Hydrogen adsorption and desorption with 3D silicon nanotube-network and film-network structures: Monte Carlo simulations

International Nuclear Information System (INIS)

Li, Ming; Kang, Zhan; Huang, Xiaobo

2015-01-01

Hydrogen is clean, sustainable, and renewable, thus is viewed as promising energy carrier. However, its industrial utilization is greatly hampered by the lack of effective hydrogen storage and release method. Carbon nanotubes (CNTs) were viewed as one of the potential hydrogen containers, but it has been proved that pure CNTs cannot attain the desired target capacity of hydrogen storage. In this paper, we present a numerical study on the material-driven and structure-driven hydrogen adsorption of 3D silicon networks and propose a deformation-driven hydrogen desorption approach based on molecular simulations. Two types of 3D nanostructures, silicon nanotube-network (Si-NN) and silicon film-network (Si-FN), are first investigated in terms of hydrogen adsorption and desorption capacity with grand canonical Monte Carlo simulations. It is revealed that the hydrogen storage capacity is determined by the lithium doping ratio and geometrical parameters, and the maximum hydrogen uptake can be achieved by a 3D nanostructure with optimal configuration and doping ratio obtained through design optimization technique. For hydrogen desorption, a mechanical-deformation-driven-hydrogen-release approach is proposed. Compared with temperature/pressure change-induced hydrogen desorption method, the proposed approach is so effective that nearly complete hydrogen desorption can be achieved by Si-FN nanostructures under sufficient compression but without structural failure observed. The approach is also reversible since the mechanical deformation in Si-FN nanostructures can be elastically recovered, which suggests a good reusability. This study may shed light on the mechanism of hydrogen adsorption and desorption and thus provide useful guidance toward engineering design of microstructural hydrogen (or other gas) adsorption materials

Hydrogen absorption-desorption properties of U2Ti

International Nuclear Information System (INIS)

Yamamoto, Takuya; Tanaka, Satoru; Yamawaki, Michio

1990-01-01

Hydrogen absorption-desorption properties of U 2 Ti intermetallic compound was examined over the temperature range of 298 to 973 K and at hydrogen pressures below 10 5 Pa. It absorbs hydrogen up to 7.6 atoms per F.U. (formula unit) by two step reactions and hence each desorption isotherm is separated into two plateau regions. In the first plateau, a newly-found ternary hydride is formed, where the hydrogen concentration, c H , reaches 2.4 H atoms/F.U. In the second plateau, UH 3 is formed and c H reaches 7.6 H atoms/F.U. The specimen is disintegrated into fine powder in the second plateau, while in the first plateau the ternary hydride which was identified to be UTi 2 H x (x=4.8 to 6.2) showed high durability against powdering. It is predicted that UTi 2 can be suitable material for tritium storage. (orig.)

Desorption of hydrogen from magnesium hydride: in-situ electron diffraction study

International Nuclear Information System (INIS)

Paik, B.; Jones, I.P.; Walton, A.; Mann, V.; Book, D.; Harris, I.R.

2009-01-01

The dynamics of a phase change has been studied where electron beam in Transmission Electron Microscope (TEM) has been used to transform MgH 2 into magnesium. A combination of in-situ Electron Diffraction (ED) and an in-situ Electron Energy Loss Spectroscopy (EELS) study under ED mode describes the phase transformation in terms of, respectively, change in the crystal structure and Plasmon energy shift. The orientation relation [001] MgH2 //[-2110] Mg and (-110) MgH2 //(0001) Mg , obtained from the ED study, has been used to propose a model for the movements of magnesium atoms in the structural change to describe the dynamics of the process. The in-situ EELS study has been compared with the existing H-desorption model. The study aims to describe the sorption dynamics of hydrogen in MgH 2 which is a base material for a number of promising hydrogen storage systems. (author)

Reactive Desorption of CO Hydrogenation Products under Cold Pre-stellar Core Conditions

Science.gov (United States)

Chuang, K.-J.; Fedoseev, G.; Qasim, D.; Ioppolo, S.; van Dishoeck, E. F.; Linnartz, H.

2018-02-01

The astronomical gas-phase detection of simple species and small organic molecules in cold pre-stellar cores, with abundances as high as ∼10‑8–10‑9 n H, contradicts the generally accepted idea that at 10 K, such species should be fully frozen out on grain surfaces. A physical or chemical mechanism that results in a net transfer from solid-state species into the gas phase offers a possible explanation. Reactive desorption, i.e., desorption following the exothermic formation of a species, is one of the options that has been proposed. In astronomical models, the fraction of molecules desorbed through this process is handled as a free parameter, as experimental studies quantifying the impact of exothermicity on desorption efficiencies are largely lacking. In this work, we present a detailed laboratory study with the goal of deriving an upper limit for the reactive desorption efficiency of species involved in the CO–H2CO–CH3OH solid-state hydrogenation reaction chain. The limit for the overall reactive desorption fraction is derived by precisely investigating the solid-state elemental carbon budget, using reflection absorption infrared spectroscopy and the calibrated solid-state band-strength values for CO, H2CO and CH3OH. We find that for temperatures in the range of 10 to 14 K, an upper limit of 0.24 ± 0.02 for the overall elemental carbon loss upon CO conversion into CH3OH. This corresponds with an effective reaction desorption fraction of ≤0.07 per hydrogenation step, or ≤0.02 per H-atom induced reaction, assuming that H-atom addition and abstraction reactions equally contribute to the overall reactive desorption fraction along the hydrogenation sequence. The astronomical relevance of this finding is discussed.

