 nm. (author) 10 refs.; 3 figs

Dissolved hydrogen and oxygen sensors using semiconductor devices

International Nuclear Information System (INIS)

Hara, Nobuyoshi; Sugimoto, Katsuhisa

1995-01-01

The concentrations of DH and DO in aqueous solution are the factors that determine the equilibrium potential of hydrogen and oxygen electrode reactions, respectively, and are the quantities which directly related to the rates of hydrogen generation type and oxygen consumption type corrosion reactions, therefore, they have the important meaning in the electrochemistry of corrosion. In the hydrogen injection into BWR cooling water, the concentration of hydrogen must be controlled strictly, accordingly DH and DO sensors and electrochemical potential sensors are required. For the chemical sensors used in reactor cooling water, the perfectly solid state sensors made of high corrosion resistance materials, which are small size and withstand high temperature and high pressure, must be developed. The structure and the characteristics of the semiconductor devices used as gas sensors, and the principles of DH and DO sensors are described. If the idea of porous or discontinuous membrane gate is developed, the ion sensor of solid structure with one-body reference electrode may be made. (K.I.)

The electronic structures of solids

CERN Document Server

Coles, B R

2013-01-01

The Electronic Structures of Solids aims to provide students of solid state physics with the essential concepts they will need in considering properties of solids that depend on their electronic structures and idea of the electronic character of particular materials and groups of materials. The book first discusses the electronic structure of atoms, including hydrogen atom and many-electron atom. The text also underscores bonding between atoms and electrons in metals. Discussions focus on bonding energies and structures in the solid elements, eigenstates of free-electron gas, and electrical co

Chemical reaction on solid surface observed through isotope tracer technique

International Nuclear Information System (INIS)

Tanaka, Ken-ichi

1983-01-01

In order to know the role of atoms and ions on solid surfaces as the partners participating in elementary processes, the literatures related to the isomerization and hydrogen exchanging reaction of olefines, the hydrogenation of olefines, the metathesis reaction and homologation of olefines based on solid catalysts were reviewed. Various olefines, of which the hydrogen atoms were substituted with deuterium at desired positions, were reacted using various solid catalysts such as ZnO, K 2 CO 3 on C, MoS 2 (single crystal and powder) and molybdenum oxide (with various carriers), and the infra-red spectra of adsorbed olefines on catalysts, the isotope composition of reaction products and the production rate of the reaction products were measured. From the results, the bonding mode of reactant with the atoms and ions on solid surfaces, and the mechanism of the elementary process were considered. The author emphasized that the mechanism of the chemical reaction on solid surfaces and the role of active points or catalysts can be made clear to the considerable extent by combining isotopes suitably. (Yoshitake, I.)

Re-fermentation of washed spent solids from batch hydrogenogenic fermentation for additional production of biohydrogen from the organic fraction of municipal solid waste.

Science.gov (United States)

Muñoz-Páez, Karla M; Ríos-Leal, Elvira; Valdez-Vazquez, Idania; Rinderknecht-Seijas, Noemí; Poggi-Varaldo, Héctor M

2012-03-01

In the first batch solid substrate anaerobic hydrogenogenic fermentation with intermittent venting (SSAHF-IV) of the organic fraction of municipal solid waste (OFMSW), a cumulative production of 16.6 mmol H(2)/reactor was obtained. Releases of hydrogen partial pressure first by intermittent venting and afterward by flushing headspace of reactors with inert gas N(2) allowed for further hydrogen production in a second to fourth incubation cycle, with no new inoculum nor substrate nor inhibitor added. After the fourth cycle, no more H(2) could be harvested. Interestingly, accumulated hydrogen in 4 cycles was 100% higher than that produced in the first cycle alone. At the end of incubation, partial pressure of H(2) was near zero whereas high concentrations of organic acids and solvents remained in the spent solids. So, since approximate mass balances indicated that there was still a moderate amount of biodegradable matter in the spent solids we hypothesized that the organic metabolites imposed some kind of inhibition on further fermentation of digestates. Spent solids were washed to eliminate organic metabolites and they were used in a second SSAHF-IV. Two more cycles of H(2) production were obtained, with a cumulative production of ca. 2.4 mmol H(2)/mini-reactor. As a conclusion, washing of spent solids of a previous SSAHF-IV allowed for an increase of hydrogen production by 15% in a second run of SSAHF-IV, leading to the validation of our hypothesis. Copyright © 2011 Elsevier Ltd. All rights reserved.

Structural isotopic effect of the α/β-phase transition in the vanadium hydride and its influence on the equilibrium coefficient of separation of hydrogen isotopes in the gas-solid system

International Nuclear Information System (INIS)

Magomedbekov, Eh.P.; Bochkarev, A.V.

1999-01-01

Equilibrium coefficient of hydrogen isotope separation (α H-D ) in the system of vanadium hydride VH n (solid, n ∼ 0.7)-H 2 (g) is measured by the counterbalancing method in a circulation facility and by the method of laser desorption at 298, 373, and 437 K. It is shown that the combination of highly anharmonic potential in the lattice octahedral sites and in significant difference in the energy of hydrogen atom coordination for tetra- and octahedral sites is the reason for unusual behaviour of the hydrogen isotope separation coefficient and the difference in crystal structures of vanadium hydride and deuteride [ru

Production and Innovative Applications of Cryogenic Solid Pellets

International Nuclear Information System (INIS)

Baylor, L.R.; Combs, S.K.; Fisher, P.W.; Foster, C.A.; Foust, C.R.; Gouge, M.J.; Milora, S.L.

1999-01-01

For over two decades Oak Ridge National Laboratory has been developing cryogenic pellet injectors for fueling hot, magnetic fusion plasmas. Cryogenic solid pellets of all three hydrogen isotopes have been produced in a size range of 1- to 10-mm diameter and accelerated to speeds from <100 to ∼3000 m/s. The pellets have been formed discretely by cryocondensation in gun barrels and also by extrusion of cryogenic solids at mass flow rates up to ∼0.26 g/s and production rates up to ten pellets per second. The pellets traverse the hot plasma in a fraction of a millisecond and continuously ablate, providing fresh hydrogenic fuel to the interior of the plasma. From this initial application, uses of this technology have expanded to include (1) cryogenic xenon drops or solids for use as a debris-less target in a laser plasma source of X-rays for advanced lithography systems, (2) solid argon and carbon dioxide pellets for surface cleaning or decontamination, and (3) methane pellets in a liquid hydrogen bath for use as an innovative moderator of cold neutrons. Methods of production and acceleration/transport of these cryogenic solids will be described, and examples will be given of their use in prototype systems

Krypton retention on solid adsorbents

International Nuclear Information System (INIS)

Monson, P.R. Jr.

1982-01-01

An experimental laboratory program was conducted to develop economical solid adsorbents for the retention of krypton from a dissolver off-gas stream. The study indicates that a solid adsorbent system is feasible and competitive with other developing systems which utilize fluorocarbon absorption nd cryogenic distillation. This technology may have potential applications not only in nuclear fuel reprocessing plants, but also in nuclear reactors and in environmental monitoring. Of the 13 prospective adsorbents evaluated with respect to adsorption capacity and cost, the commercially available hydrogen mordenite was the most cost-effective material at subambient temperatures (-40 0 to -80 0 C). Silver mordenite has a higher capacity for krypton retention, but is 50 times more expensive than hydrogen mordenite

Calculations of Total and Differential Solid Angles for a Proton Recoil Solid State Detector

Energy Technology Data Exchange (ETDEWEB)

Konijn, J; Lauber, A; Tollander, B

1963-08-15

The solid angles have been computed for a proton recoil counter consisting of a circular hydrogenous foil viewed by an isotropic neutron point source at different distances from the target foil. Tables are given for the total subtended solid angle as well as the differential energy distribution function of the proton recoil spectrum. The influence of finite foil thickness has also been studied.

Preparation and characterization of a novel polymeric based solid-solid phase change heat storage material

International Nuclear Information System (INIS)

Xi Peng; Gu Xiaohua; Cheng Bowen; Wang Yufei

2009-01-01

Here we reported a two-step procedure for preparing a novel polymeric based solid-solid phase change heat storage material. Firstly, a copolymer monomer containing a polyethylene glycol monomethyl ether (MPEG) phase change unit and a vinyl unit was synthesized via the modification of hydrogen group of MPEG. Secondly, by copolymerization of the copolymer monomer and phenyl ethylene, a novel polymeric based solid-solid phase change heat storage material was prepared. The composition, structure and properties of the novel polymeric based solid-solid phase change material were characterized by IR, 1 H NMR, DSC, WAXD, and POM, respectively. The results show that the novel polymeric based solid-solid phase change material possesses of excellent crystal properties and high phase change enthalpy.

Muonium and hydrogen defect centres in solids

International Nuclear Information System (INIS)

Cox, S.F.J.

1990-12-01

Hydrogen and its light isotope, muonium, may both be observed in insulating crystals as trapped interstitial atoms. Their difference in mass gives rise to a small dynamic isotope effect in hyperfine coupling constant and a large difference in diffusive behaviour - muonium showing in some lattices a striking minimum in mobility versus temperature. Muonium may still be detected as isolated paramagnetic centres in the semiconductors whereas information on hydrogen in these materials is restricted to diamagnetic states in association with other impurities. Arguably one of the most significant findings of the muonium spin rotation technique is the coexistence of two distinct types of muonium centre in many of the tetrahedrally co-ordinated lattices. In literature spanning more than a decade, the isotropic state was described as ''normal'' muonium and assigned to the tetrahedral interstitial site, while the nature of the ''anomalous'' anisotropic state remained a puzzle. Within the last few years the situation has entirely reversed: the anisotropic state has been recognised as the more stable of the two and its electronic structure and (bond-centre) location have been well established, whereas the precise location of the isotropic state and the nature of its metastability have become open questions. (author)

Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes.

Science.gov (United States)

Stevens, Joanna S; Byard, Stephen J; Seaton, Colin C; Sadiq, Ghazala; Davey, Roger J; Schroeder, Sven L M

2014-01-21

The properties of nitrogen centres acting either as hydrogen-bond or Brønsted acceptors in solid molecular acid-base complexes have been probed by N 1s X-ray photoelectron spectroscopy (XPS) as well as (15)N solid-state nuclear magnetic resonance (ssNMR) spectroscopy and are interpreted with reference to local crystallographic structure information provided by X-ray diffraction (XRD). We have previously shown that the strong chemical shift of the N 1s binding energy associated with the protonation of nitrogen centres unequivocally distinguishes protonated (salt) from hydrogen-bonded (co-crystal) nitrogen species. This result is further supported by significant ssNMR shifts to low frequency, which occur with proton transfer from the acid to the base component. Generally, only minor chemical shifts occur upon co-crystal formation, unless a strong hydrogen bond is formed. CASTEP density functional theory (DFT) calculations of (15)N ssNMR isotropic chemical shifts correlate well with the experimental data, confirming that computational predictions of H-bond strengths and associated ssNMR chemical shifts allow the identification of salt and co-crystal structures (NMR crystallography). The excellent agreement between the conclusions drawn by XPS and the combined CASTEP/ssNMR investigations opens up a reliable avenue for local structure characterization in molecular systems even in the absence of crystal structure information, for example for non-crystalline or amorphous matter. The range of 17 different systems investigated in this study demonstrates the generic nature of this approach, which will be applicable to many other molecular materials in organic, physical, and materials chemistry.

Solid-state amorphization of SmFe{sub 3} by hydrogenation

Energy Technology Data Exchange (ETDEWEB)

Mueller, K.H.; Kubis, M.; Handstein, A.; Gutfleisch, O.

2000-05-10

Hydrogen-induced amorphization (HIA) has received much attention as a method for the preparation of amorphous compounds since its discovery by Yeh et al. Meanwhile it has been observed for a large number of intermetallic compounds with C15, C23, B8{sub 2}, DO{sub 19} and L1{sub 2} structures. E.G. the C15 Laves-type compounds (MgCu{sub 2}-type structure) of rare earth (R) - transition metal (T) compounds RT{sub 2} show HIA for R = Y, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho and Er. Aoki et al. postulated that new amorphizing compounds can be expected at high hydrogen pressures. In this work, the structural changes of SmFe{sub 3} (PuNi{sub 3}-type structure) during heating in high hydrogen pressures are reported.

Unusual hydrogen bonding in L-cysteine hydrogen fluoride.

Science.gov (United States)

Minkov, V S; Ghazaryan, V V; Boldyreva, E V; Petrosyan, A M

2015-08-01

L-Cysteine hydrogen fluoride, or bis(L-cysteinium) difluoride-L-cysteine-hydrogen fluoride (1/1/1), 2C3H8NO2S(+)·2F(-)·C3H7NO2S·HF or L-Cys(+)(L-Cys···L-Cys(+))F(-)(F(-)...H-F), provides the first example of a structure with cations of the 'triglycine sulfate' type, i.e. A(+)(A···A(+)) (where A and A(+) are the zwitterionic and cationic states of an amino acid, respectively), without a doubly charged counter-ion. The salt crystallizes in the monoclinic system with the space group P2(1). The dimeric (L-Cys···L-Cys(+)) cation and the dimeric (F(-)···H-F) anion are formed via strong O-H···O or F-H···F hydrogen bonds, respectively, with very short O···O [2.4438 (19) Å] and F···F distances [2.2676 (17) Å]. The F···F distance is significantly shorter than in solid hydrogen fluoride. Additionally, there is another very short hydrogen bond, of O-H···F type, formed by a L-cysteinium cation and a fluoride ion. The corresponding O···F distance of 2.3412 (19) Å seems to be the shortest among O-H···F and F-H···O hydrogen bonds known to date. The single-crystal X-ray diffraction study was complemented by IR spectroscopy. Of special interest was the spectral region of vibrations related to the above-mentioned hydrogen bonds.

Process chemistry related to hydrogen isotopes

International Nuclear Information System (INIS)

Iwasaki, Matae; Ogata, Yukio

1991-01-01

Hydrogen isotopes, that is, protium, deuterium and tritium, are all related deeply to energy in engineering region. Deuterium and tritium exist usually as water in extremely thin state. Accordingly, the improvement of the technology for separating these isotopes is a large engineering subject. Further, tritium is radioactive and its half-life period is 12.26 years, therefore, it is desirable to fix it in more stable form besides its confinement in the handling system. As the chemical forms of hydrogen, the molecular hydrogen with highest reactivity, metal hydride, carbon-hydrogen-halogen system compounds, various inorganic hydrides, most stable water and hydroxides are enumerated. The grasping of the behavior from reaction to stable state of these hydrogen compounds and the related materials is the base of process chemistry. The reaction of exchanging isotopes between water and hydrogen on solid catalyzers, the decomposition of ethane halide containing hydrogen, the behavior of water and hydroxides in silicates are reported. The isotope exchange between water and hydrogen is expected to be developed as the process of separating and concentrating hydrogen isotopes. (K.I.) 103 refs

Electrocatalysts for hydrogen energy

CERN Document Server

Losiewicz, Bozena

2015-01-01

This special topic volume deals with the development of novel solid state electrocatalysts of a high performance to enhance the rates of the hydrogen or oxygen evolution. It contains a description of various types of metals, alloys and composites which have been obtained using electrodeposition in aqueous solutions that has been identified to be a technologically feasible and economically superior technique for the production of the porous electrodes. The goal was to produce papers that would be useful to both the novice and the expert in hydrogen technologies. This volume is intended to be us

Municipal Solid Waste Gasification with Solid Oxide Fuel Cells and Stirling Engine

DEFF Research Database (Denmark)

Rokni, Masoud

2014-01-01

Municipal Solid Waste (MSW) can be considered a valid biomass to be used in a power plant. The major advantage is the reduction of pollutants and greenhouse gases emissions not only within large cities but also globally. Another advantage is that by th eir use it is possible to reduce the waste...... studied to optimize the plant efficiency in terms of operating conditions. Compared with modern waste incinerators with heat recovery, the gasification process integrated with SOFC and Stirling engine permits an increase in electricity output up of 50%, which means that the solid waste gasification......, waste is subject to chemical treatments through air or/and steam utilization; the result is a synthesis gas, called “Syngas” which is principally composed of hydrogen and carbon monoxide. Traces of hydrogen sulfide could also be present which can easily be separated in a desulfurization reactor...

Nuclear dynamics in the metastable phase of the solid acid caesium hydrogen sulfate.

Science.gov (United States)

Krzystyniak, Maciej; Drużbicki, Kacper; Fernandez-Alonso, Felix

2015-12-14

High-resolution spectroscopic measurements using thermal and epithermal neutrons and first-principles calculations within the framework of density-functional theory are used to investigate the nuclear dynamics of light and heavy species in the metastable phase of caesium hydrogen sulfate. Within the generalised-gradient approximation, extensive calculations show that both 'standard' and 'hard' formulations of the Perdew-Burke-Ernzerhof functional supplemented by Tkatchenko-Scheffler dispersion corrections provide an excellent description of the known structure, underlying vibrational density of states, and nuclear momentum distributions measured at 10 and 300 K. Encouraged by the agreement between experiment and computational predictions, we provide a quantitative appraisal of the quantum contributions to nuclear motions in this solid acid. From this analysis, we find that only the heavier caesium atoms reach the classical limit at room temperature. Contrary to naïve expectation, sulfur exhibits a more pronounced quantum character relative to classical predictions than the lighter oxygen atom. We interpret this hitherto unexplored nuclear quantum effect as arising from the tighter binding environment of this species in this technologically relevant material.

GAT 4 production and storage of hydrogen. Report July 2004

International Nuclear Information System (INIS)

2004-01-01

This paper concerns two aspects of the hydrogen: the production and the storage. For both parts the challenges and a state of the art are presented. It discusses also the hydrogen production by renewable energies, by solar energy, the hydrogen of hydrocarbons reforming purification, active phases development, thermal transfer simulation. Concerning the hydrogen storage the hydrogen adsorption by large surface solid, the storage by metallic hydrides, the alanates and light hydrides, the adsorption on carbon nano-tubes, the storage in nano-structures, the thermal and mechanical simulation of the hydrogen are presented. (A.L.B.)

Change in lattice parameter of tantalum due to dissolved hydrogen

Directory of Open Access Journals (Sweden)

Gyanendra P. Tiwari

2012-06-01

Full Text Available The volume expansion of tantalum due to the dissolved hydrogen has been determined using Bragg equation. The hydrogen was dissolved in the pure tantalum metal at constant temperature (360 °C and constant pressure (132 mbar by varying the duration of hydrogen charging. The amount of dissolved hydrogen was within the solid solubility limit. The samples with different hydrogen concentration were analyzed by X-ray diffraction technique. Slight peak shifts as well as peak broadening were observed. The relative changes of lattice parameters plotted against the hydrogen concentration revealed that the lattice parameters varied linearly with the hydrogen concentration.

Polymer based amperometric hydrogen sensor

International Nuclear Information System (INIS)

Ramesh, C.; Periaswami, G.; Mathews, C.K.; Shankar, P.

1993-01-01

A polymer based amperometric hydrogen sensor has been developed for measuring hydrogen in argon. Polyvinyl alcohol-phosphoric acid serves as the solid electrolyte for proton conduction. The electrolyte is sandwiched between two palladium films. Short circuit current between the film at room temperature is measured and is found to be linearly dependant on hydrogen concentration in argon to which one side of the film is exposed. The other side is exposed to air. The response time of the sensor is found to be improved on application of a D.C. potential of 200 mV in series. The sensitivity of the sensor is in ppm range. This may be sufficient for monitoring cover gas hydrogen in FBTR. Work is underway to improve the long-term stability of the sensor. (author)

The behavior of hydrogen in metals

International Nuclear Information System (INIS)

Hirabayashi, Makoto

1975-01-01

Explanation is made on the equilibrium diagrams of metal-hydrogen systems and the state of hydrogen in metals. Some metals perform exothermic reaction with hydrogen, and the others endothermic reaction. The former form stable hydrides and solid solutions over a wide range of composition. Hydrogen atoms in fcc and bcc metals are present at the interstitial positions of tetrahedron lattice and octahedron lattice. For example, hydrogen atoms in palladium are present at the intersititial positions of octahedron. When the ratio of the composition of hydrogen and palladium is 1:1, the structure becomes NaCl type. Hydrogen atoms in niobium and vanadium and present interstitially in tetrahedron lattice. Metal hydrides with high hydrogen concentration are becoming important recently as the containers of hydrogen. Hydrogen atoms diffuse in metals quite easily. The activation energy of the diffusion of hydrogen atoms in Nb and V is about 2-3 kcal/g.atom. The diffusion coefficient is about 10 -5 cm 2 /sec in alpha phase at room temperature. The number of jumps of a hydrogen atom between neighboring lattice sites is 10 11 --10 12 times per second. This datum is almost the same as that of liquid metals. Discussion is also made on the electronic state of hydrogen in metals. (Fukutomi, T.)