Catalitic effect of Co on hydrogen desorption form nanostucturated magnesium hydride

Directory of Open Access Journals (Sweden)

Matović Ljiljana Lj.

2008-01-01

Full Text Available To study the influence of 3d transition metal addition on desorption kinetics of MgH2 ball milling of MgH2-Co blends was performed under Ar. Microstructural and morphological characterization, performed by XRD and SEM, show a huge correlation with thermal stability and hydrogen desorption properties investigated by DSC. A complex desorption behavior is correlated with the dispersion of the metal additive particles on hydride matrix. The activation energy for H2 desorption from MgH2-Co composite was calculated from both non-isothermal and isothermal methods to be 130 kJ/mol which means that mutually diffusion and nucleation and growth of new phase control the dehydration process.

Hydrogen desorption properties of MgH2–Ni–Ni2Si composites prepared by mechanochemical method

International Nuclear Information System (INIS)

Shimada, Motoki; Higuchi, Eiji; Inoue, Hiroshi

2013-01-01

Highlights: ► The MgH 2 –Ni composite showed fast hydrogen desorption rate at 250 °C. ► The MgH 2 –Ni–Ni 2 Si composite showed fast hydrogen desorption rate at 220 °C. ► Nanocrystalline Mg 2 Ni and Mg 2 Si were formed between Mg and adjacent Ni or Si. ► Ni 2 Si did not form any alloys and work as a catalyst. -- Abstract: To improve hydrogen desorbability of Mg, some composites were prepared from MgH 2 , Ni and Ni 2 Si mixed powders by the mechanochemical method. The MgH 2 –Ni(2 mol%)–Ni 2 Si(1 mol%) composite was slower in hydrogen desorption rate at 250 °C than the MgH 2 –Ni(2 mol%) composite, while the hydrogen desorption rate at 220 °C for the former was faster than that for the latter. The XRD pattern of the MgH 2 –Ni(2 mol%) composite showed that after hydrogen desorption at 400 °C small diffraction peaks assigned to Mg 2 Ni were observed with peaks assigned to Mg. They shifted to smaller angles after hydrogen absorption at 250 °C and come back to the original positions after hydrogen desorption at 250 °C, suggesting reversible hydrogen absorption/desorption of Mg 2 Ni. In contrast, Ni 2 Si was not changed over the whole processes. These results indicated that Ni 2 Si worked as a catalyst for hydrogen desorption, leading to the improvement of desorbability at 220 °C

Thermal desorption spectroscopy for investigating hydrogen isotope behavior in materials

International Nuclear Information System (INIS)

Xia Tirui; Yang Hongguang; Zhan Qin; Han Zhibo; He Changshui

2012-01-01

The behavior of hydrogen isotope generated in fusion reactor materials is the key issue for safety and economic operation of fusion reactors and becomes an interesting field. In order to investigate the mechanism of hydrogen isotope such as diffusion, release and retention, a high-sensitivity thermal desorption spectroscopy (TDS) in combination with a quadruple mass spectrometer (QMS) was developed. A major technical breakthrough in ultrahigh vacuum (UHV), low hydrogen background, linear heating and sensitivity calibration of TDS system was made. UHV of l × 10 -7 Pa and low hydrogen background of l × 10 -9 Pa were obtained by combining turbo molecule pump and sputter ion pump. Specimens can be linearly heated up to 1173 K at the rate of 1 to 50 K/min under the MCGS PID software. Sensitivity calibration of the TDS system was accomplished using a special deuterium leak in the detector mode of QMS second electron multiplier. The desorption sensitivity coefficient and the minimum detection limit of deuterium desorption rate are 6.22 × l0 24 s -l · and l.24 × l0 -10 s -1 , respectively. The measurement was also routinely conducted on a specimen of standard, deuterium-containing Zr-4 alloy maintained in the laboratory, so as to validate the TDS method. (authors)

Studies of hydrogen absorption and desorption processes in advanced intermetallic hydrides

Energy Technology Data Exchange (ETDEWEB)

Sato, Masashi

2005-07-01

This work is a part of the research program performed in the Department of Energy Systems, Institute for Energy Technology (Kjeller, Norway), which is focused on the development of the advanced hydrogen storage materials. The activities are aimed on studies of the mechanisms of hydrogen interactions with intermetallic alloys with focus on establishing an interrelation between the crystal structure, thermodynamics and kinetics of the processes in the metal-hydrogen systems, on the one hand, and hydrogen storage properties (capacity, rates of desorption, hysteresis). Many of the materials under investigation have potential to be applied in applications, whereas some already have been commercialised in the world market. A number of metals take up considerable amounts of hydrogen and form chemical compounds with H, metal hydrides. Unfortunately, binary hydrides are either very stable (e.g. for the rare earth metals [RE], Zr, Ti, Mg: metal R) or are formed at very high applied pressures of hydrogen gas (e.g. for the transition metals, Ni, Co, Fe, etc.: Metal T). However, hydrogenation process becomes easily reversible at very convenient from practical point of view conditions, around room temperature and at H2 pressures below 1 MPa for the two-component intermetallic alloys R{sub x}T{sub y}. This raised and maintains further interest to the intermetallic hydrides as solid H storage materials. Materials science research of this thesis is focused on studies of the reasons staying behind the beneficial effect of two non-transition elements M(i.e., In and Sn) contributing to the formation of the ternary intermetallic alloys R{sub x}T{sub y}M{sub 2}., on the hydrogen storage behaviours. Particular focus is on two aspects where the remarkable improvement of ordinary metal hydrides is achieved via introduction of In and Sn: a) Increase of the volume density of stored hydrogen in solid materials to the record high level. b) Improvement of the kinetics of hydrogen charge and

Laser induced desorption as hydrogen retention diagnostic method

Energy Technology Data Exchange (ETDEWEB)

Zlobinski, Miroslaw

2016-07-15

Laser Induced Desorption Spectroscopy (LIDS) is a diagnostic method to measure the hydrogen content in the surface of a material exposed to a hydrogen isotope (H,D,T) plasma. It is developed mainly to monitor hydrogen retention in the walls of magnetic fusion devices that have to limit the amount of their fuel tritium mainly due to safety reasons. The development of fusion increasingly focusses on plasma-wall interactions for which in situ diagnostics like LIDS are required that work during plasma operation and without tile removal. The method has first been developed for thin amorphous hydrocarbon (a-C:H < 500 nm) layers successfully and is studied in the present work on thick (15 μm) layers, carbon fibre composites (CFCs), bulk tungsten (W), W fuzz and mixed C/W materials. In LID a 3 ms Nd:YAG (1064 nm) laser pulse heats a spot of diameter 3 mm with 500 {sup MW}/{sub m{sup 2}} on W to 1800 K at the surface and thus above 1300 K within ca. 0.2 mm depth. On C materials (graphite, CFC, a-C:H) this temperature guarantees a nearly complete (>95%) desorption already within 1.5 ms pulse duration. The retained hydrogen atoms are desorbed locally, recombine to molecules and migrate promptly to the surface via internal channels like pores and grain boundaries. Whereas, in W the retained hydrogen atoms have to diffuse through the bulk material, which is a relatively slow process also directed into the depth. The desorbed hydrogen fraction can thus be strongly reduced to 18-91% as observed here. This fraction is measured by melting the central part of a previously heated spot ca. 40 μm deep with a diameter 2 mm, 3 ms laser pulse, releasing the remaining hydrogen. W samples exposed to different plasmas in TEXTOR, Pilot-PSI, PSI-2, PADOS and PlaQ show that the desorption fraction of LID mainly decreases due to higher sample temperature during plasma exposure. The heat causes deeper hydrogen diffusion and/or stronger hydrogen trapping due to creation of traps with higher

Laser induced desorption as hydrogen retention diagnostic method

International Nuclear Information System (INIS)

Zlobinski, Miroslaw

2016-01-01

Laser Induced Desorption Spectroscopy (LIDS) is a diagnostic method to measure the hydrogen content in the surface of a material exposed to a hydrogen isotope (H,D,T) plasma. It is developed mainly to monitor hydrogen retention in the walls of magnetic fusion devices that have to limit the amount of their fuel tritium mainly due to safety reasons. The development of fusion increasingly focusses on plasma-wall interactions for which in situ diagnostics like LIDS are required that work during plasma operation and without tile removal. The method has first been developed for thin amorphous hydrocarbon (a-C:H < 500 nm) layers successfully and is studied in the present work on thick (15 μm) layers, carbon fibre composites (CFCs), bulk tungsten (W), W fuzz and mixed C/W materials. In LID a 3 ms Nd:YAG (1064 nm) laser pulse heats a spot of diameter 3 mm with 500 MW / m 2 on W to 1800 K at the surface and thus above 1300 K within ca. 0.2 mm depth. On C materials (graphite, CFC, a-C:H) this temperature guarantees a nearly complete (>95%) desorption already within 1.5 ms pulse duration. The retained hydrogen atoms are desorbed locally, recombine to molecules and migrate promptly to the surface via internal channels like pores and grain boundaries. Whereas, in W the retained hydrogen atoms have to diffuse through the bulk material, which is a relatively slow process also directed into the depth. The desorbed hydrogen fraction can thus be strongly reduced to 18-91% as observed here. This fraction is measured by melting the central part of a previously heated spot ca. 40 μm deep with a diameter 2 mm, 3 ms laser pulse, releasing the remaining hydrogen. W samples exposed to different plasmas in TEXTOR, Pilot-PSI, PSI-2, PADOS and PlaQ show that the desorption fraction of LID mainly decreases due to higher sample temperature during plasma exposure. The heat causes deeper hydrogen diffusion and/or stronger hydrogen trapping due to creation of traps with higher binding energy