Solid-state characterization of the HIV protease inhibitor

CERN Document Server

Kim, Y A

2002-01-01

The LB71350, (3S, 4R)-Epoxy-(5S)-[[N-(1-methylethoxy) carbonyl]-3-(methylsulfonyl)-L-valinyl]amin= o]-N-[2-methyl-(1R)-[(phenyl)carbonyl]propyl-6-phenylhexanamide, is a novel HIV protease inhibitor. Its equilibrium solubility at room temperature was less than 40 mu g/mL. It was speculated that the low aqueous solubility might be due to the high crystalline lattice energy resulting from intermolecular hydrogen bonds. The present study was carried out to learn the solid-state characteristics of LB71350 using analytical methods such as NMR, FT-IR and XRD. sup 1 sup 3 C Solid-state NMR, solution NMR, and FT-IR spectra of the various solid forms of LB71350 were used to identify the conformation and structure of the solid forms. The chemical shifts of sup 1 sup 3 C solid-state NMR spectra suggest that the crystalline form might have 3 intermolecular hydrogen bondings between monomers.

Petrographic characterization of the solid products of coal- pitch coprocessing

Energy Technology Data Exchange (ETDEWEB)

Potter, J.; Kybett, B.D.; McDougall, W.J.; Nambudiri, E.M.V.; Rahimi, P.; Price, J.T.

1986-06-01

Petrographic studies were conducted on four solid residues resulting from the hydrogenation process of 1) Forestburg sub- bituminous coal alone, 2) the coal with a non-coking solvent (anthracene oil), 3) pitch (Cold Lake vacuum-bottom deposits), and 4) a mixture of coal and pitch. The purpose was to determine the amounts of coal and pitch-derived solids in the residues. All the residues were produced under identical severe conditions of liquefaction to promote the formation of solids. The coal processed with anthracene oil gives a residue consisting mainly of isotropic huminitic solids. If the coal is hydrogenated under similar conditions but without a solvent, the predominant residual solids are anisotropic semicokes displaying coarse mosaic textures, which form from vitroplast. The residual products from the hydrogenated Cold Lake vacuum- bottom deposits are also dominantly anisotropic semicokes; these display coarse mosaics and flow textures, and form by the growth and coalescence of mesophase spherules. Both coal- and pitch-derived solids are identified in a residue produced by coprocessing the Forestburg coal with the pitch from the Cold Lake vacuum-bottom deposits. It is concluded that the huminite macerals in the coal generate the fine-grained, mosaic-textured semicokes, whereas the pitch produces the coarse mosaics and flow-textured semicokes.

The methods of hydrogen storage

International Nuclear Information System (INIS)

Joubert, J.M.; Cuevas, F.; Latroche, M.; Percheron-Guegan, A.

2005-01-01

Hydrogen may be an excellent energy vector owing to its high specific energy. Its low density is however a serious drawback for its storage. Three techniques exist to store hydrogen. Storage under pressure is now performed in composite tanks under pressures around 700 bar. Liquid storage is achieved at cryogenic temperatures. Solid storage is possible in reversible metal hydrides or on high surface area materials. The three storage means are compared in terms of performance, energetic losses and risk. (authors)

Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures.

Science.gov (United States)

Li, Xin-Zheng; Walker, Brent; Probert, Matthew I J; Pickard, Chris J; Needs, Richard J; Michaelides, Angelos

2013-02-27

A combination of state-of-the-art theoretical methods has been used to obtain an atomic-level picture of classical and quantum ordering of protons in cold high-pressure solid hydrogen. We focus mostly on phases II and III of hydrogen, exploring the effects of quantum nuclear motion on certain features of these phases (through a number of ab initio path integral molecular dynamics (PIMD) simulations at particular points on the phase diagram). We also examine the importance of van der Waals forces in this system by performing calculations using the optB88-vdW density functional, which accounts for non-local correlations. Our calculations reveal that the transition between phases I and II is strongly quantum in nature, resulting from a competition between anisotropic inter-molecular interactions that restrict molecular rotation and thermal plus quantum fluctuations of the nuclear positions that facilitate it. The transition from phase II to III is more classical because quantum nuclear motion plays only a secondary role and the transition is determined primarily by the underlying potential energy surface. A structure of P2(1)/c symmetry with 24 atoms in the primitive unit cell is found to be stable when anharmonic quantum nuclear vibrational motion is included at finite temperatures using the PIMD method. This structure gives a good account of the infra-red and Raman vibron frequencies of phase II. We find additional support for a C2/c structure as a strong candidate for phase III, since it remains transparent up to 300 GPa, even when quantum nuclear effects are included. Finally, we find that accounting for van der Waals forces improves the agreement between experiment and theory for the parts of the phase diagram considered, when compared to previous work which employed the widely-used Perdew-Burke-Ernzerhof exchange-correlation functional.

Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures

International Nuclear Information System (INIS)

Li Xinzheng; Walker, Brent; Michaelides, Angelos; Probert, Matthew I J; Pickard, Chris J; Needs, Richard J

2013-01-01

A combination of state-of-the-art theoretical methods has been used to obtain an atomic-level picture of classical and quantum ordering of protons in cold high-pressure solid hydrogen. We focus mostly on phases II and III of hydrogen, exploring the effects of quantum nuclear motion on certain features of these phases (through a number of ab initio path integral molecular dynamics (PIMD) simulations at particular points on the phase diagram). We also examine the importance of van der Waals forces in this system by performing calculations using the optB88-vdW density functional, which accounts for non-local correlations. Our calculations reveal that the transition between phases I and II is strongly quantum in nature, resulting from a competition between anisotropic inter-molecular interactions that restrict molecular rotation and thermal plus quantum fluctuations of the nuclear positions that facilitate it. The transition from phase II to III is more classical because quantum nuclear motion plays only a secondary role and the transition is determined primarily by the underlying potential energy surface. A structure of P2 1 /c symmetry with 24 atoms in the primitive unit cell is found to be stable when anharmonic quantum nuclear vibrational motion is included at finite temperatures using the PIMD method. This structure gives a good account of the infra-red and Raman vibron frequencies of phase II. We find additional support for a C2/c structure as a strong candidate for phase III, since it remains transparent up to 300 GPa, even when quantum nuclear effects are included. Finally, we find that accounting for van der Waals forces improves the agreement between experiment and theory for the parts of the phase diagram considered, when compared to previous work which employed the widely-used Perdew–Burke–Ernzerhof exchange–correlation functional. (paper)

Prospects for hydrogen storage in graphene.

Science.gov (United States)

Tozzini, Valentina; Pellegrini, Vittorio

2013-01-07

Hydrogen-based fuel cells are promising solutions for the efficient and clean delivery of electricity. Since hydrogen is an energy carrier, a key step for the development of a reliable hydrogen-based technology requires solving the issue of storage and transport of hydrogen. Several proposals based on the design of advanced materials such as metal hydrides and carbon structures have been made to overcome the limitations of the conventional solution of compressing or liquefying hydrogen in tanks. Nevertheless none of these systems are currently offering the required performances in terms of hydrogen storage capacity and control of adsorption/desorption processes. Therefore the problem of hydrogen storage remains so far unsolved and it continues to represent a significant bottleneck to the advancement and proliferation of fuel cell and hydrogen technologies. Recently, however, several studies on graphene, the one-atom-thick membrane of carbon atoms packed in a honeycomb lattice, have highlighted the potentialities of this material for hydrogen storage and raise new hopes for the development of an efficient solid-state hydrogen storage device. Here we review on-going efforts and studies on functionalized and nanostructured graphene for hydrogen storage and suggest possible developments for efficient storage/release of hydrogen under ambient conditions.

Structural changes and intermolecular interactions of filled ice Ic structure for hydrogen hydrate under high pressure

International Nuclear Information System (INIS)

Machida, S; Hirai, H; Kawamura, T; Yamamoto, Y; Yagi, T

2010-01-01

High-pressure experiments of hydrogen hydrate were performed using a diamond anvil cell under conditions of 0.1-44.2 GPa and at room temperature. Also, high pressure Raman studies of solid hydrogen were performed in the pressure range of 0.1-43.7 GPa. X-ray diffractometry (XRD) for hydrogen hydrate revealed that a known high-pressure structure, filled ice Ic structure, of hydrogen hydrate transformed to a new high-pressure structure at approximately 35-40 GPa. A comparison of the Raman spectroscopy of a vibron for hydrogen molecules between hydrogen hydrate and solid hydrogen revealed that the extraction of hydrogen molecules from hydrogen hydrate occurred above 20 GPa. Also, the Raman spectra of a roton revealed that the rotation of hydrogen molecules in hydrogen hydrate was suppressed at around 20 GPa and that the rotation recovered under higher pressure. These results indicated that remarkable intermolecular interactions in hydrogen hydrate between neighboring hydrogen molecules and between guest hydrogen molecules and host water molecules might occur. These intermolecular interactions could produce the stability of hydrogen hydrate.

The hydrogen village: building hydrogen and fuel cell opportunities

International Nuclear Information System (INIS)

Smith, R.

2006-01-01

The presentation addressed the progress the Hydrogen Village Program has made in its first 24 months of existence and will provide an understanding of the development of new markets for emerging Hydrogen and Fuel Cell technologies based on first hand, real world experience. The Hydrogen Village (H2V) is an End User driven, Market Development Program designed to accelerate the sustainable commercialization of hydrogen and fuel cell technologies through awareness, education and early deployments throughout the greater Toronto area (GTA). The program is a collaborative public-private partnership of some 35 companies from a broad cross section of industry administered through Hydrogen and Fuel Cells Canada and funded by the Governments of Canada and Ontario. The intent of the H2V is to develop markets for Hydrogen and Fuel Cell technologies that benefit the local and global community. The following aspects of market development are specifically targeted: 1) Deployments: of near market technologies in all aspects of community life (stationary and mobile). All applications must be placed within the community and contact peoples in their day-to-day activity. End user involvement is critical to ensure that the applications chosen have a commercial justification and contribute to the complementary growth of the market. 2) Development: of a coordinated hydrogen delivery and equipment service infrastructure. The infrastructure will develop following the principles of conservation and sustainability. 3) Human and societal factors: - Public and Corporate policy, public education, Codes/ Standards/ Regulations - Opportunity for real world implementation and feedback on developing codes and standards - Build awareness among regulatory groups, public, and the media. The GTA Hydrogen Village is already well under way with strategically located projects covering a wide range of hydrogen and fuel cell applications including: Residential heat and power generation using solid oxide

Storage of hydrogen in metals

International Nuclear Information System (INIS)

Wiswall, R.

1981-01-01

A review is dedicated to a problem of hydrogen storage as fuel of future, that can be used under various conditions, is easily obtained with the help of other types of energy and can be transformed into them. Data on reversible metal-hydrogen systems, where hydrogen can be obtained by the way of reaction of thermal decomposition are presented. Pressure-temperature-content diagrams, information on concrete Pd-H, TiFe-H, V-N systems are presented and analyzed from the point of view of thermodynamics. A table with thermodynamical characteristics of several hydrides is presented. The majority of known solid hydrides in relation to their use for hydrogen storage are characterized. The review includes information on real or supposed uses in concrete systems: in fuel cells, for levelling of loading of electric plants, in automobile engines, in hydride engines, for heat storage [ru

Impact of furan derivatives and phenolic compounds on hydrogen production from organic fraction of municipal solid waste using co-culture of Enterobacter aerogenes and E. coli.

Science.gov (United States)

Sharma, Preeti; Melkania, Uma

2017-09-01

In the present study, the effect of furan derivatives (furfural and 5-hydroxymethylfurfural) and phenolic compounds (vanillin and syringaldehyde) on hydrogen production from organic fraction of municipal solid waste (OFMSW) was investigated using co-culture of facultative anaerobes Enterobacter aerogenes and E. coli. The inhibitors were applied in the concentration ranges of 0.25, 0.5, 1, 2 and 5g/L each. Inhibition coefficients of phenolic compounds were higher than those of furan derivatives and vanillin exhibited maximum inhibition coefficients correspondingly lowest hydrogen yield among all inhibitors. Furfural and 5-hydroxymethylfurfural addition resulted in an average decrease of 26.99% and 37.16% in hydrogen yield respectively, while vanillin and syringaldehyde resulted in 49.40% and 42.26% average decrease in hydrogen yield respectively. Further analysis revealed that Furfural and 5-hydroxymethylfurfural were completely degraded up to concentrations of 1g/L, while vanillin and syringaldehyde were degraded completely up to the concentration of 0.5g/L. Volatile fatty acid generation decreased with inhibitors addition. Copyright © 2017 Elsevier Ltd. All rights reserved.

DNA polymerase catalysis in the absence of Watson-Crick hydrogen bonds

Science.gov (United States)

Potapova, Olga; Chan, Chikio; DeLucia, Angela M.; Helquist, Sandra A.; Kool, Eric T.; Grindley, Nigel D. F.; Joyce, Catherine M.

2008-01-01

We report the first pre-steady-state kinetic studies of DNA replication in the absence of hydrogen bonds. We have used nonpolar nucleotide analogues that mimic the shape of a Watson-Crick base pair in order to investigate the kinetic consequences of a lack of hydrogen bonds in the polymerase reaction catalyzed by the Klenow fragment of DNA Polymerase I from Escherichia coli. With a thymine isostere lacking hydrogen bonding ability in the nascent pair, the efficiency (kpol/Kd) of the polymerase reaction is decreased by 30-fold, affecting ground state (Kd) and transition state (kpol) approximately equally. When both thymine and adenine analogues in the nascent pair lack hydrogen bonding ability, the efficiency of the polymerase reaction is decreased by about 1000-fold, with most the decrease attributable to the transition state. Reactions using nonpolar analogues at the primer terminal base pair demonstrated the requirement for a hydrogen bond between the polymerase and the minor groove of the primer-terminal base. The R668A mutation of Klenow fragment abolished this requirement, identifying R668 as the probable hydrogen bond donor. Detailed examination of the kinetic data suggested that Klenow fragment has an extremely low tolerance of even minor deviations of the analogue base pairs from ideal Watson-Crick geometry. Consistent with this idea, some analogue pairings were better tolerated by Klenow fragment mutants having more spacious active sites. By contrast, the Y-family polymerase Dbh was much less sensitive to changes in base pair dimensions, and more dependent on hydrogen bonding between base-paired partners. PMID:16411765

The hydrogen-metal systems: experimental data on the solubility and electromigration of hydrogen and deuterium in the V(A) metals

International Nuclear Information System (INIS)

Mareche, J.-F.; Rat, J.-C.; Herold, Albert

1976-01-01

Experimental results on hydrogen solubility and electromigration in niobium, vanadium and tantalum are given. Previous values of solubility are shown to be fairly good. There is no isotopic effect. Hydrogen is drawn by a direct current as a positive ionisation. A study of most of the possible parameters has been done. The possible effect of a solid solution of oxygen is discussed [fr

Novel solid oxide cells with SrCo0.8Fe0.1Ga0.1O3-δ oxygen electrode for flexible power generation and hydrogen production

Science.gov (United States)

Meng, Xiuxia; Shen, Yichi; Xie, Menghan; Yin, Yimei; Yang, Naitao; Ma, Zi-Feng; Diniz da Costa, João C.; Liu, Shaomin

2016-02-01

This work investigates the performance of solid oxide cells as fuel cells (SOFCs) for power production and also as electrolysis cells (SOECs) for hydrogen production. In order to deliver this dual mode flexible operation system, a novel perovskite oxide based on Ga3+ doped SrCo0.8Fe0.1Ga0.1O3-δ (SCFG) is synthesized via a sol-gel method. Its performance for oxygen electrode catalyst was then evaluated. Single solid oxide cell in the configuration of Ni-YSZ|YSZ|GDC|SCFG is assembled and tested in SOFC or SOEC modes from 550 to 850 °C with hydrogen as the fuel or as the product, respectively. GDC is used to avoid the reaction between the electrolyte YSZ and the cobalt-based electrode. Under SOFC mode, a maximum power density of 1044 mW cm-2 is obtained at 750 °C. Further, the cell delivers a stable power output of 650 mW cm-2 up to 125 h at 0.7 V. In the electrolysis mode, when the applied voltage is controlled at 2 V, the electrolysis current density reaches 3.33 A cm-2 at 850 °C with the hydrogen production rate up to 22.9 mL min-1 cm-2 (STP). These results reveal that SCFG is a very promising oxygen electrode material for application in both SOFC and SOEC.

Investigations of charge-changing processes for light proton-rich nuclei on carbon and solid-hydrogen targets

Energy Technology Data Exchange (ETDEWEB)

Sawahata, K. [Institute of Physics, University of Tsukuba, Ibaraki 305-8571 (Japan); Ozawa, A., E-mail: ozawa@tac.tsukuba.ac.jp [Institute of Physics, University of Tsukuba, Ibaraki 305-8571 (Japan); Saito, Y.; Abe, Y.; Ichikawa, Y.; Inaba, N.; Ishibashi, Y. [Institute of Physics, University of Tsukuba, Ibaraki 305-8571 (Japan); Kitagawa, A. [National Institute of Radiological Sciences, Chiba 263-8555 (Japan); Matsunaga, S. [Department of Physics, Saitama University, Saitama 338-8570 (Japan); Moriguchi, T.; Nagae, D.; Okada, S. [Institute of Physics, University of Tsukuba, Ibaraki 305-8571 (Japan); Sato, S. [National Institute of Radiological Sciences, Chiba 263-8555 (Japan); Suzuki, S. [Institute of Physics, University of Tsukuba, Ibaraki 305-8571 (Japan); Suzuki, T.; Takeuchi, Y.; Yamaguchi, T. [Department of Physics, Saitama University, Saitama 338-8570 (Japan); Zenihiro, J. [RIKEN Nishina Center, Wako, Saitama 351-0198 (Japan)

2017-05-15

We investigated charge-changing processes (total charge-changing cross sections and partial charge-changing cross sections) for light proton-rich nuclei ({sup 34–36}Ar, {sup 33}Cl, {sup 25–28}Si) at around 300A MeV on carbon and solid-hydrogen targets. We estimated the nuclear proton point radii of {sup 33}Cl and {sup 25,26,27}Si from the observed total charge-changing cross sections by using Glauber-model calculations with a phenomenological correction factor. Furthermore, we estimated the proton skin thickness for {sup 33}Cl coupled with its previously observed matter radius. From investigations of the partial charge-changing cross sections, clear zigzag pattern was observed for all isotopes. The present studies suggest that the pattern may be common in the proton-rich side, and depends on the odd–even nature of the fragment charge.

Hydrogen: a clean energy for tomorrow?

International Nuclear Information System (INIS)

Artero, V.; Guillet, N.; Fruchart, D.; Fontecave, M.