Searching out the hydrogen absorption/desorption limiting reaction factors: Strategies allowing to increase kinetics

Energy Technology Data Exchange (ETDEWEB)

Zeaiter, Ali, E-mail: ali.zeaiter@femto-st.fr; Chapelle, David; Nardin, Philippe

2015-10-05

Highlights: • A macro scale thermodynamic model that simulates the response of a FeTi-X hydride tank is performed, and validated experimentally. • A sensibility study to identify the most influent input variables that can changes very largely the reaction rate. - Abstract: Hydrogen gas has become one of the most promising energy carriers. Main breakthrough concerns hydrogen solid storage, specially based on intermetallic material use. Regarding the raw material abundance and cost, the AB type alloy FeTi is an auspicious candidate to store hydrogen. Its absorption/desorption kinetics is a basic hindrance to common use, compared with more usual hydrides. First, discussions based on literature help us identifying the successive steps leading to metal hydriding, and allow to introduce the physical parameters which drive or limit the reaction. This analysis leads us to suggest strategies in order to increase absorption/desorption kinetics. Attention is then paid to a thermofluidodynamic model, allowing to describe a macroscopic solid storage reactor. Thus, we can achieve a simulation which describes the overall reaction inside the hydrogen reactor and, by varying the sub-mentioned parameters (thermal conductivity, the powder granularity, environment heat exchange…), we attempt to hierarchy the reaction limiting factors. These simulations are correlated to absorption/desorption experiments for which pressure, temperature and hydrogen flow are recorded.

A study on metal organic framework (MOF-177) synthesis, characterization and hydrogen adsorption -desorption cycles

Energy Technology Data Exchange (ETDEWEB)

Viditha, V.; Venkateswer Rao, M.; Srilatha, K.; Himabindu, V. [Centre for Environment, Institute of Science and Technology, Jawaharlal Nehru Technological University Hyderabad, Kukatpally, Hyderabad-500 085, A.P. (India); Yerramilli, Anjaneyulu [Director, TLGVRC, JSU Box 18739, JSU, Jackson, MS 32917-0939 (United States)

2013-07-01

Hydrogen has long been considered to be an ideal alternative to fossil-fuel systems and much work has now been done on its storage. There are four main methods of hydrogen storage: as a liquid; as compressed hydrogen; in the form of metal hydrides; and by physisorption. Among all the materials metal organic frameworks (MOFs) are considered to have desirable properties like high porosity, pore volume and high thermal stability. MOF-177 is considered to be an ideal storage material. In this paper we study about its synthesis and hydrogen storage capacities of MOF-177 at different pressures ranging from 25, 50, 75 and 100 bar respectively. The obtained samples are characterized by XRD, BET and SEM. The recorded results show that the obtained hydrogen capacity is 1.1, 2.20, 2.4 and 2.80 wt%. The desorption capacity is 0.9, 2.1, 2.37 and 2.7 wt% at certain temperatures like 373 K.

Temperature suppression of STM-induced desorption of hydrogen on Si(100) surfaces

DEFF Research Database (Denmark)

Thirstrup, C.; Sakurai, M.; Nakayama, T.

1999-01-01

The temperature dependence of hydrogen (H) desorption from Si(100) H-terminated surfaces by a scanning tunneling microscope (STM) is reported for negative sample bias. It is found that the STM induced H desorption rate (R) decreases several orders of magnitude when the substrate temperature...

Development of a kinetic model of hydrogen absorption and desorption in magnesium and analysis of the rate-determining step

Science.gov (United States)

Kitagawa, Yuta; Tanabe, Katsuaki

2018-05-01

Mg is promising as a new light-weight and low-cost hydrogen-storage material. We construct a numerical model to represent the hydrogen dynamics on Mg, comprising dissociative adsorption, desorption, bulk diffusion, and chemical reaction. Our calculation shows a good agreement with experimental data for hydrogen absorption and desorption on Mg. Our model clarifies the evolution of the rate-determining processes as absorption and desorption proceed. Furthermore, we investigate the optimal condition and materials design for efficient hydrogen storage in Mg. By properly understanding the rate-determining processes using our model, one can determine the design principle for high-performance hydrogen-storage systems.

Analysis of the technique Thermal Desorption Spectroscopy (TDS) and its Application for the Characterization of Metal -Hydrogen Systems

International Nuclear Information System (INIS)

Castro, F.J.