2011-01-01

Hydrogen has a strong energetic potential. In order to exploit this potential and transform this energy into electricity, two chemical reactions could be used which do not release any greenhouse effect gas: hydrogen can be produced by water electrolysis, and then hydrogen and oxygen can be combined to produce water and release heat and electricity. Hydrogen can therefore be used to store energy. In Norway, the exceeding electricity produced by wind turbines in thus stored in fuel cells, and the energy of which is used when the wind weakens. About ten dwellings are thus supplied with only renewable energy. Similar projects are being tested in Corsica and in the Reunion Island. The main challenges for this technology are its cost, its compactness and its durability. The article gives an overview of the various concepts, apparatus and systems involved in hydrogen and energy production. Some researches are inspired by bacteria which produce hydrogen with enzymes. The objective is to elaborate better catalysts. Another explored perspective is the storage of solid hydrogen

Hydrogen sulfide-powered solid oxide fuel cells

Science.gov (United States)

Liu, Man

2004-12-01

The potential utilization of hydrogen sulfide as fuel in solid oxide fuel cells has been investigated using an oxide-ion conducting YSZ electrolyte and different kinds of anode catalysts at operating temperatures in the range of 700--900°C and at atmospheric pressure. This technology offers an economically attractive alternative to present methods for removing toxic and corrosive H2S gas from sour gas streams and a promising approach for cogenerating electrical energy and useful chemicals. The primary objective of the present research was to find active and stable anode materials. Fuel cell experimental results showed that platinum was a good electrocatalyst for the conversion of H2S, but the Pt/YSZ interface was physically unstable due to the reversible formation and decomposition of PtS in H 2S streams at elevated temperatures. Moreover, instability of the Pt/YSZ interface was accelerated significantly by electrochemical reactions, and ultimately led to the detachment of the Pt anode from the electrolyte. It has been shown that an interlayer of TiO2 stabilized the Pt anode on YSZ electrolyte, thereby prolonging cell lifetime. However, the current output for a fuel cell using Pt/TiO2 as anode was not improved compared to using Pt alone. It was therefore necessary to investigate novel anode systems for H 2S-air SOFCs. New anode catalysts comprising composite metal sulfides were developed. These catalysts exhibited good electrical conductivity and better catalytic activity than Pt. In contrast to MoS2 alone, composite catalysts (M-Mo-S, M = Fe, Co, Ni) were not volatile and had superior stability. However, when used for extended periods of time, detachment of Pt current collecting film from anodes comprising metal sulfides alone resulted in a large increase in contact resistance and reduction in cell performance. Consequently, a systematic investigation was conducted to identify alternative electronic conductors for use with M-Mo-S catalysts. Anode catalysts

Porous polymeric materials for hydrogen storage

Science.gov (United States)

Yu, Luping; Liu, Di-Jia; Yuan, Shengwen; Yang, Junbing

2013-04-02

A porous polymer, poly-9,9'-spirobifluorene and its derivatives for storage of H.sub.2 are prepared through a chemical synthesis method. The porous polymers have high specific surface area and narrow pore size distribution. Hydrogen uptake measurements conducted for these polymers determined a higher hydrogen storage capacity at the ambient temperature over that of the benchmark materials. The method of preparing such polymers, includes oxidatively activating solids by CO.sub.2/steam oxidation and supercritical water treatment.

Synthesis and characterization of a Sr0.95Y0.05TiO3-δ-based hydrogen electrode for reversible solid oxide cells

KAUST Repository

Ling, Yihan

2015-01-01

Reversible solid oxide cells (RSOCs) can generate electricity as solid oxide fuel cells (SOFC) facing a shortage of electricity and can also store the electricity as solid oxide electrolysis cells (SOEC) at the time of excessive electricity. The composite Sr0.95Y0.05TiO3-δ-Sm0.2Ce0.8O1.9 (SYT-SDC) as the hydrogen electrode provides a promising alternative for a conventional Ni/YSZ. The possible charge compensation mechanism of SYT is described as Sr0.95Y0.05Ti0.95-2δ 4+Ti2δ+0.05 3+O3-δ. The Ti3+ is approximately 11.73% in the reduced SYT by XRD Rietveld refinement, electron paramagnetic resonance (EPR) and thermogravimetry (TG) analysis. Voltage-current curves and impedance spectra are measured as a function of applied voltages to characterize the cells. The bulk resistance (Ro) and the electrode polarization resistance (Rp) at open circuit voltages (OCV) at 750 °C are 9.06 Ω cm2 and 10.57 Ω cm2, respectively. The Ro values have a small amount of changes with small slopes both in the SOFC (-0.29 Ω cm2 V-1) and SOEC mode (0.5 Ω cm2 V-1), whereas the Rp values decrease all the time with the increasing voltages at both the SOFC (-2.59 Ω cm2 V-1) and SOEC mode (-9.65 Ω cm2 V-1), indicating that the electrical conductivity and electro-catalytic property of the SYT-based hydrogen electrode can be improved under the SOEC mode. This journal is

Development of simulation approach for two-dimensional chiral molecular self-assembly driven by hydrogen bond at the liquid/solid interface

Science.gov (United States)

Qin, Yuan; Yao, Man; Hao, Ce; Wan, Lijun; Wang, Yunhe; Chen, Ting; Wang, Dong; Wang, Xudong; Chen, Yonggang

2017-09-01

Two-dimensional (2D) chiral self-assembly system of 5-(benzyloxy)-isophthalic acid derivative/(S)-(+)-2-octanol/highly oriented pyrolytic graphite was studied. A combined density functional theory/molecular mechanics/molecular dynamics (DFT/MM/MD) approach for system of 2D chiral molecular self-assembly driven by hydrogen bond at the liquid/solid interface was thus proposed. Structural models of the chiral assembly were built on the basis of scanning tunneling microscopy (STM) images and simplified for DFT geometry optimization. Merck Molecular Force Field (MMFF) was singled out as the suitable force field by comparing the optimized configurations of MM and DFT. MM and MD simulations for hexagonal unit model which better represented the 2D assemble network were then preformed with MMFF. The adhesion energy, evolution of self-assembly process and characteristic parameters of hydrogen bond were obtained and analyzed. According to the above simulation, the stabilities of the clockwise and counterclockwise enantiomorphous networks were evaluated. The calculational results were supported by STM observations and the feasibility of the simulation method was confirmed by two other systems in the presence of chiral co-absorbers (R)-(-)-2-octanol and achiral co-absorbers 1-octanol. This theoretical simulation method assesses the stability trend of 2D enantiomorphous assemblies with atomic scale and can be applied to the similar hydrogen bond driven 2D chirality of molecular self-assembly system.

Solid-phase synthesis of polyfunctional polylysine dendrons using aldehyde linkers

DEFF Research Database (Denmark)

Svenssen, Daniel K.; Mirsharghi, Sahar; Boas, Ulrik

2014-01-01

A straightforward method for the solid-phase synthesis of C-terminally modified polylysine dendrons has been developed by applying bisalkoxybenzaldehyde and trisalkoxybenzaldehyde linkers. The method has been used for the synthesis of polylysine dendrons with a variety of C-terminal ‘tail groups’...

Formulation, characterization and pharmacokinetics of praziquantel-loaded hydrogenated castor oil solid lipid nanoparticles.

Science.gov (United States)

Xie, Shuyu; Pan, Baoliang; Wang, Ming; Zhu, Luyan; Wang, Fenghua; Dong, Zhao; Wang, Xiaofang; Zhou, WenZhong

2010-07-01

The purpose of this study was to formulate praziquantel (PZQ)-loaded hydrogenated castor oil (HCO) solid lipid nanoparticles (SLN) to enhance the bioavailability and prolong the systemic circulation of the drug. PZQ was encapsulated into HCO nanoparticles by a hot homogenization and ultrasonication method. The physicochemical characteristics of SLN were investigated by optical microscope, scanning electron microscopy and photon correlation spectroscopy. Pharmacokinetics were studied after oral, subcutaneous and intramuscular administration in mice. The diameter, polydispersivity index, zeta potential, encapsulation efficiency and loading capacity of the nanoparticles were 344.0 +/- 15.1 nm, 0.31 +/- 0.08, -16.7 +/- 0.5 mV, 62.17 +/- 6.53% and 12.43 +/- 1.31%, respectively. In vitro release of PZQ-loaded HCO-SLN exhibited an initial burst release followed by a sustained release. SLN increased the bioavailability of PZQ by 14.9-, 16.1- and 2.6-fold, and extended the mean residence time of the drug from 7.6, 6.6 and 8.2 to 95.9, 151.6 and 48.2 h after oral, subcutaneous and intramuscular administration, respectively. The PZQ-loaded HCO-SLN could be a promising formulation to enhance the pharmacological activity of PZQ.

Regio- and stereoselective hydrosilylation of immobilized terminal alkynes

DEFF Research Database (Denmark)

Pedersen, Palle Jacob; Henriksen, Jonas; Gotfredsen, Charlotte Held

2008-01-01

Regio- and stereoselective hydrosilylation of terminal alkynes on solid support using diisopropyl hydrosilanes yielding b-(E)-vinyl silanes with excellent selectivity is reported. The hydrosilylation is catalyzed by Pt(DVDS)/P(iBuNCH2CH2)3N (DVDS = 1,3-divinyl-1,1,3,3-tetramethyl-disiloxane), in ...

Development of an instrument for measuring moisture deep into solid materials

International Nuclear Information System (INIS)

Westin, R.; Walletun, H.

1993-01-01

It is of value in some applications to be able to detect humidity rather deep into a solid material, for example when determining the moisture content in the frame of buildings, in insulation or in biofuels. Common to these measurement problems is that it is difficult to measure moisture in the bulk of a solid, in contrast to the surface layers. In this report is described the principle and the functioning of an instrument to measure moisture at larger depths than other instruments that are available today. It is intended for use primarily on solid materials, not on gases or liquids. Field experience is also reported here. The principle of the measuring technique is nuclear: we have utilized the ability of hydrogen atoms to moderate (or brake) high energy neutrons. If there is hydrogen in the sample, fast neutrons will interact with the hydrogen atoms and one may detect and count low energy, so called thermal neutrons. The intensity of the slow neutron flux is proportional to the water content, if one assumes that hydrogen atoms are water, i.e. moisture

Infrared Spectra of the n-PROPYL and i-PROPYL Radicals in Solid Para-Hydrogen

Science.gov (United States)

Pullen, Gregory T.; Franke, Peter R.; Douberly, Gary E.; Lee, Yuan-Pern

2017-06-01

We report the infrared spectra of the n-propyl and i-propyl radicals measured in solid para-hydrogen (p-H_2) matrices at 3.2 K. n-Propyl and i-propyl radicals were produced via the 248 nm irradiation of matrices formed by co-depositing p-H_2 and either 1-Iodopropane (n-propyl) or 2-Iodopropane (i-propyl). Secondary photolysis was used to group spectral lines all due to the same species. Lines in the C-H stretching region were compared to previous work using the Helium Nanodroplet Isolation (HENDI) technique, and are in excellent agreement. In addition to a few lines previously measured in Ar matrices, we observe many previously unreported bands below 2000 \\wn, which we attribute to the n-propyl and i-propyl radicals. The assignment of features below 2000 \\wn are made via comparisons to anharmonic VPT2+K frequency computations. Peter R. Franke, Daniel P. Tabor, Christopher P. Moradi, Gary E. Douberly, Jay Agarwal, Henry F. Schaefer III, and Edwin L. Sibert III, Journal of Chemical Physics 145, 224304 (2016).

Hydrogen production using plasma processing

International Nuclear Information System (INIS)

Wagner, D.; Whidden, T.K.

2006-01-01

Plasma processing is a promising method of extracting hydrogen from natural gas while avoiding the greenhouse gas (GHG) production typical of other methods such as steam methane reforming. This presentation describes a plasma discharge process based that, in a single reactor pass, can yield hydrogen concentrations of up to 50 % by volume in the product gas mixture. The process is free of GHG's, does not require catalysts and is easily scalable. Chemical and morphological analyses of the gaseous and solid products of the process by gas-chromatography/mass-spectrometry, microscopic Raman analyses and electron microscopy respectively are reviewed. The direct production of hydrogen-enriched natural gas (HENG) as a fuel for low pollution internal combustion engines and its purification to high-purity hydrogen (99.99%) from the product gas by pressure swing adsorption (PSA) purifier beds are reviewed. The presentation reviews potential commercial applications for the technology

Radiation sensitive solid state devices

International Nuclear Information System (INIS)

Shannon, J.M.; Ralph, J.E.

1975-01-01

A solid state radiation sensitive device is described employing JFETs as the sensitive elements. Two terminal construction is achieved by using a common conductor to capacitively couple to the JFET gate and to one of the source and drain connections. (auth)

Photocatalytic degradation of H2S aqueous media using sulfide nanostructured solid-solution solar-energy-materials to produce hydrogen fuel.

Science.gov (United States)

Lashgari, Mohsen; Ghanimati, Majid

2018-03-05

H 2 S is a corrosive, flammable and noxious gas, which can be neutralized by dissolving in alkaline media and employed as H 2 -source by utilizing inside semiconductor-assisted/photochemical reactors. Herein, through a facile hydrothermal route, a ternary nanostructured solid-solution of iron, zinc and sulfur was synthesized in the absence and presence of Ag-dopant, and applied as efficient photocatalyst of hydrogen fuel production from H 2 S media. The effect of pH on the photocatalyst performance was scrutinized and the maximum activity was attained at pH=11, where HS - concentration is high. BET, diffuse reflectance and photoluminescence studies indicated that the ternary solid-solution photocatalyst, in comparison to its solid-solvent (ZnS), has a greater surface area, stronger photon absorption and less charge recombination, which justify its superiority. Moreover, the effect of silver-dopant on the photocatalyst performance was examined. The investigations revealed that although silver could boost the absorption of photons and increase the surface area, it could not appreciably enhance the photocatalyst performance due to its weak influence on retarding the charge-recombination process. Finally, the phenomenon was discussed in detail from mechanistic viewpoint. Copyright © 2017 Elsevier B.V. All rights reserved.

The small-scale production of hydrogen, with the co-production of electricity and district heat, by means of the gasification of municipal solid waste

International Nuclear Information System (INIS)

Hognert, Johannes; Nilsson, Lars

2016-01-01

Highlights: • Outline of a process for handling municipal solid waste potentially leading to reduced use of fossil transportation fuels. • The integration of waste gasification into a district heat plant leads to excellent energy efficiency. • Analysis based on actual production data from a district heat plant over the period of one year. • Simulation of a plant with productions of heat, power and gaseous hydrogen. - Abstract: Reducing the use of fossil fuels and increasing the recycling of waste are two important challenges for a sustainable society. Fossil fuels contribute to global warming whilst waste causes the pollution of land, water and air. Alternative fuels and innovative waste management systems are needed to address these issues. In this study a gasification process, fuelled with municipal solid waste, was assumed to be integrated into a heat plant to produce hydrogen, electricity and district heat. A whole system, which includes a gasification reactor, heat plant, steam cycle, pressure swing adsorption, gas turbine and compressors was modelled in Microsoft Excel and an energy balance of the system was solved. Data from the scientific literature were used when setting up the heat and mass balances of the gasification process as well as for assessment of the composition of the syngas. The allocation of energy of the products obtained in the process is 29% hydrogen, 26% electricity and 45% district heat. A significant result of the study is the high energy efficiency (88%) during the cold period of the year when the produced heat in the system is utilized for district heat. The system also shows a competitive energy efficiency (56.5%) all year round.

Journal Of The Korean Hydrogen Energy Society 2

International Nuclear Information System (INIS)

2001-11-01

This book deals with studies such as new ball-milled metal hydride electrode for rechargeable batteries by Noh, Haki; Park, Chung Nyeon, hydrogen absorption by laves phase related BCC solid solution alloys by Etsuo Akiba. The hydrogen absorption kinetics in very thin pd film by Cho, Young Sin; Lee, Jong Suk; Kim, Chang Won. The effect of the ceramic precipitates on the hydrogen solubility in pd alloys by Koh, Je Mann; Lee, Kil Hong; Bada, Seung Nam; Noh, Hak, and AC impedance study of the electrochemical behavior of hydrogen, Oxygen gas mixture at nafion, catalyst electrode interface by Song, S. M and Lee, W. M.

Hydrogen Bonding: Between Strengthening the Crystal Packing and Improving Solubility of Three Haloperidol Derivatives.

Science.gov (United States)

Saluja, Hardeep; Mehanna, Ahmed; Panicucci, Riccardo; Atef, Eman

2016-06-01

The purpose of this study is to confirm the impact of polar functional groups on inter and intra-molecular hydrogen bonding in haloperidol (HP) and droperidol (DP) and, hence, their effects on dissolution using a new approach. To confirm our theory, a new molecule: deshydroxy-haloperidol (DHP) was designed and its synthesis was requested from a contract laboratory. The molecule was then studied and compared to DP and HP. Unlike DHP, both the HP and DP molecules have hydrogen donor groups, therefore, DHP was used to confirm the relative effects of the hydrogen donor group on solubility and crystal packing. The solid dispersions of the three structurally related molecules: HP, DP, and DHP were prepared using PVPK30, and characterized using XRPD and IR. A comparative dissolution study was carried out in aqueous medium. The absence of a hydrogen bonding donor group in DHP resulted in an unexpected increase in its aqueous solubility and dissolution rate from solid dispersion, which is attributed to weaker crystal pack. The increased dissolution rate of HP and DP from solid dispersions is attributed to drug-polymer hydrogen bonding that interferes with the drug-drug intermolecular hydrogen bonding and provides thermodynamic stability of the dispersed drug molecules. The drug-drug intermolecular hydrogen bond is the driving force for precipitation and crystal packing.

Hydrogen Bonding: Between Strengthening the Crystal Packing and Improving Solubility of Three Haloperidol Derivatives

Directory of Open Access Journals (Sweden)

Hardeep Saluja

2016-06-01

Full Text Available The purpose of this study is to confirm the impact of polar functional groups on inter and intra-molecular hydrogen bonding in haloperidol (HP and droperidol (DP and, hence, their effects on dissolution using a new approach. To confirm our theory, a new molecule: deshydroxy-haloperidol (DHP was designed and its synthesis was requested from a contract laboratory. The molecule was then studied and compared to DP and HP. Unlike DHP, both the HP and DP molecules have hydrogen donor groups, therefore, DHP was used to confirm the relative effects of the hydrogen donor group on solubility and crystal packing. The solid dispersions of the three structurally related molecules: HP, DP, and DHP were prepared using PVPK30, and characterized using XRPD and IR. A comparative dissolution study was carried out in aqueous medium. The absence of a hydrogen bonding donor group in DHP resulted in an unexpected increase in its aqueous solubility and dissolution rate from solid dispersion, which is attributed to weaker crystal pack. The increased dissolution rate of HP and DP from solid dispersions is attributed to drug-polymer hydrogen bonding that interferes with the drug-drug intermolecular hydrogen bonding and provides thermodynamic stability of the dispersed drug molecules. The drug-drug intermolecular hydrogen bond is the driving force for precipitation and crystal packing.

Agglomeration Versus Localization Of Hydrogen In BCC Fe Vacancies

International Nuclear Information System (INIS)

Simonetti, S.; Juan, A.; Brizuela, G.; Simonetti, S.

2006-01-01

Severe embrittlement can be produced in many metals by small amounts of hydrogen. The interactions of hydrogen with lattice imperfections are important and often dominant in determining the influence of this impurity on the properties of solids. The interaction between four-hydrogen atoms and a BCC Fe structure having a vacancy has been studied using a cluster model and a semiempirical method. For a study of sequential absorption, the hydrogen atoms were positioned in their energy minima configurations, near to the tetrahedral sites neighbouring the vacancy. VH 2 and VH 3 complexes are energetically the most stables in BCC Fe. The studies about the stability of the hydrogen agglomeration gave as a result that the accumulation is unfavourable in complex vacancy-hydrogen with more than three atoms of hydrogen. (authors)

Fatigue crack growth behavior in niobium-hydrogen alloys

International Nuclear Information System (INIS)

Lin, M.C.C.; Salama, K.

1997-01-01

Near-threshold fatigue crack growth behavior has been investigated in niobium-hydrogen alloys. Compact tension specimens (CTS) with three hydrogen conditions are used: hydrogen-free, hydrogen in solid solution, and hydride alloy. The specimens are fatigued at a temperature of 296 K and load ratios of 0.05, 0.4, and 0.75. The results at load ratios of 0.05 and 0.4 show that the threshold stress intensity range (ΔK th ) decreases as hydrogen is added to niobium. It reaches a minimum at the critical hydrogen concentration (C cr ), where maximum embrittlement occurs. The critical hydrogen concentration is approximately equal to the solubility limit of hydrogen in niobium. As the hydrogen concentration exceeds C cr , ΔK th increases slowly as more hydrogen is added to the specimen. At load ratio 0.75, ΔK th decreases continuously as the hydrogen concentration is increased. The results provide evidence that two mechanisms are responsible for fatigue crack growth behavior in niobium-hydrogen alloys. First, embrittlement is retarded by hydride transformation--induced and plasticity-induced crack closures. Second, embrittlement is enhanced by the presence of hydrogen and hydride

Hydrogen storage by functionalised Poly(ether ether ketone)

Energy Technology Data Exchange (ETDEWEB)

Pedicini, R.; Giacoppo, G.; Carbone, A.; Passalacqua, E. [CNR-ITAE, Messina (Italy). Inst. for Advanced Energy Technologies

2010-07-01

In this work a functionalised polymer was studied as potential material for hydrogen storage in solid state. A Poly(ether ether ketone) (PEEK) matrix was modified by a manganese oxide in situ formation. Here we report the functionalisation process and the preliminary results on hydrogen storage capability of the synthesised polymer. The polymer was characterized by Scanning Electron Microscopy, X-ray diffraction, Transmission Electron Microscopy and Gravimetric Hydrogen Adsorption measurements. In the functionalised PEEK, morphological changes occur as a function of oxide precursor concentration and reaction time. Promising results by gravimetric measurements were obtained with a hydrogen sorption of 0.24%wt/wt at 50 C and 60 bar, moreover, reversibility hydrogen adsorption and desorption in a wide range of both temperature and pressure was confirmed. (orig.)

Metal oxide/hydrogen battery; Kinzoku sankabutsu/suiso denchi

Energy Technology Data Exchange (ETDEWEB)

Kanda, M.; Niki, H. [Toshiba Research and Development Centre, Komukai, Kawasaki (Japan)

1995-07-04

The metal oxide-hydrogen battery consisting mainly of hydrogen storage alloy has high energy density and high volume efficiency. However, it is disadvantageous that the self-discharge takes place since the discharge capacity is lowered due to the delivery of stored hydrogen from the hydrogen electrode. This invention relates to the metal oxide-hydrogen battery consisting of hydrogen storage alloy. Hydrogen storage alloy which is composed of LaNi5 system homogeneous solid solution having an equilibrium plateau pressure of less than 1 atm at 20{degree}C is used. As a result, the battery voltage change and the self-discharge can be reduced, and the cell performance can be improved. Examples of LaNi5 system hydrogen storage alloy are ANi(5-x)Mx (A = La, Mm, and Ca, M = Al, Mn, Si, Ge, Fe, B, Ga, Cu, In, and Co). LaNi(4.7)Al(0.3) and MmNi(4.2)Mn(0.8) are preferable. 3 figs.

Investigation of nanocrystalline Gd films loaded with hydrogen

KAUST Repository

Hruška, Petr; Čí žek, Jakub; Dobroň, Patrik; Anwand, Wolfgang; Mü cklich, Arndt; Gemma, Ryota; Wagner, Stefan; Uchida, Helmut; Pundt, Astrid

2015-01-01

The present work reports on microstructure studies of hydrogen-loaded nanocrystalline Gd films prepared by cold cathode beam sputtering on sapphire (112¯0) substrates. The Gd films were electrochemically step-by-step charged with hydrogen and the structural development with increasing concentration of absorbed hydrogen was studied by transmission electron microscopy and in-situ   X-ray diffraction using synchrotron radiation. The relaxation of hydrogen-induced stresses was examined by acoustic emission measurements. In the low concentration range absorbed hydrogen occupies preferentially vacancy-like defects at GBs typical for nanocrystalline films. With increasing hydrogen concentration hydrogen starts to occupy interstitial sites. At the solid solution limit the grains gradually transform into the ββ-phase (GdH2). Finally at high hydrogen concentrations xH>2.0xH>2.0 H/Gd, the film structure becomes almost completely amorphous. Contrary to bulk Gd specimens, the formation of the γγ-phase (GdH3) was not observed in this work.

Hydrogen-powered lawn mower: 14 years of operation

International Nuclear Information System (INIS)

Yvon, K.; Lorenzoni, J.-L.

2006-01-01

Our hydrogen-powered lawn mower [Yvon K, Lorenzoni J-L. Hydrogen powered lawn mower. Int J Hydrogen Energy 1993; 18, 345-48] has been operated without major interruption during the past 14 years. The commercial model was originally running on gasoline and was adapted to hydrogen by making small adjustments to the carburettor and by installing a hydrogen reservoir containing solid-state metal hydrides. During the evaluation period the only maintenance work was changing the lubricating oil of the engine once a year, and reactivating the metal hydride powder by external heating after an accidental inlet of air into the reservoir. There occurred no technical failure, and there was no safety incident, neither during operation nor during recharging of hydrogen. This demonstrates that a hydrogen-operated device of this type is mature for use by greater public. Cost and marketing issues are discussed. (author)

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

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-10-01

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

Early forest fire detection using low-energy hydrogen sensors

Directory of Open Access Journals (Sweden)

K. Nörthemann

2013-11-01

Full Text Available Most huge forest fires start in partial combustion. In the beginning of a smouldering fire, emission of hydrogen in low concentration occurs. Therefore, hydrogen can be used to detect forest fires before open flames are visible and high temperatures are generated. We have developed a hydrogen sensor comprising of a metal/solid electrolyte/insulator/semiconductor (MEIS structure which allows an economical production. Due to the low energy consumption, an autarkic working unit in the forest was established. In this contribution, first experiments are shown demonstrating the possibility to detect forest fires at a very early stage using the hydrogen sensor.

Biogasification of solid wastes by two-phase anaerobic fermentation

International Nuclear Information System (INIS)

Ghosh, S.; Vieitez, E.R.; Liu, T.; Kato, Y.

1997-01-01

Municipal, industrial and agricultural solid wastes, and biomass deposits, cause large-scale pollution of land and water. Gaseous products of waste decomposition pollute the air and contribute to global warming. This paper describes the development of a two-phase fermentation system that alleviates methanogenic inhibition encountered with high-solids feed, accelerates methane fermentation of the solid bed, and captures methane (renewable energy) for captive use to reduce global warming. The innovative system consisted of a solid bed reactor packed with simulated solid waste at a density of 160 kg/m 3 and operated with recirculation of the percolated culture (bioleachate) through the bed. A rapid onset of solids hydrolysis, acidification, denitrification and hydrogen gas formation was observed under these operating conditions. However, these fermentative reactions stopped at a total fatty acids concentration of 13,000 mg/l (as acetic) at pH 5, with a reactor head-gas composition of 75 percent carbon dioxide, 20 percent nitrogen, 2 percent hydrogen and 3 percent methane. Fermentation inhibition was alleviated by moving the bioleachate to a separate methane-phase fermenter, and recycling methanogenic effluents at pH 7 to the solid bed. Coupled operation of the two reactors promoted methanogenic conversion of the high-solids feed. (author)

Japan sunshine project 1987 annual summary of Hydrogen energy R and D

Science.gov (United States)

1988-04-01

This paper presents the findings of the researches on hydrogen energy in sunshine project in FY87. A duration test of the electrolyte membrane of solid polymer fabricated by bonding Pt and Ir catalyst layers was made for seven months to produce hydrogen by the electrolysis of water. The result indicates that the electrolysis will be able to be made at high current density. The sensitivity to stress corrosion cracking of stainless steel for electrolysis of water was evaluated. Since a thin film of stabilized zirconia fabricated by sintering at a temperature of 1500 C or higher is dense and conductive, it is a promising solid electrolyte. Since an inert phase to hydrogen is developed in a high-density metallic alloy for hydrogen storage produced by sintering and partially melting Mg7Zn3-Ni, it must be improved. A heating module of hydrogenated material monolithically coated on copper tube was investigated. The application of metallic alloy for hydrogen storage to the hydrogen electrode is studied. A hydrogen-fueled prime mover system circulating an inert gas is being developed. Since the low alloy steel part is extremely embrittled by heating, the intergranular face of coarse crystal affected by the cycle of welding heat is a problem.

Surface properties of hydrogenated nanodiamonds: a chemical investigation.

Science.gov (United States)

Girard, H A; Petit, T; Perruchas, S; Gacoin, T; Gesset, C; Arnault, J C; Bergonzo, P

2011-06-28

Hydrogen terminations (C-H) confer to diamond layers specific surface properties such as a negative electron affinity and a superficial conductive layer, opening the way to specific functionalization routes. For example, efficient covalent bonding of diazonium salts or of alkene moieties can be performed on hydrogenated diamond thin films, owing to electronic exchanges at the interface. Here, we report on the chemical reactivity of fully hydrogenated High Pressure High Temperature (HPHT) nanodiamonds (H-NDs) towards such grafting, with respect to the reactivity of as-received NDs. Chemical characterizations such as FTIR, XPS analysis and Zeta potential measurements reveal a clear selectivity of such couplings on H-NDs, suggesting that C-H related surface properties remain dominant even on particles at the nanoscale. These results on hydrogenated NDs open up the route to a broad range of new functionalizations for innovative NDs applications development. This journal is © the Owner Societies 2011

Proceedings of the 14. world hydrogen energy conference 2002 : The hydrogen planet. CD-ROM ed.

Energy Technology Data Exchange (ETDEWEB)

Venter, R.D.; Bose, T.K. [Quebec Univ., Trois-Rivieres, PQ (Canada). Institut de recherche sur l' hydrogene; Veziroglu, N. [International Association for Hydrogen Energy, Coral Gables, FL (United States)] (eds.)

2002-07-01

Hydrogen has often been named as the ultimate fuel because it can be generated from a variety of renewable and non-renewable fuels and its direct conversion to electricity in fuel cells is efficient and results in no emissions other than water vapour. The opportunities and issues associated with the use of hydrogen as the energy carrier of the future were presented at this conference which addressed all aspects of hydrogen and fuel cell development including hydrogen production, storage, hydrogen-fuelled internal combustion engines, hydrogen infrastructure, economics, and the environment. Hydrogen is currently used as a chemical feedstock and a space fuel, but it is receiving considerable attention for bring renewable energy into the transportation and power generation sectors with little or no environmental impact at the point of end use. Canada leads the way in innovative ideas for a hydrogen infrastructure, one of the most challenging tasks for the transportation sector along with hydrogen storage. Major vehicle manufacturers have announced that they will have hydrogen-fueled cars and buses on the market beginning in 2003 and 2004. Solid oxide fuel cells will be used for generating electricity with efficiencies of 70 per cent, and proton exchange membrane (PEM) and other fuel cells are being tested for residential power supply with efficiencies of 85 per cent. The conference included an industrial exposition which demonstrated the latest developments in hydrogen and fuel cell research. More than 300 papers were presented at various oral and poster sessions, of which 172 papers have been indexed separately for inclusion in the database.

Hydrogen electrolysis using a NASICON solid protonic conductor

Energy Technology Data Exchange (ETDEWEB)

Gulens, J.; Longhurst, T.H.; Kuriakose, A.K.; Canaday, J.D.

1988-09-01

A protonic conductor based on a bonded NASICON disc has been used for hydrogen electrolysis at 300 K. Currents up to 200 mA can be passed through the disc, and the electrolysis proceeds with 100% current efficiency. The resistance of the ceramic is affected by its extent of hydration. Degradation and failure of the ceramic occurs at the cathode as a result of electrolysis.

Use of nuclear reactions and ion channeling techniques for depth profiling hydrogen isotopes in solids

International Nuclear Information System (INIS)

Appleton, B.R.

1979-01-01

Hydrogen has always played a preeminent role in materials science because it so readily alters the physical and chemical properties of materials. However, it is often difficult to determine its role because it is one of the most elusive constituents to detect. More recently hydrogen detection has become necessary in numerous energy-related fields. In fusion energy one must understand plasma particle (hydrogen isotope) recycling, trapping and reemission, as well as the effects of hydrogen on the materials properties of first wall structures in plasma devices (i.e., hydrogen embrittlement, sputtering, blistering, etc.). In geology the presence of hydrogen in various forms alters the mechanical properties of many minerals in the earth's crust and enters directly into studies of tectonic processes. Evaluation of hydrogen in moon rocks increases our understanding of solar wind activity. In solar energy, hydrogen plays an important role in amorphous silicon used in fabricating solar cells. Detection of hydrogen is clearly important in the fossil fuel area. Many of the conventional elemental analysis techniques are not directly applicable to hydrogen determination and others can only detect hydrogen when it is in combination with other elements (i.e., H 2 O, OH, etc.). In this paper we discuss the use of ion beam techniques for obtaining quantitative depth information on hydrogen in materials and discuss the application of these techniques to several problems important in some of the areas mentioned

Solid triphenylmethanol: A molecular material that undergoes multiple internal reorientational processes on different timescales

International Nuclear Information System (INIS)

Kitchin, Simon J.; Xu Mingcan; Serrano-Gonzalez, Heliodoro; Coates, Laura J.; Zaka Ahmed, S.; Glidewell, Christopher; Harris, Kenneth D.M.

2006-01-01

In solid triphenylmethanol, the molecules are arranged in hydrogen-bonded tetramers, and it is already well established that the hydrogen bonding in this material undergoes a dynamic switching process between different hydrogen bonding arrangements. In addition to this motion, we show here, from solid-state 2 H NMR studies of the deuterated material (C 6 D 5 ) 3 COH, that each phenyl ring in this material undergoes a 180 deg.-jump reorientation about the C 6 D 5 -C(OH) bond, with an activation energy of ca. 50 kJ mol -1 . The timescale for the phenyl ring dynamics is several orders of magnitude longer than the timescale for the hydrogen bond dynamics in this material, and is uncorrelated with the dynamics of the hydrogen bonding arrangement

Atomistic computer simulations on multi-loaded PAMAM dendrimers: a comparison of amine- and hydroxyl-terminated dendrimers

Science.gov (United States)

Badalkhani-Khamseh, Farideh; Ebrahim-Habibi, Azadeh; Hadipour, Nasser L.

2017-12-01

Poly(amidoamine) (PAMAM) dendrimers have been extensively studied as delivery vectors in biomedical applications. A limited number of molecular dynamics (MD) simulation studies have investigated the effect of surface chemistry on therapeutic molecules loading, with the aim of providing insights for biocompatibility improvement and increase in drug loading capacity of PAMAM dendrimers. In this work, fully atomistic MD simulations were employed to study the association of 5-Fluorouracil (5-FU) with amine (NH2)- and hydroxyl (OH)-terminated PAMAM dendrimers of generations 3 and 4 (G3 and G4). MD results show a 1:12, 1:1, 1:27, and 1:4 stoichiometry, respectively, for G3NH2-FU, G3OH-FU, G4NH2-FU, and G4OH-FU complexes, which is in good agreement with the isothermal titration calorimetry results. The results obtained showed that NH2-terminated dendrimers assume segmented open structures with large cavities and more drug molecules can encapsulate inside the dendritic cavities of amine terminated dendrimers. However, OH-terminated have a densely packed structure and therefore, 5-FU drug molecules are more stable to locate close to the surface of the dendrimers. Intermolecular hydrogen bonding analysis showed that 5-FU drug molecules have more tendency to form hydrogen bonds with terminal monomers of OH-terminated dendrimers, while in NH2-terminated these occur both in the inner region and the surface. Furthermore, MM-PBSA analysis revealed that van der Waals and electrostatic energies are both important to stabilize the complexes. We found that drug molecules are distributed uniformly inside the amine and hydroxyl terminated dendrimers and therefore, both dendrimers are promising candidates as drug delivery systems for 5-FU drug molecules.

Abrupt climate changes during Termination III in Southern Europe.

Science.gov (United States)

Pérez-Mejías, Carlos; Moreno, Ana; Sancho, Carlos; Bartolomé, Miguel; Stoll, Heather; Cacho, Isabel; Cheng, Hai; Edwards, R Lawrence

2017-09-19

The Late Quaternary glacial-interglacial transitions represent the highest amplitude climate changes over the last million years. Unraveling the sequence of events and feedbacks at Termination III (T-III), including potential abrupt climate reversals similar to those of the last Termination, has been particularly challenging due to the scarcity of well-dated records worldwide. Here, we present speleothem data from southern Europe covering the interval from 262.7 to 217.9 kyBP, including the transition from marine isotope stage (MIS) 8 to MIS 7e. High-resolution δ 13 C, δ 18 O, and Mg/Ca profiles reveal major millennial-scale changes in aridity manifested in changing water availability and vegetation productivity. uranium-thorium dates provide a solid chronology for two millennial-scale events (S8.1 and S8.2) which, compared with the last two terminations, has some common features with Heinrich 1 and Heinrich 2 in Termination I (T-I).

Liquid Metallic Hydrogen: A Building Block for the Liquid Sun

Directory of Open Access Journals (Sweden)

Robitaille P.-M.

2011-07-01

Full Text Available Liquid metallic hydrogen provides a compelling material for constructing a condensed matter model of the Sun and the photosphere. Like diamond, metallic hydrogen might have the potential to be a metastable substance requiring high pressures for forma- tion. Once created, it would remain stable even at lower pressures. The metallic form of hydrogen was initially conceived in 1935 by Eugene Wigner and Hillard B. Huntington who indirectly anticipated its elevated critical temperature for liquefaction (Wigner E. and Huntington H.B. On the possibility of a metallic modification of hydro- gen. J. Chem. Phys. , 1935, v.3, 764–770. At that time, solid metallic hydrogen was hypothesized to exist as a body centered cubic, although a more energetically accessible layered graphite-like lattice was also envisioned. Relative to solar emission, this struc- tural resemblance between graphite and layered metallic hydrogen should not be easily dismissed. In the laboratory, metallic hydrogen remains an elusive material. However, given the extensive observational evidence for a condensed Sun composed primarily of hydrogen, it is appropriate to consider metallic hydrogen as a solar building block. It is anticipated that solar liquid metallic hydrogen should possess at least some layered order. Since layered liquid metallic hydrogen would be essentially incompressible, its invocation as a solar constituent brings into question much of current stellar physics. The central proof of a liquid state remains the thermal spectrum of the Sun itself. Its proper understanding brings together all the great forces which shaped modern physics. Although other proofs exist for a liquid photosphere, our focus remains solidly on the generation of this light.

Numerical investigation into premixed hydrogen combustion within two-stage porous media burner of 1 kW solid oxide fuel cell system

Energy Technology Data Exchange (ETDEWEB)

Yen Tzu-Hsiang; Chen Bao-Dong [Refining and Manufacturing Research Institute, CPC Corporation, Chia-Yi City 60036, Taiwan (China); Hong Wen-Tang; Tsai Yu-Ching; Wang Hung-Yu; Huang Cheng-Nan; Lee Chien-Hsiung [Institute of Nuclear Energy Research Atomic Energy Council, Taoyuan County 32546, Taiwan (China)

2010-07-01

Numerical simulations are performed to analyze the combustion of the anode off-gas / cathode off-gas mixture within the two-stage porous media burner of a 1 kW solid oxide fuel cell (SOFC) system. In performing the simulations, the anode gas is assumed to be hydrogen and the combustion of the gas mixture is modeled using a turbulent flow model. The validity of the numerical model is confirmed by comparing the simulation results for the flame barrier temperature and the porous media temperature with the corresponding experimental results. Simulations are then performed to investigate the effects of the hydrogen content and the burner geometry on the temperature distribution within the burner and the corresponding operational range. It is shown that the maximum flame temperature increases with an increasing hydrogen content. In addition, it is found that the burner has an operational range of 1.2--6.5 kW when assigned its default geometry settings (i.e. a length and diameter of 0.17 m and 0.06 m, respectively), but increases to 2--9 kW and 2.6--11.5 kW when the length and diameter are increased by a factor of 1.5, respectively. Finally, the operational range increases to 3.5--16.5 kW when both the diameter and the length of the burner are increased by a factor of 1.5.