2000-01-01

We present the theoretical and experimental developments made to study the desorption of hydrogen from metallic samples by Thermal Desorption Spectroscopy (TDS). With this technique gas desorption is stimulated by the programmed heating of the sample. To perform the study we set up a newly designed equipment and develop theoretical models of the kinetic processes involved. The equipment and the models are used to analyze the desorption process in a real system. We begin by analyzing the models developed to interpret the results of the experiments. These models consider simultaneously bulk diffusion and surface reaction processes in metal-hydrogen systems with one or two thermodynamic phases. We present numerical results, computer simulations and analytical approximations of the original models. Based on these results we analyze the main features of the spectra for the different relevant kinetic processes, and determine the changes induced in them when material parameters (activation energies, geometry) or experimental parameters (heating speed, initial concentration) are modified.We present the original equipment, designed and constructed during this work to perform the TDS experiments. We describe its main characteristics, its components, its range of operation and its sensibility. We also offer an analysis of the background spectrum. We use the Pd-H system to test the equipment and the models. The samples chosen, powders, granules, foils and wires, were previously characterized to analyze their composition, their morphology and their characteristic size. We show the results of Scanning Electron Microscopy (SEM) observation, X ray diffraction (XRD) and Auger Electron Spectroscopy (AES) analysis.We then present and analyze in depth the experimental desorption spectra of the palladium powder. Based on the analysis we determine the rate limiting step for desorption and the characteristic activation energies. When the system is on the b phase (hydride) the rate

Effect of long-term hydrogen absorption/desorption cycling on hydrogen storage properties of MmNi3.55Co0.75Mn0.4Al0.3

International Nuclear Information System (INIS)

Li, S.L.; Chen, W.; Chen, D.M.; Yang, K.

2009-01-01

The effect of a long-term hydrogen absorption/desorption cycling up to 2000 cycles on the hydrogen storage properties of MmNi 3.55 Co 0.75 Mn 0.4 Al 0.3 alloy was investigated. The pressure-composition (PC) isotherms for absorption/desorption and absorption kinetics were measured at 338 K, 353 K and 368 K both after initial activation and 2000 cycles. X-ray diffraction analysis revealed that the alloy had a homogeneous hexagonal CaCu 5 type structure and kept this structure even after 2000 hydrogen absorption/desorption cycles. It is found that the absorption/desorption plateau pressures were lowered, the storage capacity and the absorption kinetics were slightly degraded and the hysteresis loss was increased at all the investigated temperatures after 2000 cycles. It is also found that the particle size after 2000 cycles was much smaller compared to that after initial activation. The change of the hydrogen absorption/desorption properties of the alloy after 2000 cycles has been explained by considering the crystal structure, disproportionation property, pulverization of the sample and the impurities in the charging hydrogen employed in cycling

Property changes of some hydrogen storage alloys upon hydrogen absorption-desorption cycling

International Nuclear Information System (INIS)

Park, C.N.; Cho, S.W.; Choi, J.

2005-01-01

Hydrogen absorption-desorption cycling induced by pressure change in a closed system were carried out with LaNi 5 , La 0.7 Ce 0.3 Ni 4 Cu and TiFe 0.9 Ni 0.1 alloys. PC isotherms measured during the cycling showed some changes in hydrogen storage capacity, plateau pressure and hysteresis of the alloys. The half capacity life of LaNi 5 alloy can be projected as 70,000 cycles for room temperature pressure cycling. When La 0.7 Ce 0.3 Ni 4 Cu alloy was pressure cycled both of the plateau pressures were decreased significantly and continuously. TiFe 0.9 Ni 0.1 alloy showed a good resistance to cyclic degradation. Heat treatments of the degraded alloys under 1 atm of hydrogen gas recovered most of the hydrogen storage properties to the initial level even though they were degraded again more rapidly upon subsequent cycling. (orig.)

Adsorption and temperature-programmed desorption of hydrogen with dispersed platinum and platinum-gold catalysts

Energy Technology Data Exchange (ETDEWEB)

Anderson, J.R.; Foger, K.; Breakspere, R.J.

1979-05-01

Adsorption and temperature-programmed desorption of hydrogen with dispersed platinum and platinum-gold catalysts was studied with 0.9-3Vertical Bar3< platinum on silica gel, aerosil, sodium and lanthanum Y zeolites, and ..gamma..-alumina, and on aerosil-supported gold-platinum alloys containing 2, 10, 24, 33, and 85Vertical Bar3< gold. Surface enrichment with gold in the alloy systems, as derived from hydrogen adsorption data and predicted from surface enrichment theory and electron microscopic measurements of particle size, were in good agreement, which indicated that equilibrium was achieved by the thermal treatment (oxygen at 573/sup 0/K, hydrogen at 620/sup 0/K, repeated cycles) used. Hydrogen spillover to gold was observed at the higher hydrogen pressures tested on the alloys with high gold content, and to the zeolite supports. The temperature-programed desorption profiles were independent of gold content, which indicated that gold acts only as diluent, and that isolated surface platinum atoms become populated with hydrogen atoms either by hydrogen atom spillover from platinum ensembles to gold and from the gold to the isolated platinum, and/or by adsorption of a molecule directly on the isolated platinum and chemisorption of one H atom at an adjacent gold atom. The distribution of surface platinum ensembles was evaluated by a computer simulation method.

Fundamental study of hydrogen-attachment-induced peptide fragmentation occurring in the gas phase and during the matrix-assisted laser desorption/ionization process.

Science.gov (United States)

Asakawa, Daiki; Takahashi, Hidenori; Iwamoto, Shinichi; Tanaka, Koichi

2018-05-09

Mass spectrometry with hydrogen-radical-mediated fragmentation techniques has been used for the sequencing of proteins/peptides. The two methods, matrix-assisted laser desorption/ionization in-source decay (MALDI-ISD) and hydrogen attachment/abstraction dissociation (HAD) are known as hydrogen-radical-mediated fragmentation techniques. MALDI-ISD occurs during laser induced desorption processes, whereas HAD utilizes the association of hydrogen with peptide ions in the gas phase. In this study, the general mechanisms of MALDI-ISD and HAD of peptides were investigated. We demonstrated the fragmentation of four model peptides and investigated the fragment formation pathways using density functional theory (DFT) calculations. The current experimental and computational joint study indicated that MALDI-ISD and HAD produce aminoketyl radical intermediates, which immediately undergo radical-induced cleavage at the N-Cα bond located on the C-terminal side of the radical site, leading to the c'/z˙ fragment pair. In the case of MALDI-ISD, the z˙ fragments undergo a subsequent reaction with the matrix to give z' and matrix adducts of the z fragments. In contrast, the c' and z˙ fragments react with hydrogen atoms during the HAD processes, and various fragment species, such as c˙, c', z˙ and z', were observed in the HAD-MS/MS mass spectra.

Statistical physics modeling of hydrogen desorption from LaNi{sub 4.75}Fe{sub 0.25}: Stereographic and energetic interpretations

Energy Technology Data Exchange (ETDEWEB)

Wjihi, Sarra [Unité de Recherche de Physique Quantique, 11 ES 54, Faculté des Science de Monastir (Tunisia); Dhaou, Houcine [Laboratoire des Etudes des Systèmes Thermiques et Energétiques (LESTE), ENIM, Route de Kairouan, 5019 Monastir (Tunisia); Yahia, Manel Ben; Knani, Salah [Unité de Recherche de Physique Quantique, 11 ES 54, Faculté des Science de Monastir (Tunisia); Jemni, Abdelmajid [Laboratoire des Etudes des Systèmes Thermiques et Energétiques (LESTE), ENIM, Route de Kairouan, 5019 Monastir (Tunisia); Lamine, Abdelmottaleb Ben, E-mail: abdelmottaleb.benlamine@gmail.com [Unité de Recherche de Physique Quantique, 11 ES 54, Faculté des Science de Monastir (Tunisia)

2015-12-15

Statistical physics treatment is used to study the desorption of hydrogen on LaNi{sub 4.75}Fe{sub 0.25}, in order to obtain new physicochemical interpretations at the molecular level. Experimental desorption isotherms of hydrogen on LaNi{sub 4.75}Fe{sub 0.25} are fitted at three temperatures (293 K, 303 K and 313 K), using a monolayer desorption model. Six parameters of the model are fitted, namely the number of molecules per site n{sub α} and n{sub β}, the receptor site densities N{sub αM} and N{sub βM}, and the energetic parameters P{sub α} and P{sub β}. The behaviors of these parameters are discussed in relationship with desorption process. A dynamic study of the α and β phases in the desorption process was then carried out. Finally, the different thermodynamical potential functions are derived by statistical physics calculations from our adopted model.

Thermal desorption of hydrogen from Mg2Ni hydrogen storage materials.

Science.gov (United States)

Hur, Tae Hong; Han, Jeong Seb; Kim, Jin Ho; Kim, Byung Kwan

2011-07-01

In order to investigate the influence of HCS on the hydrogen occupation site of Mg2Ni alloy, the thermal desorption technique has been applied to Mg2Ni hydride made by hydriding combustion synthesis (HCS). Mg2Ni was made under low temperature in a short time by the HCS compared to conventional melting process. At various initial hydride wt% from 0.91 to 3.52, the sample was heated to 623 K at a rate of 1.0 K/min. The starting temperature of the evolution of hydrogen goes higher as the initial hydride wt% increases. Only one peak is shown in the case of the small initial hydride wt%. But two peaks appeared with increasing initial hydride wt%. The activation energies obtained by the first and second peaks are 113.0 and 99.5 kJ/mol respectively. The two site occupation model by Darriet et al. was proved. The influence of HCS on the hydrogen occupation site of Mg2Ni alloy is nonexistent.

Desorption process of hydrogen starting from the Mg2NiH4 and Mg2NiH0.3

International Nuclear Information System (INIS)

Iturbe G, J.L.; Basurto S, R.; Lopez M, B.E.