Storage and characterization of the hydrogen in mixed oxides on base of cerium-nickel and zirconium or the aluminium

International Nuclear Information System (INIS)

Debeusscher, S.

2008-12-01

The mixed oxides based on cerium-nickel and zirconium or aluminium are able to store large quantities of hydrogen, To determine nature, reactivity and properties of hydrogen species (spill-over, direct desorption), the solid were studied by different physicochemical techniques in the dried, calcined and partially reduced states: XRD, porosity, TGA, TPR, TPA, TPD, chemical titration and inelastic neutron scattering (INS). Solids are mainly meso-porous with a common pore size at 4 nm, They are constituted of CeO 2 phase, Ce-Ni or Ce-Ni-Zr solid solution and of Ni(OH) 2 in the dried state and NiO in the calcined state. The Ni species are in various environments and the strong interactions between the cations in solid solution and at different particles interface influence their reducibility and the creation of anionic vacancies. Activation in H 2 in temperature is determining for hydrogen storage in the solid while calcination step is not necessary. INS Analyses evidence that the hydrogen species inserted during treatment in H 2 are H + (OH - ), hydride H - and H * (metallic nickel) species, present in various chemical environments, in particular for hydride species. All kinds of hydrogen species participate to the reaction during the chemical titration in agreement with the proposed hydrogenation mechanism. The study of the adsorption of hydrogen shows that this step is fast and in quantity of the same order as that measured by chemical titration. The direct desorption of H 2 is very low, linked to the presence of hydrogen in interaction with metallic nickel (H *- .). Desorption of water is also observed, in parallel, corresponding to the elimination of groups. The hydride species are not desorbed. These various observations allow connecting hydrogen species properties with their localization in the structure and to model active sites. (author)

Hydrogen Pellet-Rotating Plasma Interaction

DEFF Research Database (Denmark)

Jørgensen, L. W.; Sillesen, Alfred Hegaard; Øster, Flemming

1977-01-01

Spectroscopic measurements on the interaction between solid hydrogen pellets and rotating plasmas are reported. It was found that the light emitted is specific to the pellet material, and that the velocity of the ablated H-atoms is of the order of l0^4 m/s. The investigation was carried out...

Studies on displacement behavior between hydrogen and deuterium in hydride column

International Nuclear Information System (INIS)

Lu Guangda; Li Gan; Jiang Guoqiang

2001-01-01

A series displacement experiments between hydrogen and deuterium in ZrCo, LaNi 5 , LaNi 4.7 Al 0.3 and Pd hydride column had been conducted at room temperature about. Results indicate that displacement characteristics related to factors such as temperature, gas flow rate, ratio surface area of solid phase and hydrogen isotope separation factor of the metal-hydrogen system. The palladium hydride have the best displacement characteristics, and LaNi 5 , LaNi 4.7 Al 0.3 and ZrCo are in the next places. Theoretical study reveals that the rule of the exchange reaction of hydrogen isotopes in gas-solid interface determines the displacement behavior and the displacing efficiency depends on exchange rate. The ideal stage mode could be used to describe the displacement breakthrough curve. The height equivalent to theoretical place (HETP) indicates the displacing effects. Also, the separation factor has a serious influence to HETP under the same condition

Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Addition of Hydrogen Atoms.

Science.gov (United States)

Lindquist, Beth A; Takeshita, Tyler Y; Dunning, Thom H

2016-05-05

Ozone (O3) and sulfur dioxide (SO2) are valence isoelectronic species, yet their properties and reactivities differ dramatically. In particular, O3 is highly reactive, whereas SO2 is chemically relatively stable. In this paper, we investigate serial addition of hydrogen atoms to both the terminal atoms of O3 and SO2 and to the central atom of these species. It is well-known that the terminal atoms of O3 are much more amenable to bond formation than those of SO2. We show that the differences in the electronic structure of the π systems in the parent triatomic species account for the differences in the addition of hydrogen atoms to the terminal atoms of O3 and SO2. Further, we find that the π system in SO2, which is a recoupled pair bond dyad, facilitates the addition of hydrogen atoms to the sulfur atom, resulting in stable HSO2 and H2SO2 species.

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

Energy Technology Data Exchange (ETDEWEB)

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

A solid-contact pH-selective electrode based on tridodecylamine as hydrogen neutral ionophore

Science.gov (United States)

Zhang, Jianxin; Guo, Yixuan; Li, Shangjin; Xu, Hui

2016-10-01

The solid-state pH electrode has the potential possibility to be used in many extreme situations with satisfactory accuracy and low cost. But its performance is affected by the solid electrolyte, preparation process, and the structure of the sensitive membrane, etc. In this work, the relationships between these factors and the characteristic of the prepared electrode were verified by controlling the preparation conditions with a variety of electrochemical methods. Firstly, the solid electrolyte poly(3,4-ethylenedioxythiophene)/poly(styrenesulfonate) (PEDOT/PSS) was electrochemically deposited on the screen-printed carbon electrode (SPCE) substrate by a potentiostatic method in an aqueous solution containing 0.01 M 3,4-ethylenedioxythiophene (EDOT) and 0.1 M polystyrene sulfonic (PSS) acid as the supporting electrolyte. The PEDOT films were then characterized by cyclic voltammetry (CV) in the 0.1 M NaNO3 aqueous solution in order to obtain the optimized polymerization potential and charges where the PEDOT film would have a higher redox capacitance. Finally, the pH electrode was prepared by coating the SPCE/PEDOT(PSS) with a plasticized polyvinyl chloride (PVC) membrane containing tridodecylamine as hydrogen ionophore manually, and experiments were carried out to study the effect of the usage of PVC per square millimeter on the response time and stability of the electrode to optimize the PVC film thickness. The potentiometric response of the pH electrode was studied in the buffer solutions with pH ranging from 5.00 to 10.81 by the open-circuit potential (OCP) method. Experimental results show that the sensitivity of the electrode is  -55.7  ±  0.5 mV pH-1 (r 2  >  0.9980) at room temperature (24  ±  1 °C) with pH ranging from 2.00-10.50, approximating to the theoretical nernstian slope (-59.16 mV pH-1),and the response time was less than 10 s. Moreover, it has low impedance, high accuracy and potential stability as well as some

A solid-contact pH-selective electrode based on tridodecylamine as hydrogen neutral ionophore

International Nuclear Information System (INIS)

Zhang, Jianxin; Guo, Yixuan; Li, Shangjin; Xu, Hui

2016-01-01

The solid-state pH electrode has the potential possibility to be used in many extreme situations with satisfactory accuracy and low cost. But its performance is affected by the solid electrolyte, preparation process, and the structure of the sensitive membrane, etc. In this work, the relationships between these factors and the characteristic of the prepared electrode were verified by controlling the preparation conditions with a variety of electrochemical methods. Firstly, the solid electrolyte poly(3,4-ethylenedioxythiophene)/poly(styrenesulfonate) (PEDOT/PSS) was electrochemically deposited on the screen-printed carbon electrode (SPCE) substrate by a potentiostatic method in an aqueous solution containing 0.01 M 3,4-ethylenedioxythiophene (EDOT) and 0.1 M polystyrene sulfonic (PSS) acid as the supporting electrolyte. The PEDOT films were then characterized by cyclic voltammetry (CV) in the 0.1 M NaNO3 aqueous solution in order to obtain the optimized polymerization potential and charges where the PEDOT film would have a higher redox capacitance. Finally, the pH electrode was prepared by coating the SPCE/PEDOT(PSS) with a plasticized polyvinyl chloride (PVC) membrane containing tridodecylamine as hydrogen ionophore manually, and experiments were carried out to study the effect of the usage of PVC per square millimeter on the response time and stability of the electrode to optimize the PVC film thickness. The potentiometric response of the pH electrode was studied in the buffer solutions with pH ranging from 5.00 to 10.81 by the open-circuit potential (OCP) method. Experimental results show that the sensitivity of the electrode is  −55.7  ±  0.5 mV pH −1 ( r 2   >  0.9980) at room temperature (24  ±  1 °C) with pH ranging from 2.00–10.50, approximating to the theoretical nernstian slope (−59.16 mV pH −1 ),and the response time was less than 10 s. Moreover, it has low impedance, high accuracy and potential stability

The microstructure of irradiated hydroxy-terminated polybutadiene

International Nuclear Information System (INIS)

Wu Yiming; Zhou Dezhen; Zhang Zhiping; Jing Yudong; Ying Shengkang

1989-01-01

Hydroxy-terminated polybutadiene (HTPB) is one kind of plybutadiene chief chain structure polymer terminated with hydroxyl groups. Because there are double-bonds in the chief chain, the α-hydrogen atom is very active, and crosslink reaction is easy to take place under γ-ray irradiation. The property of HTPB is affected by γ-ray directly. So it is significant practically and theoreticaly to study the change in structure and property under radiation. The microstructure of HTPB solute molecules and the change of molecular weight with radiation dose were studied by infrared spectra, NMR and GPC in the work. The effects of radiation on HTPB were discussed from the viewpoint of the change of solute molecular structure and gel kinetics. The measured gel dose of HPTB is 0.605 MGY, G = 1.802, thus the authors came to the conclusion that reaction is the chief process in the irradiation of HPTB

Thermochemical hydrogen production studies at LLNL: a status report

International Nuclear Information System (INIS)

Krikorian, O.H.

1982-01-01

Currently, studies are underway at the Lawrence Livermore National Laboratory (LLNL) on thermochemical hydrogen production based on magnetic fusion energy (MFE) and solar central receivers as heat sources. These areas of study were described earlier at the previous IEA Annex I Hydrogen Workshop (Juelich, West Germany, September 23-25, 1981), and a brief update will be given here. Some basic research has also been underway at LLNL on the electrolysis of water from fused phosphate salts, but there are no current results in that area, and the work is being terminated

Water electrolysis

Science.gov (United States)

Schubert, Franz H. (Inventor); Grigger, David J. (Inventor)

1992-01-01

This disclosure is directed to an electrolysis cell forming hydrogen and oxygen at space terminals. The anode terminal is porous and able to form oxygen within the cell and permit escape of the gaseous oxygen through the anode and out through a flow line in the presence of backpressure. Hydrogen is liberated in the cell at the opposing solid metal cathode which is permeable to hydrogen but not oxygen so that the migratory hydrogen formed in the cell is able to escape from the cell. The cell is maintained at an elevated pressure so that the oxygen liberated by the cell is delivered at elevated pressure without pumping to raise the pressure of the oxygen.

Static feed water electrolysis subsystem development

Science.gov (United States)

Schubert, Franz H. (Inventor); Grigger, David J. (Inventor)

1991-01-01

This disclosure is directed to an electrolysis cell forming hydrogen and oxygen at spaced terminals. The anode terminal is porous and able to form oxygen within the cell and permit escape of the gaseous oxygen through the anode and out through a flow line in the presence of backpressure. Hydrogen is liberated in the cell at the opposing solid metal cathode which is permeable to hydrogen but not oxygen so that the migratory hydrogen formed in the cell is able to escape from the cell. The cell is maintained at an elevated pressure so that oxygen liberated by the cell is delivered at elevated pressure without pumping to raise the pressure of the oxygen.

Potential Applications of Friction Stir Welding to the Hydrogen Economy. Hydrogen Regional Infrastructure Program In Pennsylvania, Materials Task

Energy Technology Data Exchange (ETDEWEB)

Brendlinger, Jennifer [Concurrent Technologies Corporation, Johnstown, PA (United States)

2009-07-17

Friction Stir Welding (FSW) is a solid-state welding technique developed by The Welding Institute (TWI) of Cambridge, UK in the early 1990’s. The process uses a non-consumable rotating tool to develop frictional heat and plastically deform workpieces to be joined, resulting in a solid-state weld on the trailing side of the advancing tool. Since the materials to be joined are not melted, FSW results in a finer grain structure and therefore enhanced properties, relative to fusion welds. And unlike fusion welding, a relatively small number of key process parameters exist for FSW: tool rotational speed, linear weld velocity and force perpendicular to the joining surface. FSW is more energy efficient than fusion welding and can be accomplished in one or two passes, versus many more passes required of fusion welding thicker workpieces. Reduced post-weld workpiece distortion is another factor that helps to reduce the cost of FSW relative to fusion welding. Two primary areas have been identified for potential impact on the hydrogen economy: FSW of metallic pipes for hydrogen transmission and FSW of aluminum pressure vessels for hydrogen storage. Both areas have been under active development and are explored in this paper.

Inhibition of the radiolytic hydrogen production in the nuclear waste of 'bitumen coated' type: study of the interaction between hydrogen and cobalt hydroxo-sulphide

International Nuclear Information System (INIS)

Pichon, C.

2006-11-01

In the nuclear field in France, the bitumen is mainly used for the conditioning of the radioactive muds generated by the fuel reprocessing. However, the self-irradiation of the bitumen induces a production of hydrogen which generates safety problems. The comparison of various storage sites showed that the presence of cobalt hydroxo sulphide limited such a production. Consequently, this compound was regarded as an 'inhibitor of radiolytic hydrogen production'. However, the origin of this phenomenon was not clearly identified. In order to propose an explanation to this inhibition phenomenon, model organic molecules were used to represent the components of the bitumen. Irradiations were carried out by protons to simulate the alpha radiolysis. The organic molecules irradiations by a proton beam showed that cobalt hydroxo sulphide CoSOH, does not act as a hydrogenation catalyst of unsaturated hydrocarbons, nor as a radicals scavenger, but consists of a trap of hydrogen. Experiments of hydrogen trapping at ambient temperature were carried out according to two techniques: gravimetry and manometry. The solid was characterized before and after interaction with hydrogen (infrared and Raman spectroscopies, X-ray diffraction). The initial solid was composed of amorphous cobalt hydroxo sulphide and a minor phase of cobalt hydroxide. The gravimetry and manometry experiments showed that the maximum of hydrogen trapping capacity is equal to 0.59 ± 0.18 mole of hydrogen per mole of cobalt. After interaction with hydrogen, the Co(OH) 2 phase disappeared and a new solid phase appeared corresponding to Co 9 S 8 . These observations, as well as the analysis of the gas phase, made it possible to conclude with the following reaction (1): 9 CoSOH + 11/2 H 2 = Co 9 S 8 + 9 H 2 O + H 2 S (1). Gravimetry experiments at temperatures between 50 and 210 C revealed the desorption of water but not of hydrogen sulphide. The absence of hydrogen sulphide in gaseous phase and the Co(OH) 2 phase

Magnetization and spin-polarized conductance of asymmetrically hydrogenated graphene nanoribbons: significance of sigma bands

International Nuclear Information System (INIS)

Honda, Syuta; Inuzuka, Kouhei; Inoshita, Takeshi; Ota, Norio; Sano, Nobuyuki

2014-01-01

The magnetization and spin transport of asymmetric zigzag-edge graphene nanoribbons, terminated by hydrogen on one edge while unterminated on the other edge, were investigated by a combination of first-principles calculations and a tight-binding approach. At the unterminated edge, a spin-polarized σ edge state of minority spin appears near the Fermi level and contributes to spin transport. This state enters the band gap for ribbon widths of less than 15 chains, dominating the spin-polarized current. This indicates the importance of the σ edge states in the design of spintronic devices using graphene nanoribbons. We also examined the case where the ‘unterminated’ edge is partially terminated by hydrogen. (paper)

1H MAS NMR (magic-angle spinning nuclear magnetic resonance) techniques for the quantitative determination of hydrogen types in solid catalysts and supports.

Science.gov (United States)

Kennedy, Gordon J; Afeworki, Mobae; Calabro, David C; Chase, Clarence E; Smiley, Randolph J

2004-06-01

Distinct hydrogen species are present in important inorganic solids such as zeolites, silicoaluminophosphates (SAPOs), mesoporous materials, amorphous silicas, and aluminas. These H species include hydrogens associated with acidic sites such as Al(OH)Si, non-framework aluminum sites, silanols, and surface functionalities. Direct and quantitative methodology to identify, measure, and monitor these hydrogen species are key to monitoring catalyst activity, optimizing synthesis conditions, tracking post-synthesis structural modifications, and in the preparation of novel catalytic materials. Many workers have developed several techniques to address these issues, including 1H MAS NMR (magic-angle spinning nuclear magnetic resonance). 1H MAS NMR offers many potential advantages over other techniques, but care is needed in recognizing experimental limitations and developing sample handling and NMR methodology to obtain quantitatively reliable data. A simplified approach is described that permits vacuum dehydration of multiple samples simultaneously and directly in the MAS rotor without the need for epoxy, flame sealing, or extensive glovebox use. We have found that careful optimization of important NMR conditions, such as magnetic field homogeneity and magic angle setting are necessary to acquire quantitative, high-resolution spectra that accurately measure the concentrations of the different hydrogen species present. Details of this 1H MAS NMR methodology with representative applications to zeolites, SAPOs, M41S, and silicas as a function of synthesis conditions and post-synthesis treatments (i.e., steaming, thermal dehydroxylation, and functionalization) are presented.

Hydrogenation of polycrystalline silicon thin films

Czech Academy of Sciences Publication Activity Database

Honda, Shinya; Mates, Tomáš; Knížek, Karel; Ledinský, Martin; Fejfar, Antonín; Kočka, Jan; Yamazaki, T.; Uraoka, Y.; Fuyuki, T.

2006-01-01

Roč. 501, - (2006), s. 144-148 ISSN 0040-6090 R&D Projects: GA MŠk ME 537; GA MŽP(CZ) SM/300/1/03; GA AV ČR(CZ) IAA1010316; GA AV ČR(CZ) IAA1010413; GA ČR(CZ) GA202/03/0789 Institutional research plan: CEZ:AV0Z1010914 Keywords : polycrystalline silicon * atmospheric pressure chemical vapour deposition * hydrogen passivation * photoluminescence * Raman spectroscopy * Si-H 2 bonding * hydrogen molecules Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.666, year: 2006

Subsurface hydrogen bonds at the polar Zn-terminated ZnO(0001) surface

DEFF Research Database (Denmark)

Hellström, Matti; Beinik, Igor; Broqvist, Peter

2016-01-01

techniques, we find that the polar Zn-terminated ZnO(0001) surface becomes excessively Zn deficient during high-temperature annealing (780 K) in ultrahigh vacuum (UHV). The Zn vacancies align themselves into rows parallel to the [10-10] direction, and the remaining surface Zn ions alternately occupy wurtzite...

The Range of 1-3 keV Electrons in Solid Oxygen and Carbon Monoxide

DEFF Research Database (Denmark)

Oehlenschlæger, M.; Andersen, H.H.; Schou, Jørgen

1985-01-01

The range of 1-3 keV electrons in films of solid oxygen and carbon monoxide has been measured by a mirror substrate method. The technique used here is identical to the one previously used for range measurements in solid hydrogen and nitrogen. The range in oxygen is slightly shorter than that in n......The range of 1-3 keV electrons in films of solid oxygen and carbon monoxide has been measured by a mirror substrate method. The technique used here is identical to the one previously used for range measurements in solid hydrogen and nitrogen. The range in oxygen is slightly shorter than...