2002-01-01

In this work the desorption velocity of H 2 was determined starting from the magnesium nickel hydride once the reaction between the intermetallic and the hydrogen was realized, the compound were analysed by means of a thermogravimetric equipment, the conditions for carrying out the analysis were: 10 C by minute in nitrogen atmosphere at a volume of 50 ml by minute, subsequently the isotherms at different times were programmed and the desorption velocity of hydrogen was determined. The results show that the desorption velocity of hydrogen depends of the temperature, using only the nitrogen flux which acts as a carrier gas. Observing that the hydrogen liberation is carried out by means of two mechanisms according to the isotherms obtained. (Author)

Preparation and Hydrogen Absorption/Desorption of Nanoporous Palladium Thin Films

Directory of Open Access Journals (Sweden)

Wen-Chung Li

2009-12-01

Full Text Available Nanoporous Pd (np-Pd was prepared by co-sputtering Pd-Ni alloy films onto Si substrates, followed by chemical dealloying with sulfuric acid. X-ray diffractometry and chemical analysis were used to track the extent of dealloying. The np-Pd structure was changed from particle-like to sponge-like by diluting the sulfuric acid etchant. Using suitable precursor alloy composition and dealloying conditions, np-Pd films were prepared with uniform and open sponge-like structures, with interconnected ligaments and no cracks, yielding a large amount of surface area for reactions with hydrogen. Np-Pd films exhibited shorter response time for hydrogen absorption/desorption than dense Pd films, showing promise for hydrogen sensing.

Measurement of hydrogen solubility and desorption rate in V-4Cr-4Ti and liquid lithium-calcium alloys

Energy Technology Data Exchange (ETDEWEB)

Park, J.H.; Erck, R.; Park, E.T. [Argonne National Lab., IL (United States)] [and others

1997-04-01

Hydrogen solubility in V-4Cr-4Ti and liquid lithium-calcium was measured at a hydrogen pressure of 9.09 x 10{sup {minus}4} torr at temperatures between 250 and 700{degrees}C. Hydrogen solubility in V-4Cr-4Ti and liquid lithium decreased with temperature. The measured desorption rate of hydrogen in V-4Cr-4Ti is a thermally activated process; the activation energy is 0.067 eV. Oxygen-charged V-4Cr-4Ti specimens were also investigated to determine the effect of oxygen impurity on hydrogen solubility and desorption in the alloy. Oxygen in V-4Cr-4Ti increases hydrogen solubility and desorption kinetics. To determine the effect of a calcium oxide insulator coating on V-4Cr-4Ti, hydrogen solubility in lithium-calcium alloys that contained 0-8.0 percent calcium was also measured. The distribution ratio R of hydrogen between liquid lithium or lithium-calcium and V-4Cr-4Ti increased as temperature decreased (R {approx} 10 and 100 at 700 and 250{degrees}C, respectively). However at <267{degrees}C, solubility data could not be obtained by this method because of the slow kinetics of hydrogen permeation through the vanadium alloy.

Measurement of hydrogen solubility and desorption rate in V-4Cr-4Ti and liquid lithium-calcium alloys

International Nuclear Information System (INIS)

Park, J.H.; Erck, R.; Park, E.T.

1997-01-01

Hydrogen solubility in V-4Cr-4Ti and liquid lithium-calcium was measured at a hydrogen pressure of 9.09 x 10 -4 torr at temperatures between 250 and 700 degrees C. Hydrogen solubility in V-4Cr-4Ti and liquid lithium decreased with temperature. The measured desorption rate of hydrogen in V-4Cr-4Ti is a thermally activated process; the activation energy is 0.067 eV. Oxygen-charged V-4Cr-4Ti specimens were also investigated to determine the effect of oxygen impurity on hydrogen solubility and desorption in the alloy. Oxygen in V-4Cr-4Ti increases hydrogen solubility and desorption kinetics. To determine the effect of a calcium oxide insulator coating on V-4Cr-4Ti, hydrogen solubility in lithium-calcium alloys that contained 0-8.0 percent calcium was also measured. The distribution ratio R of hydrogen between liquid lithium or lithium-calcium and V-4Cr-4Ti increased as temperature decreased (R ∼ 10 and 100 at 700 and 250 degrees C, respectively). However at <267 degrees C, solubility data could not be obtained by this method because of the slow kinetics of hydrogen permeation through the vanadium alloy

Changes of structural and hydrogen desorption properties of MgH2 indused by ion irradiation

Directory of Open Access Journals (Sweden)

Kurko Sandra V.

2010-01-01

Full Text Available Changes in structural and hydrogen desorption properties of MgH2 induced by ion irradiation have been investigated. MgH2 powder samples have been irradiated with 45 keV B3+ and 120 keV Ar8+ions, with ion fluence of 1015 ions/cm2. The effects of ion irradiation are estimated by numerical calculations using SRIM package. The induced material modifications and their consequences on hydrogen dynamics in the system are investigated by XRD, particle size distribution and TPD techniques. Changes of TPD spectra with irradiation conditions suggest that there are several mechanisms involved in desorption process which depend on defect concentration and their interaction and ordering. The results confirmed that the near-surface area of MgH2 and formation of a substoichiometric MgHx (x<2 play a crucial role in hydrogen kinetics and that various concentrations of induced defects substantially influence H diffusion and desorption kinetics in MgH2. The results also confirm that there is possibility to control the thermodynamic parameters by controlling vacancies concentration in the system.