Hydrogen - A new green energy

International Nuclear Information System (INIS)

Barnu, Franck

2013-01-01

A set of articles proposes an overview of the role hydrogen might have as energy in the energy transition policy, a review of different areas of research related to the hydrogen sector, and presentations of some remarkable innovations in different specific fields. Hydrogen might be an asset in energy transition because production modes (like electrolysis) result in an almost carbon-free or at least low-carbon hydrogen production. Challenges and perspectives are evoked: energy storage for intermittent energies (the MYRTE platform), the use of a hydrogen-natural mix (GRHYD program), the development of fuel cells for transport applications, and co-generation (Japan is the leader). Different French research organisations are working on different aspects and areas: the H2E program by Air Liquide, fuel cell technologies by GDF Suez, power electrolyzers and cells by Areva. Some aspects and research areas are more specifically detailed: high temperature electrolysis (higher efficiencies, synthesis of methane from hydrogen), fuel cells (using less platinum, and using ceramics for high temperatures), the perspective of solid storage solutions (hydrogen bottles in composite materials, development of 'hydrogen sponges', search for new hydrides). Innovations concern a project car, storage and production (Greenergy Box), the McPhy Energy storage system, an electric bicycle with fuel cell, easy to transport storage means by Air Liquide and Composites Aquitaine, development of energy autonomy, fuel cells for cars, electrolyzers using the Proton Exchange Membrane or PEM technology

Magnetism of triangular nanoflakes with different compositions and edge terminations

International Nuclear Information System (INIS)

Zhang Shunhong; Zhou Jian; Li Xiaowei; Wang Qian

2012-01-01

Since the discovery of the giant magnetoresistance effect, extensive research has been devoted to finding new materials for spintronic devices. The hotly pursued nanostructure-based magnetic materials are potential candidates for such applications. Among them, graphene triangular nanoflakes (G-TNFs), due to their special magnetic configurations, can serve as building blocks for design of new C-based magnetic materials. This motivates the present study to systematically investigate how magnetism of the TNFs changes with their edge termination, composition, and atomic distribution. Using density functional theory, we show that the F-terminated G-TNFs have similar magnetic behavior to the H-terminated G-TNFs. Besides the edge terminations, partially hydrogenation of interior C atoms in the G-TNFs breaks the conjugate π orbitals and thus leads to extra net magnetic moment. The IV-group binary SiC-TNFs resemble the G-TNFs in magnetic properties, while the III–V group binary BN- and AlN-TNFs are different although they also have honeycomb structures. The different magnetic behaviors originate from the different occupations of p z atomic orbitals and the resulting change of conjugate π molecular orbitals. This study provides physical insight on tuning the magnetic behavior of TNFs through controlling their composition, size, and edge termination.

Properties of Mg-Al alloys in relation to hydrogen storage

DEFF Research Database (Denmark)

Andreasen, A.

2005-01-01

storage e.g. in stationary applications. In this report the properties of Mg-Al alloys are reviewed in relation to solid state hydrogen storage. Alloying with Al reduces the hydrogen capacity since Al doesnot form a hydride under conventional hydriding conditions, however both the thermodynamical......Magnesium theoretically stores 7.6 wt. % hydrogen, although it requires heating to above 300 degrees C in order to release hydrogen. This limits its use for mobile application. However, due to its low price and abundance magnesium should still beconsidered as a potential candidate for hydrogen...... properties (lower desorption temperature), and kinetics of hydrogenation/dehydrogenation are improved. In addition to this, the low price of the hydride isretained along with improved heat transfer properties and improved resistance towards oxygen contamination....

Numerical and experimental analysis of heat transfer in injector plate of hydrogen peroxide hybrid rocket motor

Science.gov (United States)

Cai, Guobiao; Li, Chengen; Tian, Hui

2016-11-01

This paper is aimed to analyze heat transfer in injector plate of hydrogen peroxide hybrid rocket motor by two-dimensional axisymmetric numerical simulations and full-scale firing tests. Long-time working, which is an advantage of hybrid rocket motor over conventional solid rocket motor, puts forward new challenges for thermal protection. Thermal environments of full-scale hybrid rocket motors designed for long-time firing tests are studied through steady-state coupled numerical simulations of flow field and heat transfer in chamber head. The motor adopts 98% hydrogen peroxide (98HP) oxidizer and hydroxyl-terminated poly-butadiene (HTPB) based fuel as the propellants. Simulation results reveal that flowing liquid 98HP in head oxidizer chamber could cool the injector plate of the motor. The cooling of 98HP is similar to the regenerative cooling in liquid rocket engines. However, the temperature of the 98HP in periphery portion of the head oxidizer chamber is higher than its boiling point. In order to prevent the liquid 98HP from unexpected decomposition, a thermal protection method for chamber head utilizing silica-phenolics annular insulating board is proposed. The simulation results show that the annular insulating board could effectively decrease the temperature of the 98HP in head oxidizer chamber. Besides, the thermal protection method for long-time working hydrogen peroxide hybrid rocket motor is verified through full-scale firing tests. The ablation of the insulating board in oxygen-rich environment is also analyzed.

Intrinsic hydrogen-terminated diamond as ion-sensitive field effect transistor

Czech Academy of Sciences Publication Activity Database

Rezek, Bohuslav; Shin, D.; Watanabe, H.; Nebel, C.E.

2007-01-01

Roč. 122, - (2007), s. 596-599 ISSN 0925-4005 Institutional research plan: CEZ:AV0Z10100521 Keywords : diamond film * surface electronic properties * field effect transistor * pH sensor * semiconductor-electrolyte interface Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.934, year: 2007

Efficient STEP (solar thermal electrochemical photo) production of hydrogen - an economic assessment

Energy Technology Data Exchange (ETDEWEB)

Licht, Stuart [Department of Chemistry, George Washington University, Ashburn, VA 20147 (United States); Solar Institute, George Washington University, Washington, DC 20052 (United States); Chitayat, Olivia; Bergmann, Harry; Dick, Andrew; Ayub, Hina [Solar Institute, George Washington University, Washington, DC 20052 (United States); Ghosh, Susanta [Department of Chemistry, George Washington University, Ashburn, VA 20147 (United States); Department of Chemistry, Visva-Bharati, Santiniketan (India)

2010-10-15

A consideration of the economic viability of hydrogen fuel production is important in the STEP (Solar Thermal Electrochemical Photo) production of hydrogen fuel. STEP is an innovative way to decrease costs and increase the efficiency of hydrogen fuel production, which is a synergistic process that can use concentrating photovoltaics (CPV) and solar thermal energy to drive a high temperature, low voltage, electrolysis (water-splitting), resulting in H{sub 2} at decreased energy and higher solar efficiency. This study provides evidence that the STEP system is an economically viable solution for the production of hydrogen. STEP occurs at both higher electrolysis and solar conversion efficiencies than conventional room temperature photovoltaic (PV) generation of hydrogen. This paper probes the economic viability of this process, by comparing four different systems: (1) 10% or (2) 14% flat plate PV driven aqueous alkaline electrolysis H{sub 2} production, (3) 25% CPV driven molten electrolysis H{sub 2} production, and (4) 35% CPV driven solid oxide electrolysis H{sub 2} production. The molten and solid oxide electrolysers are high temperature systems that can make use of light, normally discarded, for heating. This significantly increases system efficiency. Using levelized cost analysis, this study shows significant cost reduction using the STEP system. The total price per kg of hydrogen is shown to decrease from 5.74 to 4.96 to 3.01 to 2.61 with the four alternative systems. The advanced STEP plant requires less than one seventh of the land area of the 10% flat cell plant. To generate the 216 million kg H{sub 2}/year required by 1 million fuel cell vehicles, the 35% CPV driven solid oxide electrolysis requires a plant only 9.6 mi{sup 2} in area. While PV and electrolysis components dominate the cost of conventional PV generated hydrogen, they do not dominate the cost of the STEP-generated hydrogen. The lower cost of STEP hydrogen is driven by residual distribution and

Hydrogen production from paper sludge hydrolysate

NARCIS (Netherlands)

Kádár, Z.; Vrije, de G.J.; Budde, M.A.W.; Szengyel, Z.; Reczey, K.; Claassen, P.A.M.

2003-01-01

The main objective of this study was to develop a system for the production of 'renewable' hydrogen. Paper sludge is a solid industrial waste yielding mainly cellulose, which can be used, after hydrolysis, as a feedstock in anaerobic fermentation by (hyper)thermophilic organisms, such as Thermotoga

Mathematical modeling of the coupled transport and electrochemical reactions in solid oxide steam electrolyzer for hydrogen production

International Nuclear Information System (INIS)

Ni, Meng; Leung, Michael K.H.; Leung, Dennis Y.C.

2007-01-01

A mathematical model was developed to simulate the coupled transport/electrochemical reaction phenomena in a solid oxide steam electrolyzer (SOSE) at the micro-scale level. Ohm's law, dusty gas model (DGM), Darcy's law, and the generalized Butler Volmer equation were employed to determine the transport of electronic/ionic charges and gas species as well as the electrochemical reactions. Parametric analyses were performed to investigate the effects of operating parameters and micro-structural parameters on SOSE potential. The results substantiated the fact that SOSE potential could be effectively decreased by increasing the operating temperature. In addition, higher steam molar fraction would enhance the operation of SOSE with lower potential. The effect of particle sizes on SOSE potential was studied with due consideration on the SOSE activation and concentration overpotentials. Optimal particle sizes that could minimize the SOSE potential were obtained. It was also found that decreasing electrode porosity could monotonically decrease the SOSE potential. Besides, optimal values of volumetric fraction of electronic particles were found to minimize electrode total overpotentials. In order to optimize electrode microstructure to minimize SOSE electricity consumption, the concept of 'functionally graded materials (FGM)' was introduced to lower the SOSE potential. The advanced design of particle size graded SOSE was found effective for minimizing electrical energy consumption resulting in efficient SOSE hydrogen production. The micro-scale model was capable of predicting SOSE hydrogen production performance and would be a useful tool for design optimization

Increasing hydrogen storage capacity using tetrahydrofuran.

Science.gov (United States)

Sugahara, Takeshi; Haag, Joanna C; Prasad, Pinnelli S R; Warntjes, Ashleigh A; Sloan, E Dendy; Sum, Amadeu K; Koh, Carolyn A

2009-10-21

Hydrogen hydrates with tetrahydrofuran (THF) as a promoter molecule are investigated to probe critical unresolved observations regarding cage occupancy and storage capacity. We adopted a new preparation method, mixing solid powdered THF with ice and pressurizing with hydrogen at 70 MPa and 255 +/- 2 K (these formation conditions are insufficient to form pure hydrogen hydrates). All results from Raman microprobe spectroscopy, powder X-ray diffraction, and gas volumetric analysis show a strong dependence of hydrogen storage capacity on THF composition. Contrary to numerous recent reports that claim it is impossible to store H(2) in large cages with promoters, this work shows that, below a THF mole fraction of 0.01, H(2) molecules can occupy the large cages of the THF+H(2) structure II hydrate. As a result, by manipulating the promoter THF content, the hydrogen storage capacity was increased to approximately 3.4 wt % in the THF+H(2) hydrate system. This study shows the tuning effect may be used and developed for future science and practical applications.

Nanosizing and nanoconfinement: new strategies towards meeting hydrogen storage goals.

Science.gov (United States)

de Jongh, Petra E; Adelhelm, Philipp

2010-12-17

Hydrogen is expected to play an important role as an energy carrier in a future, more sustainable society. However, its compact, efficient, and safe storage is an unresolved issue. One of the main options is solid-state storage in hydrides. Unfortunately, no binary metal hydride satisfies all requirements regarding storage density and hydrogen release and uptake. Increasingly complex hydride systems are investigated, but high thermodynamic stabilities as well as slow kinetics and poor reversibility are important barriers for practical application. Nanostructuring by ball-milling is an established method to reduce crystallite sizes and increase reaction rates. Since five years attention has also turned to alternative preparation techniques that enable particle sizes below 10 nanometers and are often used in conjunction with porous supports or scaffolds. In this Review we discuss the large impact of nanosizing and -confinement on the hydrogen sorption properties of metal hydrides. We illustrate possible preparation strategies, provide insight into the reasons for changes in kinetics, reversibility and thermodynamics, and highlight important progress in this field. All in all we provide the reader with a clear view of how nanosizing and -confinement can beneficially affect the hydrogen sorption properties of the most prominent materials that are currently considered for solid-state hydrogen storage.

The creation of strongly coupled plasmas using an intense heavy ion beam: low-entropy compression of hydrogen and the problem of hydrogen metallization

Energy Technology Data Exchange (ETDEWEB)

Tahir, N A [Institut fuer Theoretische Physik, Universitaet Frankfurt, Postfach 11 19 32, 60054 Frankfurt (Germany); Piriz, A R [ETSI Industriales, Universidad de Castilla-La Mancha, 13071 Ciudad Real (Spain); Shutov, A [Institute for Problems in Chemical Physics Research, Chernogolovka, Russia (Russian Federation); Varentsov, D [Institut fuer Kernphysik, Technische Universitaet Darmstadt, Schlossgarten Str. 9, 64289 Darmstadt (Germany); Udrea, S [Institut fuer Kernphysik, Technische Universitaet Darmstadt, Schlossgarten Str. 9, 64289 Darmstadt (Germany); Hoffmann, D H H [Institut fuer Kernphysik, Technische Universitaet Darmstadt, Schlossgarten Str. 9, 64289 Darmstadt (Germany); Juranek, H [Fachbereich Physik, Universitaet Rostock, 18051 Rostock (Germany); Redmer, R [Fachbereich Physik, Universitaet Rostock, 18051 Rostock (Germany); Portugues, R F [ETSI Industriales, Universidad de Castilla-La Mancha, 13071 Ciudad Real (Spain); Lomonosov, I [Institute for Problems in Chemical Physics Research, Chernogolovka, Russia (Russian Federation); Fortov, V E [Institute for Problems in Chemical Physics Research, Chernogolovka, Russia (Russian Federation)

2003-06-06

Intense heavy ion beams deposit energy very efficiently over extended volumes of solid density targets, thereby creating large samples of strongly coupled plasmas. Intense beams of energetic heavy ions are therefore an ideal tool to research this interesting field. It is also possible to design experiments using special beam-target geometries to achieve low-entropy compression of samples of matter. This type of experiments is of particular interest for studying the problem of hydrogen metallization. In this paper we present a design study of such a proposed experiment that will be carried out at the future heavy ion synchrotron facility SIS100, at the Gesellschaft fuer Schwerionenforschung, Darmstadt. This study has been done using a two-dimensional hydrodynamic computer code. The target consists of a solid hydrogen cylinder that is enclosed in a thick shell of lead whose one face is irradiated with an ion beam which has an annular (ring shaped) focal spot. The beam intensity and other parameters are considered to be the same as expected at the future SIS100 facility. The simulations show that due to multiple shock reflection between the cylinder axis and the lead-hydrogen boundary, one can achieve up to 20 times solid density in hydrogen while keeping the temperature as low as a few thousand K. The corresponding pressure is of the order of 10 Mbar. These values of the physical parameters lie within the range of theoretically predicted values for hydrogen metallization. We have also carried out a parameter study of this problem by varying the target and beam parameters over a wide range. It has been found that the results are very insensitive to such changes in the input parameters.

The creation of strongly coupled plasmas using an intense heavy ion beam: low-entropy compression of hydrogen and the problem of hydrogen metallization

International Nuclear Information System (INIS)

Tahir, N A; Piriz, A R; Shutov, A; Varentsov, D; Udrea, S; Hoffmann, D H H; Juranek, H; Redmer, R; Portugues, R F; Lomonosov, I; Fortov, V E

2003-01-01

Intense heavy ion beams deposit energy very efficiently over extended volumes of solid density targets, thereby creating large samples of strongly coupled plasmas. Intense beams of energetic heavy ions are therefore an ideal tool to research this interesting field. It is also possible to design experiments using special beam-target geometries to achieve low-entropy compression of samples of matter. This type of experiments is of particular interest for studying the problem of hydrogen metallization. In this paper we present a design study of such a proposed experiment that will be carried out at the future heavy ion synchrotron facility SIS100, at the Gesellschaft fuer Schwerionenforschung, Darmstadt. This study has been done using a two-dimensional hydrodynamic computer code. The target consists of a solid hydrogen cylinder that is enclosed in a thick shell of lead whose one face is irradiated with an ion beam which has an annular (ring shaped) focal spot. The beam intensity and other parameters are considered to be the same as expected at the future SIS100 facility. The simulations show that due to multiple shock reflection between the cylinder axis and the lead-hydrogen boundary, one can achieve up to 20 times solid density in hydrogen while keeping the temperature as low as a few thousand K. The corresponding pressure is of the order of 10 Mbar. These values of the physical parameters lie within the range of theoretically predicted values for hydrogen metallization. We have also carried out a parameter study of this problem by varying the target and beam parameters over a wide range. It has been found that the results are very insensitive to such changes in the input parameters

Ambient-temperature fabrication of microporous carbon terminated with graphene walls by sputtering process for hydrogen storage applications

International Nuclear Information System (INIS)

Banerjee, Arghya Narayan; Joo, Sang Woo; Min, Bong-Ki

2013-01-01

A very thin amorphous carbon film (10–30 nm), has been bombarded with sputtered Cr nanoparticles, resulting in inelastic collision between the nanoparticles and the nuclei of the C-atoms causing atom displacement and re-arrangement into graphene layers. The process occurs at ambient temperature. Fabrication of graphitic microporous carbon terminated with few-to-multilayer graphene walls has been verified by Raman spectroscopy and scanning transmission electron microscopy. High resolution transmission electron micrographs reveal that the formation of graphene layers is highly sensitive to the sputtering parameters. With a gradual increase in the sputtering voltage/current density/time from 3.5 kV/40 mA–cm −2 /1.0 min to 5.0 kV/70 mA–cm −2 /3.0 min the graphitic domains are found to transform from semi-graphitized layers to well-defined, highly ordered, larger-area graphene walls within the microporous network. The mechanism of this graphitic microporous carbon formation is assumed to be due to two simultaneous processes: in one hand, the sputtering plasma, containing energetic ions and sub-atomic particles, act as dry-etchant to activate the a:C film to transform it into microporous carbon, whereas on the other hand, the charged metal nanoparticle/ion bombardment under sputtering resulted in the inelastic collision between the nanoparticles/ions and the nuclei of the C atoms followed by atom displacement (and displacement cascade) and re-arrangement into ordered structure to form graphitic domains within the microporous carbon network. H 2 storage experiment of the samples depicts excellent hydrogen storage properties. This simple, cost-effective, complementary-metal-oxide-semiconductor-compatible, single-step process of metal-graphene hybrid nanomaterial formation may find interesting applications in the field of optoelectronics and biotechnology. Additionally, this method can be adopted easily for the incorporation of transition metals into graphene and

Predicting protein aggregation during storage in lyophilized solids using solid state amide hydrogen/deuterium exchange with mass spectrometric analysis (ssHDX-MS).

Science.gov (United States)

Moorthy, Balakrishnan S; Schultz, Steven G; Kim, Sherry G; Topp, Elizabeth M

2014-06-02

Solid state amide hydrogen/deuterium exchange with mass spectrometric analysis (ssHDX-MS) was used to assess the conformation of myoglobin (Mb) in lyophilized formulations, and the results correlated with the extent of aggregation during storage. Mb was colyophilized with sucrose (1:1 or 1:8 w/w), mannitol (1:1 w/w), or NaCl (1:1 w/w) or in the absence of excipients. Immediately after lyophilization, samples of each formulation were analyzed by ssHDX-MS and Fourier transform infrared spectroscopy (FTIR) to assess Mb conformation, and by dynamic light scattering (DLS) and size exclusion chromatography (SEC) to determine the extent of aggregation. The remaining samples were then placed on stability at 25 °C and 60% RH or 40 °C and 75% RH for up to 1 year, withdrawn at intervals, and analyzed for aggregate content by SEC and DLS. In ssHDX-MS of samples immediately after lyophilization (t = 0), Mb was less deuterated in solids containing sucrose (1:1 and 1:8 w/w) than in those containing mannitol (1:1 w/w), NaCl (1:1 w/w), or Mb alone. Deuterium uptake kinetics and peptide mass envelopes also indicated greater Mb structural perturbation in mannitol, NaCl, or Mb-alone samples at t = 0. The extent of deuterium incorporation and kinetic parameters related to rapidly and slowly exchanging amide pools (Nfast, Nslow), measured at t = 0, were highly correlated with the extent of aggregation on storage as measured by SEC. In contrast, the extent of aggregation was weakly correlated with FTIR band intensity and peak position measured at t = 0. The results support the use of ssHDX-MS as a formulation screening tool in developing lyophilized protein drug products.

Preparing valuable hydrocarbons by hydrogenation

Energy Technology Data Exchange (ETDEWEB)

Pier, M

1930-08-22

A process is described for the preparation of valuable hydrocarbons by treatment of carbonaceous materials, like coal, tars, minerals oils, and their distillation and conversion products, and for refining of liquid hydrocarbon mixture obtained at raised temperature and under pressure, preferably in the presence of catalysts, by the use of hydrogen-containing gases, purified and obtained by distilling solid combustibles, characterized by the purification of the hydrogen-containing gases being accomplished for the purpose of practically complete removal of the oxygen by heating at ordinary or higher pressure in the presence of a catalyst containing silver and oxides of metals of group VI of the periodic system.

Reassigning hydrogen-bond centering in dense ice

International Nuclear Information System (INIS)

Benoit, Magali; Romero, Aldo H.; Marx, Dominik

2002-01-01

Hydrogen bonds in H 2 O ice change dramatically upon compression. Thereby a hydrogen-bonded molecular crystal, ice VII, is transformed to an atomic crystal, ice X. Car-Parrinello simulations reproduce the features of the x-ray diffraction spectra up to about 170 GPa but allow for analysis in real space. Starting from molecular ice VII with static orientational disorder, dynamical translational disordering occurs first via creation of ionic defects, which results in a systematic violation of the ice rules. As a second step, the transformation to an atomic solid and thus hydrogen-bond centering occurs around 110 GPa at 300 K and no novel phase is found up to at least 170 GPa

The α-helical C-terminal domain of full-length recombinant PrP converts to an in-register parallel β-sheet structure in PrP fibrils: evidence from solid state nuclear magnetic resonance.

Science.gov (United States)

Tycko, Robert; Savtchenko, Regina; Ostapchenko, Valeriy G; Makarava, Natallia; Baskakov, Ilia V

2010-11-09

We report the results of solid state nuclear magnetic resonance (NMR) measurements on amyloid fibrils formed by the full-length prion protein PrP (residues 23−231, Syrian hamster sequence). Measurements of intermolecular 13C−13C dipole−dipole couplings in selectively carbonyl-labeled samples indicate that β-sheets in these fibrils have an in-register parallel structure, as previously observed in amyloid fibrils associated with Alzheimer’s disease and type 2 diabetes and in yeast prion fibrils. Two-dimensional 13C−13C and 15N−13C solid state NMR spectra of a uniformly 15N- and 13C-labeled sample indicate that a relatively small fraction of the full sequence, localized to the C-terminal end, forms the structurally ordered, immobilized core. Although unique site-specific assignments of the solid state NMR signals cannot be obtained from these spectra, analysis with a Monte Carlo/simulated annealing algorithm suggests that the core is comprised primarily of residues in the 173−224 range. These results are consistent with earlier electron paramagnetic resonance studies of fibrils formed by residues 90−231 of the human PrP sequence, formed under somewhat different conditions [Cobb, N. J., Sonnichsen, F. D., McHaourab, H., and Surewicz, W. K. (2007) Proc. Natl. Acad. Sci. U.S.A. 104, 18946−18951], suggesting that an in-register parallel β-sheet structure formed by the C-terminal end may be a general feature of PrP fibrils prepared in vitro.

A hydrogen production experiment by the thermo-chemical and electrolytic hybrid hydrogen production in lower temperature range. System viability and preliminary thermal efficiency estimation

International Nuclear Information System (INIS)

Takai, Toshihide; Nakagiri, Toshio; Inagaki, Yoshiyuki

2008-10-01

A new experimental apparatus by the thermo-chemical and electrolytic Hybrid-Hydrogen production in Lower Temperature range (HHLT) was developed and hydrogen production experiment was performed to confirm the system operability. Hydrogen production efficiency was estimated and technical problems were clarified through the experimental results. Stable operation of the SO 3 electrolysis cell and the sulfur dioxide solution electrolysis cell were confirmed during experimental operation and any damage which would be affected solid operation was not detected under post operation inspection. To improve hydrogen production efficiency, it was found that the reduction of sulfuric acid circulation and the decrease in the cell voltage were key issues. (author)

Inhibition of the radiolytic hydrogen production in the nuclear waste of 'bitumen coated' type: study of the interaction between hydrogen and cobalt hydroxo-sulphide; Inhibition de la production d'hydrogene radiolytique dans les dechets nucleaires de type 'enrobes bitumineux': etude de l'interaction entre l'hydrogene et l'hydroxosulfure de cobalt

Energy Technology Data Exchange (ETDEWEB)

Pichon, C

2006-11-15

In the nuclear field in France, the bitumen is mainly used for the conditioning of the radioactive muds generated by the fuel reprocessing. However, the self-irradiation of the bitumen induces a production of hydrogen which generates safety problems. The comparison of various storage sites showed that the presence of cobalt hydroxo sulphide limited such a production. Consequently, this compound was regarded as an 'inhibitor of radiolytic hydrogen production'. However, the origin of this phenomenon was not clearly identified. In order to propose an explanation to this inhibition phenomenon, model organic molecules were used to represent the components of the bitumen. Irradiations were carried out by protons to simulate the alpha radiolysis. The organic molecules irradiations by a proton beam showed that cobalt hydroxo sulphide CoSOH, does not act as a hydrogenation catalyst of unsaturated hydrocarbons, nor as a radicals scavenger, but consists of a trap of hydrogen. Experiments of hydrogen trapping at ambient temperature were carried out according to two techniques: gravimetry and manometry. The solid was characterized before and after interaction with hydrogen (infrared and Raman spectroscopies, X-ray diffraction). The initial solid was composed of amorphous cobalt hydroxo sulphide and a minor phase of cobalt hydroxide. The gravimetry and manometry experiments showed that the maximum of hydrogen trapping capacity is equal to 0.59 {+-} 0.18 mole of hydrogen per mole of cobalt. After interaction with hydrogen, the Co(OH){sub 2} phase disappeared and a new solid phase appeared corresponding to Co{sub 9}S{sub 8}. These observations, as well as the analysis of the gas phase, made it possible to conclude with the following reaction (1): 9 CoSOH + 11/2 H{sub 2} = Co{sub 9}S{sub 8} + 9 H{sub 2}O + H{sub 2}S (1). Gravimetry experiments at temperatures between 50 and 210 C revealed the desorption of water but not of hydrogen sulphide. The absence of hydrogen

Modified energetics and growth kinetics on H-terminated GaAs (110)

International Nuclear Information System (INIS)

Galiana, B.; Benedicto, M.; Díez-Merino, L.; Tejedor, P.; Lorbek, S.; Hlawacek, G.; Teichert, C.

2013-01-01

Atomic hydrogen modification of the surface energy of GaAs (110) epilayers, grown at high temperatures from molecular beams of Ga and As 4 , has been investigated by friction force microscopy (FFM). The reduction of the friction force observed with longer exposures to the H beam has been correlated with the lowering of the surface energy originated by the progressive de-relaxation of the GaAs (110) surface occurring upon H chemisorption. Our results indicate that the H-terminated GaAs (110) epilayers are more stable than the As-stabilized ones, with the minimum surface energy value of 31 meV/Å 2 measured for the fully hydrogenated surface. A significant reduction of the Ga diffusion length on the H-terminated surface irrespective of H coverage has been calculated from the FFM data, consistent with the layer-by-layer growth mode and the greater As incorporation coefficient determined from real-time reflection high-energy electron diffraction studies. Arsenic incorporation through direct dissociative chemisorption of single As 4 molecules mediated by H on the GaAs (110) surface has been proposed as the most likely explanation for the changes in surface kinetics observed

Modified energetics and growth kinetics on H-terminated GaAs (110)

Energy Technology Data Exchange (ETDEWEB)

Galiana, B. [Instituto de Ciencia de Materiales de Madrid, CSIC, Sor Juana Inés de la Cruz 3, 28049 Madrid (Spain); Departamento de Física, Universidad Carlos III de Madrid, Avenida de la Universidad 30, 28911 Madrid (Spain); Benedicto, M.; Díez-Merino, L.; Tejedor, P. [Instituto de Ciencia de Materiales de Madrid, CSIC, Sor Juana Inés de la Cruz 3, 28049 Madrid (Spain); Lorbek, S.; Hlawacek, G.; Teichert, C. [Institut für Physik, Montanuniversität Leoben, Franz Josef St., 18A-8700 Leoben (Austria)

2013-10-28

Atomic hydrogen modification of the surface energy of GaAs (110) epilayers, grown at high temperatures from molecular beams of Ga and As{sub 4}, has been investigated by friction force microscopy (FFM). The reduction of the friction force observed with longer exposures to the H beam has been correlated with the lowering of the surface energy originated by the progressive de-relaxation of the GaAs (110) surface occurring upon H chemisorption. Our results indicate that the H-terminated GaAs (110) epilayers are more stable than the As-stabilized ones, with the minimum surface energy value of 31 meV/Å{sup 2} measured for the fully hydrogenated surface. A significant reduction of the Ga diffusion length on the H-terminated surface irrespective of H coverage has been calculated from the FFM data, consistent with the layer-by-layer growth mode and the greater As incorporation coefficient determined from real-time reflection high-energy electron diffraction studies. Arsenic incorporation through direct dissociative chemisorption of single As{sub 4} molecules mediated by H on the GaAs (110) surface has been proposed as the most likely explanation for the changes in surface kinetics observed.

Novel Concept For Hydrogen And CO2 Separation

International Nuclear Information System (INIS)

Adam Campen; Kanchan Mondal; Tomasz Wiltowski; Tomasz Wiltowski

2006-01-01

The process was developed for the separation of hydrogen from coal gasification based syngas components for end uses such as clean energy production. The process is flexible such that it can be used within the gasifier to separate hydrogen or as a separate unit process, depending on the requirements of the process design. The basic idea of the research was to design and apply solids to be used in a fixed bed reactor that will increase the hydrogen yield as well as capture greenhouse gases in its matrix through reaction. The end product envisioned in this process is pure hydrogen. The spent solids were then regenerated thermo neutrally while releasing sequestration-ready carbon dioxide. The research involved the validation of the process along with the evaluation of the process parameters to maximize the hydrogen content in the product stream. The effect of sulfur (present as H 2 S) in the product stream on the process efficiency was also evaluated. Most importantly, the solids were designed such that they have the maximum selectivity to the beneficial reactions while maintaining their structure and activity through the reaction-regeneration cycles. Iron (created by reduction of hematite with syngas) was selected as the Boudouard catalyst and CaO was selected as the carbon dioxide removal material. Thermogravimetric (TG) and Temperature Programmed Reduction (TPR) Analysis were utilized to evaluate the reaction rate parameters, and capacity for CO 2 . Specially synthesized CaO (wherein the surface properties were modified) was found to provide better capacity and reaction rates as compared to commercially available CaO. In addition, these specially synthesized CaO-based sorbent showed lower deactivation over multiple cycles. Experiments were also performed with different compositions of syngas to identify the optimal conditions for pure H 2 production. Finally, simultaneous coal gasification and hydrogen enrichment experiments were conducted. It was found that for a

Preparation and characterization of mechanically alloyed AB3-type based material LaMg2Ni5Al4 and its solid-gaz hydrogen storage reaction

Science.gov (United States)

Jaafar, Hassen; Aymard, Luc; Dachraoui, Walid; Demortière, Arnaud; Abdellaoui, Mohieddine

2018-04-01

We developed in the present paper the synthesis of a new AB3-type compound LaMg2Ni5Al4 by mechanical alloying (MA) process. ​​X-ray diffraction analysis (XRD) was used to determine the structural properties and the phase evolution of the powder mixtures. Two different synthesis pathways have been investigated. The first starting from elemental metals and the second from a mixture of two binary compounds LaNi5 (CaCu5-type structure, P6/mmm space group) and Al(Mg) solid solution (cubic Fm-3 m space group). The results show multiphase alloys which contain LaMg2Ni5Al4 main phase with hexagonal PuNi3-type structure (R-3 m space group). Rietveld analysis shows that using a planetary ball mill, we obtain a good yield of LaMg2Ni5Al4 compound after 5 h of mechanical alloying for both synthesis pathways. TEM analysis confirmed XRD results. SEM-EDX analysis of the final product was in agreement with the nominal chemical formula. A setup of possible solid-gaz hydrogenation reaction will be described so far at the end of this work. Electrochemical results demonstrate evidence on hydrogen absorption in the AB3 material and the discharge capacity was equal to 5.9 H/f.u.

Properties of MgAl alloys in relation to hydrogen storage

Energy Technology Data Exchange (ETDEWEB)

Andreasen, Anders

2005-08-01

Magnesium theoretically stores 7.6 wt. % hydrogen, although it requires heating to above 300 degrees C in order to release hydrogen. This limits its use for mobile application. However, due to its low price and abundance magnesium should still be considered as a potential candidate for hydrogen storage e.g. in stationary applications. In this report the properties of Mg-Al alloys are reviewed in relation to solid state hydrogen storage Alloying with Al reduces the hydrogen capacity since Al does not form a hydride under conventional hydriding conditions, however both the thermodynamical properties (lower desorption temperature), and kinetics of hydrogenation/dehydrogenation are improved. In addition to this, the low price of the hydride is retained along with improved heat transfer properties and improved resistance towards oxygen contamination. (au)

NMR Analysis of Amide Hydrogen Exchange Rates in a Pentapeptide-Repeat Protein from A. thaliana.

Science.gov (United States)

Xu, Shenyuan; Ni, Shuisong; Kennedy, Michael A

2017-05-23

At2g44920 from Arabidopsis thaliana is a pentapeptide-repeat protein (PRP) composed of 25 repeats capped by N- and C-terminal α-helices. PRP structures are dominated by four-sided right-handed β-helices typically consisting of mixtures of type II and type IV β-turns. PRPs adopt repeated five-residue (Rfr) folds with an Rfr consensus sequence (STAV)(D/N)(L/F)(S/T/R)(X). Unlike other PRPs, At2g44920 consists exclusively of type II β-turns. At2g44920 is predicted to be located in the thylakoid lumen although its biochemical function remains unknown. Given its unusual structure, we investigated the biophysical properties of At2g44920 as a representative of the β-helix family to determine if it had exceptional global stability, backbone dynamics, or amide hydrogen exchange rates. Circular dichroism measurements yielded a melting point of 62.8°C, indicating unexceptional global thermal stability. Nuclear spin relaxation measurements indicated that the Rfr-fold core was rigid with order parameters ranging from 0.7 to 0.9. At2g44920 exhibited a striking range of amide hydrogen exchange rates spanning 10 orders of magnitude, with lifetimes ranging from minutes to several months. A weak correlation was found among hydrogen exchange rates, hydrogen bonding energies, and amino acid solvent-accessible areas. Analysis of contributions from fast (approximately picosecond to nanosecond) backbone dynamics to amide hydrogen exchange rates revealed that the average order parameter of amides undergoing fast exchange was significantly smaller compared to those undergoing slow exchange. Importantly, the activation energies for amide hydrogen exchange were found to be generally higher for the slowest exchanging amides in the central Rfr coil and decreased toward the terminal coils. This could be explained by assuming that the concerted motions of two preceding or following coils required for hydrogen bond disruption and amide hydrogen exchange have a higher activation energy

Interaction of Hydrogen with MOF-5.

Science.gov (United States)

Bordiga, Silvia; Vitillo, Jenny G; Ricchiardi, Gabriele; Regli, Laura; Cocina, Donato; Zecchina, Adriano; Arstad, Bjørnar; Bjørgen, Morten; Hafizovic, Jasmina; Lillerud, Karl Petter

2005-10-06

Hydrogen storage is among the most demanding challenges in the hydrogen-based energy cycle. One proposed strategy for hydrogen storage is based on physisorption on high surface area solids such as metal-organic frameworks (MOFs). Within this class of materials, MOF-5 has been the first structure studied for hydrogen storage. The IR spectroscopy of adsorbed H2 performed at 15 K and ab initio calculations show that the adsorptive properties of this material are mainly due to dispersive interactions with the internal wall structure and to weak electrostatic forces associated with O13Zn4 clusters. Calculated and measured binding enthalpies are between 2.26 and 3.5 kJ/mol, in agreement with the H2 rotational barriers reported in the literature. A minority of binding sites with higher adsorption enthalpy (7.4 kJ/mol) is also observed. These species are probably associated with OH groups on the external surfaces present as termini of the microcrystals.

HYDROGEN ENERGY: TERCEIRA ISLAND DEMONSTRATION FACILITY

Directory of Open Access Journals (Sweden)

MARIO ALVES

2008-07-01

Full Text Available The present paper gives a general perspective of the efforts going on at Terceira Island in Azores, Portugal, concerning the implementation of an Hydrogen Economy demonstration campus. The major motivation for such a geographical location choice was the abundance of renewable resources like wind, sea waves and geothermal enthalpy, which are of fundamental importance for the demonstration of renewable hydrogen economy sustainability. Three main campus will be implemented: one at Cume Hill, where the majority of renewable hydrogen production will take place using the wind as the primary energy source, a second one at Angra do Heroismo Industrial park, where a cogen electrical – heat power station will be installed, mainly to feed a Municipal Solid Waste processing plant and a third one, the Praia da Vitoria Hydrogenopolis, where several final consumer demonstrators will be installed both for public awareness and intensive study of economic sustainability and optimization. Some of these units are already under construction, particularly the renewable hydrogen generation facilities.

Neutron powder diffraction studies of Hydrogen and Denterium in Palladium Phosphides

International Nuclear Information System (INIS)

Andersson, Y.

1986-01-01

The use of the Rietveld-type profile refinements on neutron powder diffraction intensity data for determining crystallographic positions of hydrogen and deuterium in metal hydrides is illustrated by results obtained on some hydrogenated and deuterated palladium phosphides. The structural features of the solid solutions of hydrogen and deuterium in Pd/sb15/P/sb2/ Pd/sb6/P and Pd/sb3/P/sb1-u/ (0< u<0.28) are briefly presented and discussed

Bio-inspired co-catalysts bonded to a silicon photocathode for solar hydrogen evolution

DEFF Research Database (Denmark)

Hou, Yidong; Abrams, Billie; Vesborg, Peter Christian Kjærgaard

2011-01-01

The production of fuels directly or indirectly from sunlight represents one of the major challenges to the development of a sustainable energy system. Hydrogen is the simplest fuel to produce and while platinum and other noble metals are efficient catalysts for photoelectrochemical hydrogen...... at the reversible potential match the requirement of a photoelectrochemical hydrogen production system with a solar-to-hydrogen efficiency in excess of 10%. The experimental observations are supported by DFT calculations of the Mo3S4 cluster adsorbed on the hydrogen-terminated silicon surface providing insights...... deposited on various supports. It will be demonstrated how this overpotential can be eliminated by depositing the same type of hydrogen evolution catalyst on p-type Si which can harvest the red part of the solar spectrum. Such a system could constitute the cathode part of a tandem dream device where the red...

Effect of hydrogen passivation on polycrystalline silicon thin films

Czech Academy of Sciences Publication Activity Database

Honda, Shinya; Mates, Tomáš; Ledinský, Martin; Oswald, Jiří; Fejfar, Antonín; Kočka, Jan; Yamazaki, T.; Uraoka, Y.; Fuyuki, T.

2005-01-01

Roč. 487, - (2005), s. 152-156 ISSN 0040-6090 R&D Projects: GA AV ČR(CZ) IAA1010316; GA AV ČR(CZ) IAA1010413; GA ČR(CZ) GD202/05/H003 Institutional research plan: CEZ:AV0Z10100521 Keywords : hydrogen passivation * polycrystalline silicon * photoluminescence * Raman spectroscopy * Si-H 2 * hydrogen molecules Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.569, year: 2005

Large Scale Production of Densified Hydrogen Using Integrated Refrigeration and Storage

Science.gov (United States)

Notardonato, William U.; Swanger, Adam Michael; Jumper, Kevin M.; Fesmire, James E.; Tomsik, Thomas M.; Johnson, Wesley L.

2017-01-01

Recent demonstration of advanced liquid hydrogen storage techniques using Integrated Refrigeration and Storage (IRAS) technology at NASA Kennedy Space Center led to the production of large quantities of solid densified liquid and slush hydrogen in a 125,000 L tank. Production of densified hydrogen was performed at three different liquid levels and LH2 temperatures were measured by twenty silicon diode temperature sensors. System energy balances and solid mass fractions are calculated. Experimental data reveal hydrogen temperatures dropped well below the triple point during testing (up to 1 K), and were continuing to trend downward prior to system shutdown. Sub-triple point temperatures were seen to evolve in a time dependent manner along the length of the horizontal, cylindrical vessel. Twenty silicon diode temperature sensors were recorded over approximately one month for testing at two different fill levels (33 67). The phenomenon, observed at both two fill levels, is described and presented detailed and explained herein., and The implications of using IRAS for energy storage, propellant densification, and future cryofuel systems are discussed.

Insulator-metal transition of fluid molecular hydrogen

International Nuclear Information System (INIS)

Ross, M.

1996-01-01

Dynamically compressed fluid hydrogen shows evidence for metallization at the relatively low pressure of 140 GPa (1.4 Mbar) while experiments on solid hydrogen made in a diamond-anvil cell have failed to detect any evidence for gap closure up to a pressure of 230 GPa (2.3 Mbar). Two possible mechanisms for metal- liclike resistivity are put forward. The first is that as a consequence of the large thermal disorder in the fluid (kT∼0.2 endash 0.3 eV) short-range molecular interactions lead to band tailing that extends the band edge into the gap, resulting in closure at a lower pressure than in the solid. The second mechanism argues that molecular dissociation creates H atoms that behave similar to n-type donors in a heavily doped semiconductor and undergo a nonmetal-metal Mott-type transition. copyright 1996 The American Physical Society

The preparation and application of crude cellulase for cellulose-hydrogen production by anaerobic fermentation

Energy Technology Data Exchange (ETDEWEB)

Guo, Yi-Ping; Fan, Yao-Ting; Pan, Chun-Mei; Hou, Hong-Wei [Department of Chemistry, Zhengzhou University, Zhengzhou, Henan 450052 (China); Fan, Shao-Qun [Department of Chemistry, Zhengzhou University, Zhengzhou, Henan 450052 (China); Beijing Alcatel-Lucent R and D Center, Beijing, 100102 (China)

2010-01-15

Strategies were adopted to cost-efficiently produce cellulose-hydrogen by anaerobic fermentation in this paper. First, cellulase used for hydrolyzing cellulose was prepared by solid-state fermentation (SSF) on cheap biomass from Trichoderma viride. Several cultural conditions for cellulase production on cheap biomass such as moisture content, inoculum size and culture time were studied. And the components of solid-state medium were optimized using statistical methods to further improve cellulase capability. Second, the crude cellulase was applied to cellulose-hydrogen process directly. The maximal hydrogen yield of 122 ml/g-TVS was obtained at the substrate concentration of 20 g/L and cultured time of 53 h. The value was about 45-fold than that of raw corn stalk wastes. The hydrogen content in the biogas was 44-57%(v/v) and there was no significant methane gas observed. (author)

Purification of free hydrogen or hydrogen combined in a gaseous mixture by chemical reactions with uranium

International Nuclear Information System (INIS)

Caron-Charles, M.; Gilot, B.

1989-01-01

Within the framework of the European fusion program, the authors are dealing with the tritium technology aspect. Hydrogen, free or under a combined form within a H 2 , N 2 , NH 3 , O 2 , gaseous mixture, can be purified by chemical reactions with uranium metal. The resulting reactions consist in absorbing the impurities without holding back H 2 . Working conditions have been defined according to two main goals: the formation of stable solid products, especially under hydrogenated atmosphere and the optimization of the material quantities to be used. Thermodynamical considerations have shown that the 950-1300 K temperature range should be suitable for this chemical process. Experiments performed with massive uranium set in a closed reactor at 973 K, have produced hydrogen according to the predicted reactions rates. But they have also pointed out the importance of interferences that might occur in the uranium-gas system, on the gases conversion rates. The comparison between the chemical kinetic ratings of the reactions of pure gases and the chemical kinetic ratings of the reactions of the same gases in mixture, has been set up. It proves that simultaneous reactions can modify the working conditions of the solid products formation, and particularly modify their structure. In this case, chemical kinetic ratings are increased up to their maximal value; that means surface phenomena are favoured as with uranium powder gases reactions. (orig.)

Metal (Ag/Ti)-Containing Hydrogenated Amorphous Carbon Nanocomposite Films with Enhanced Nanoscratch Resistance: Hybrid PECVD/PVD System and Microstructural Characteristics.

Science.gov (United States)

Constantinou, Marios; Nikolaou, Petros; Koutsokeras, Loukas; Avgeropoulos, Apostolos; Moschovas, Dimitrios; Varotsis, Constantinos; Patsalas, Panos; Kelires, Pantelis; Constantinides, Georgios

2018-03-30

This study aimed to develop hydrogenated amorphous carbon thin films with embedded metallic nanoparticles (a-C:H:Me) of controlled size and concentration. Towards this end, a novel hybrid deposition system is presented that uses a combination of Plasma Enhanced Chemical Vapor Deposition (PECVD) and Physical Vapor Deposition (PVD) technologies. The a-C:H matrix was deposited through the acceleration of carbon ions generated through a radio-frequency (RF) plasma source by cracking methane, whereas metallic nanoparticles were generated and deposited using terminated gas condensation (TGC) technology. The resulting material was a hydrogenated amorphous carbon film with controlled physical properties and evenly dispersed metallic nanoparticles (here Ag or Ti). The physical, chemical, morphological and mechanical characteristics of the films were investigated through X-ray reflectivity (XRR), Raman spectroscopy, Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM), Transmission Electron Microscopy (TEM) and nanoscratch testing. The resulting amorphous carbon metal nanocomposite films (a-C:H:Ag and a-C:H:Ti) exhibited enhanced nanoscratch resistance (up to +50%) and low values of friction coefficient (<0.05), properties desirable for protective coatings and/or solid lubricant applications. The ability to form nanocomposite structures with tunable coating performance by potentially controlling the carbon bonding, hydrogen content, and the type/size/percent of metallic nanoparticles opens new avenues for a broad range of applications in which mechanical, physical, biological and/or combinatorial properties are required.

Japan's Sunshine Project. 1991 Annual Summary of Hydrogen Energy R and D

Energy Technology Data Exchange (ETDEWEB)

NONE

1992-07-01

In the study of hydrogen production, tests and experiments were conducted concerning electrolysis of water in solid polymer electrolytes and electrolysis of high-temperature steam. In the study of hydrogen storage and transportation, use of metal hydrides for these purposes was tested with attention paid to CaNi{sub 5} degradation and metal element substitution in ZrMn{sub 2}. In the study of hydrogen application, electrodes in hydrogen storage alloy-aided energy conversion were investigated and hydrogen-oxygen combustion systems were experimented. In the study of hydrogen safety, a fracture in a heat affected weld and fatigue crack propagation therein were simulated, and the effect of hydrogen on the episode was investigated. Investigated in the study of a hydrogen-fired turbine were hydrogen combustion, hydrogen-fired power generation thermal efficiency, fuel cost, power generation cost, etc. (NEDO)

Detection of hydrogen dissolved in acrylonitrile butadiene rubber by 1H nuclear magnetic resonance

Science.gov (United States)

Nishimura, Shin; Fujiwara, Hirotada

2012-01-01

Rubber materials, which are used for hydrogen gas seal, can dissolve hydrogen during exposure in high-pressure hydrogen gas. Dissolved hydrogen molecules were detected by solid state 1H NMR of the unfilled vulcanized acrylonitrile butadiene rubber. Two signals were observed at 4.5 ppm and 4.8 ppm, which were assignable to dissolved hydrogen, in the 1H NMR spectrum of NBR after being exposed 100 MPa hydrogen gas for 24 h at room temperature. These signals were shifted from that of gaseous hydrogen molecules. Assignment of the signals was confirmed by quantitative estimation of dissolved hydrogen and peak area of the signals.

Effect of bioleaching on hydrogen-rich gas production by steam gasification of sewage sludge

International Nuclear Information System (INIS)

Li, Hanhui; Chen, Zhihua; Huo, Chan; Hu, Mian; Guo, Dabin; Xiao, Bo

2015-01-01

Highlights: • Bioleaching can modify the physicochemical property of sewage sludge. • The enhancement is mainly hydrogen. • Bioleaching can enhance the gas production in gasification of sewage sludge. • Study provides an insight for future application of bioleached sewage sludge. - Abstract: Effect of bioleaching on hydrogen-rich gas production by steam gasification of sewage sludge was carried out in a lab-scale fixed-bed reactor. The influence of sewage sludge solids concentrations (6–14% (w/v) in 2% increments) during the bioleaching process and reactor temperature (600–900 °C in 100 °C increments) on gasification product yields and gas composition were studied. Characterization of samples showed that bioleaching treatment, especially in 6% (w/v) sludge solids concentration, led to metal removal effectively and modifications in the physicochemical property of sewage sludge which was favored for gasification. The maximum gas yield (49.4%) and hydrogen content (46.4%) were obtained at 6% (w/v) sludge solids concentration and reactor temperature of 900 °C. Sewage sludge after the bioleaching treatment may be a feasible feedstock for hydrogen-rich gas product.

Relating hydrogen-bonding interactions with the phase behavior of naproxen/PVP K 25 solid dispersions: evaluation of solution-cast and quench-cooled films.

Science.gov (United States)

Paudel, Amrit; Nies, Erik; Van den Mooter, Guy

2012-11-05

In this work, we investigated the relationship between various intermolecular hydrogen-bonding (H-bonding) interactions and the miscibility of the model hydrophobic drug naproxen with the hydrophilic polymer polyvinylpyrrolidone (PVP) across an entire composition range of solid dispersions prepared by quasi-equilibrium film casting and nonequilibrium melt quench cooling. The binary phase behavior in solid dispersions exhibited substantial processing method dependence. The solid state solubility of crystalline naproxen in PVP to form amorphous solid dispersions was 35% and 70% w/w naproxen in solution-cast films and quench-cooled films, respectively. However, the presence of a single mixed phase glass transition indicated the amorphous miscibility to be 20% w/w naproxen for the films, beyond which amorphous-amorphous and/or crystalline phase separations were apparent. This was further supported by the solution state interactions data such as PVP globular size distribution and solution infrared spectral profiles. The borderline melt composition showed cooling rate dependence of amorphization. The glass transition and melting point depression profiles of the system were treated with the analytical expressions based on Flory-Huggins mixing theory to interpolate the equilibrium solid solubility. FTIR analysis and subsequent spectral deconvolution revealed composition and miscibility dependent variations in the strength of drug-polymer intermolecular H-bonding. Two types of H-bonded populations were evidenced from 25% w/w and 35% w/w naproxen in solution-cast films and quench-cooled films, respectively, with the higher fraction of strongly H-bonded population in the drug rich domains of phase separated amorphous film compositions and highly drug loaded amorphous quench-cooled dispersions.

Phase equilibria in the niobium-vanadium-hydrogen system

Energy Technology Data Exchange (ETDEWEB)

Bethin, J. (Grumman Aerospace Corp., Bethpage, NY (USA)); Welch, D.O. (Brookhaven National Lab., Upton, NY (USA)); Pick, M.A. (Commission of the European Communities, Abingdon (UK). JET Joint Undertaking)

1990-01-01

The effect of vanadium additions to niobium on the metal-hydrogen phase equilibria has been studied. Measurements of the equilibrium H{sub 2}(D{sub 2}) pressure-composition-temperature isotherms for Nb{sub 1-x}V{sub x} alloys with 0{le}x<0.2 were used to determine the depression of the {alpha} - {alpha}' critical temperature with increasing vanadium concentration. A simple lattice-fluid model guided reduction of the data. Changes in the triple point temperature as well as the shift of the {zeta} {yields} {epsilon} phase transition were determined by differential scanning calorimetry measurements. A rapid overall depression was found, of the order of 7 K (at.% substituted V){sup -1}, for the metal-hydrogen (deuterium) phase boundary structure when compared with the Nb-H system in the hydrogen concentration range of interest. The results explain the enhanced terminal solubility of hydrogen in this system found previously by other authors. The changes in the phase equilibria are discussed in terms of the effect of hydrogen trapping and compared with the results of a cluster-variation calculation for random-field systems of previous authors, taking into account a distribution of H-site energies due to alloying. (author).

Gas storage materials, including hydrogen storage materials

Science.gov (United States)

Mohtadi, Rana F; Wicks, George G; Heung, Leung K; Nakamura, Kenji

2013-02-19

A material for the storage and release of gases comprises a plurality of hollow elements, each hollow element comprising a porous wall enclosing an interior cavity, the interior cavity including structures of a solid-state storage material. In particular examples, the storage material is a hydrogen storage material such as a solid state hydride. An improved method for forming such materials includes the solution diffusion of a storage material solution through a porous wall of a hollow element into an interior cavity.

Hydrogen or formate: Alternative key players in methanogenic degradation.

Science.gov (United States)

Schink, Bernhard; Montag, Dominik; Keller, Anja; Müller, Nicolai

2017-06-01

Hydrogen and formate are important electron carriers in methanogenic degradation in anoxic environments such as sediments, sewage sludge digestors and biogas reactors. Especially in the terminal steps of methanogenesis, they determine the energy budgets of secondary (syntrophically) fermenting bacteria and their methanogenic partners. The literature provides considerable data on hydrogen pool sizes in such habitats, but little data exist for formate concentrations due to technical difficulties in formate determination at low concentration. Recent evidence from biochemical and molecular biological studies indicates that several secondary fermenters can use both hydrogen and formate for electron release, and may do so even simultaneously. Numerous strictly anaerobic bacteria contain enzymes which equilibrate hydrogen and formate pools to energetically equal values, and recent measurements in sewage digestors and biogas reactors indicate that - beyond occasional fluctuations - the pool sizes of hydrogen and formate are indeed energetically nearly equivalent. Nonetheless, a thermophilic archaeon from a submarine hydrothermal vent, Thermococcus onnurineus, can obtain ATP from the conversion of formate to hydrogen plus bicarbonate at 80°C, indicating that at least in this extreme environment the pools of formate and hydrogen are likely to be sufficiently different to support such an unusual type of energy conservation. © 2017 Society for Applied Microbiology and John Wiley & Sons Ltd.

Semiempirical quantum model approach for hydrogen adsorption in ZrNi alloys

Energy Technology Data Exchange (ETDEWEB)

Chen, Bin-Hao, E-mail: binhao17@gmail.com [Department of Energy Application Engineering, Far East University, No. 49, Zhonghua Rd., Xinshi Dist., Tainan City 74448, Taiwan, ROC (China); Huang, Chien-Chung [Department of Hydrogen Energy and Fuel Cells, Green Energy and Eco-Technology Center, ITRI, No. 49, Zhonghua Rd., Xinshi Dist., Tainan City 74448, Taiwan, ROC (China); Yeh, Yen-Lian; Jang, Ming-Jyi [Department of Automation and Control Engineering, Far East University, No. 49, Zhonghua Rd., Xinshi Dist., Tainan City 74448, Taiwan, ROC (China)

2013-12-15

Highlights: •The hydrogen diffusion behavior in solid ZrNi alloy performs clearly by MD. •Shear and Young’s modulus agree with the experiment study very well. •Current model can apply to hydrogen-tech material development. -- Abstract: Hydrogen storage is an important topic because of its relevance to the future energy economy. Hydrogen diffusivity in materials plays an important role in hydrogen technology both for hydrogen separation and hydrogen storage. To clarify the mechanism of the rate-controlling step, diffusion mechanism of hydrogen in metallic materials is studied by molecular dynamics method. This study performs semi-empirical-quantum molecular dynamic simulations in order to clarify hydrogen atom diffusion behavior in ZrNi alloys materials. We investigate the mechanical properties change associated with temperature variation for ZrNi base alloys and also consider the influence of materials micro-structure change of hydrogen diffusion. Finally, current work presents a theoretically prediction of dynamical diffusion coefficient to compare diffusion kinetics of crystalline and amorphous structure.

Hydrogen storage in Ti-Mn-(FeV) BCC alloys

International Nuclear Information System (INIS)

Santos, S.F.; Huot, J.

2009-01-01

Recently, the replacement of vanadium by the less expensive (FeV) commercial alloy has been investigated in Ti-Cr-V BCC solid solutions and promising results were reported. In the present work, this approach of using (FeV) alloys is adopted to synthesize alloys of the Ti-Mn-V system. Compared to the V-containing alloys, the alloys containing (FeV) have a smaller hydrogen storage capacity but a larger reversible hydrogen storage capacity, which is caused by the increase of the plateau pressure of desorption. Correlations between the structure and the hydrogen storage properties of the alloys are also discussed.

STM imaging of buried P atoms in hydrogen-terminated Si for the fabrication of a Si:P quantum computer

Energy Technology Data Exchange (ETDEWEB)

Oberbeck, L.; Curson, N.J.; Hallam, T.; Simmons, M.Y.; Clark, R.G

2004-10-01

The fabrication of atomic-scale devices in silicon requires the encapsulation of dopant atoms which have been incorporated into the silicon surface at atomically precise positions using scanning tunnelling microscopy (STM) lithography. During silicon encapsulation, it is important to minimise segregation and diffusion of dopant atoms in order to retain the lithography defined device structure. Buried dopant imaging using STM is capable of imaging dopant atoms such as phosphorus after encapsulation in silicon several monolayers below the silicon surface, thus making it possible to check the integrity of the device structure. To fabricate buried phosphorus-doped samples, we use phosphine gas as a source of phosphorus atoms and incorporate the phosphorus atoms into a Si(001) surface during an annealing step. Molecular beam epitaxy is used to encapsulate the dopant atoms with several monolayers of silicon. After encapsulation, we hydrogen terminate the silicon surface in order to image the buried phosphorus dopants using STM. We show that a buried phosphorus atom appears as a bright glow superimposed on the silicon dimer structure in empty state STM images, whereas filled state images only show a very faint protrusion in the vicinity of the phosphorus atom. We highlight the importance of our results for the fabrication of atomic-scale devices.

STM imaging of buried P atoms in hydrogen-terminated Si for the fabrication of a Si:P quantum computer

International Nuclear Information System (INIS)

Oberbeck, L.; Curson, N.J.; Hallam, T.; Simmons, M.Y.; Clark, R.G.

2004-01-01

The fabrication of atomic-scale devices in silicon requires the encapsulation of dopant atoms which have been incorporated into the silicon surface at atomically precise positions using scanning tunnelling microscopy (STM) lithography. During silicon encapsulation, it is important to minimise segregation and diffusion of dopant atoms in order to retain the lithography defined device structure. Buried dopant imaging using STM is capable of imaging dopant atoms such as phosphorus after encapsulation in silicon several monolayers below the silicon surface, thus making it possible to check the integrity of the device structure. To fabricate buried phosphorus-doped samples, we use phosphine gas as a source of phosphorus atoms and incorporate the phosphorus atoms into a Si(001) surface during an annealing step. Molecular beam epitaxy is used to encapsulate the dopant atoms with several monolayers of silicon. After encapsulation, we hydrogen terminate the silicon surface in order to image the buried phosphorus dopants using STM. We show that a buried phosphorus atom appears as a bright glow superimposed on the silicon dimer structure in empty state STM images, whereas filled state images only show a very faint protrusion in the vicinity of the phosphorus atom. We highlight the importance of our results for the fabrication of atomic-scale devices

Hydrogen from nuclear power

International Nuclear Information System (INIS)

Miller, A.I.