Hydrogen spillover phenomenon: Enhanced reversible hydrogen adsorption/desorption at Ta{sub 2}O{sub 5}-coated Pt electrode in acidic media

Energy Technology Data Exchange (ETDEWEB)

Sata, Shunsuke [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259-G1-5 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Awad, Mohamed I.; El-Deab, Mohamed S. [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259-G1-5 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Department of Chemistry, Faculty of Science, Cairo University, Cairo (Egypt); Okajima, Takeyoshi [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259-G1-5 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Ohsaka, Takeo, E-mail: ohsaka@echem.titech.ac.j [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259-G1-5 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan)

2010-04-01

The current study is concerned with the preparation and characterization of tantalum oxide-loaded Pt (TaO{sub x}/Pt) electrodes for hydrogen spillover application. XPS, SEM, EDX and XRD techniques are used to characterize the TaO{sub x}/Pt surfaces. TaO{sub x}/Pt electrodes were prepared by galvanostatic electrodeposition of Ta on Pt from LiF-NaF (60:40 mol%) molten salts containing K{sub 2}TaF{sub 7} (20 wt%) at 800 deg. C and then by annealing in air at various temperatures (200, 400 and 600 deg. C). The thus-fabricated TaO{sub x}/Pt electrodes were compared with the non-annealed Ta/Pt and the unmodified Pt electrodes for the hydrogen adsorption/desorption (H{sub ads}/H{sub des}) reaction. The oxidation of Ta to the stoichiometric oxide (Ta{sub 2}O{sub 5}) increases with increasing the annealing temperature as revealed from XPS and X-ray diffraction (XRD) measurements. The higher the annealing temperature the larger is the enhancement in the H{sub ads}/H{sub des} reaction at TaO{sub x}/Pt electrode. The extraordinary increase in the hydrogen adsorption/desorption at the electrode annealed at 600 deg. C is explained on the basis of a hydrogen spillover-reverse spillover mechanism. The hydrogen adsorption at the TaO{sub x}/Pt electrode is a diffusion-controlled process.

Improved hydrogen absorption and desorption kinetics of magnesium-based alloy via addition of yttrium

Science.gov (United States)

Yang, Tai; Li, Qiang; Liu, Ning; Liang, Chunyong; Yin, Fuxing; Zhang, Yanghuan

2018-02-01

Yttrium (Y) is selected to modify the microstructure of magnesium (Mg) to improve the hydrogen storage performance. Thereby, binary alloys with the nominal compositions of Mg24Yx (x = 1-5) are fabricated by inexpensive casting technique. Their microstructure and phase transformation during hydriding and dehydriding process are characterized by using X-ray diffraction, scanning electron microscopy, and high-resolution transmission electron microscopy analysis. The isothermal hydrogen absorption and desorption kinetics are also measured by a Sievert's-type apparatus at various temperatures. Typical multiphase structures of binary alloy can be clearly observed. All of these alloys can reversibly absorb and desorb large amount of hydrogen at proper temperatures. The addition of Y markedly promotes the hydrogen absorption kinetics. However, it results in a reduction of reversible hydrogen storage capacity. A maximum value of dehydrogenation rate is observed with the increase of Y content. The Mg24Y3 alloy has the optimal desorption kinetic performance, and it can desorb about 5.4 wt% of hydrogen at 380 °C within 12 min. Combining Johnson-Mehl-Avrami kinetic model and Arrhenius equation, the dehydrogenation activation energy of the alloys are evaluated. The Mg24Y3 alloy also has the lowest dehydrogenation activation energy (119 kJ mol-1).

Molecular Beam-Thermal Desorption Spectrometry (MB-TDS) Monitoring of Hydrogen Desorbed from Storage Fuel Cell Anodes.

Science.gov (United States)

Lobo, Rui F M; Santos, Diogo M F; Sequeira, Cesar A C; Ribeiro, Jorge H F

2012-02-06

Different types of experimental studies are performed using the hydrogen storage alloy (HSA) MlNi 3.6 Co 0.85 Al 0.3 Mn 0.3 (Ml: La-rich mischmetal), chemically surface treated, as the anode active material for application in a proton exchange membrane fuel cell (PEMFC). The recently developed molecular beam-thermal desorption spectrometry (MB-TDS) technique is here reported for detecting the electrochemical hydrogen uptake and release by the treated HSA. The MB-TDS allows an accurate determination of the hydrogen mass absorbed into the hydrogen storage alloy (HSA), and has significant advantages in comparison with the conventional TDS method. Experimental data has revealed that the membrane electrode assembly (MEA) using such chemically treated alloy presents an enhanced surface capability for hydrogen adsorption.

Analysis of hydrogen distribution on Mg-Ni alloy surface by scanning electron-stimulated desorption ion microscope (SESDIM)

International Nuclear Information System (INIS)

Yamaga, Atsushi; Hibino, Kiyohide; Suzuki, Masanori; Yamada, Masaaki; Tanaka, Kazuhide; Ueda, Kazuyuki

2008-01-01

Hydrogen distribution and behavior on a Mg-Ni alloy surface are studied by using a time-of-flight electron-stimulated desorption (TOF-ESD) microscopy and a scanning electron microscope with energy dispersive X-ray spectroscopy (SEM-EDX). The desorbed hydrogen ions are energy-discriminated and distinguished into two characters in the adsorbed states, which belong to Mg 2 Ni grains and the other to oxygen-contaminated Mg phase at the grain boundaries. Adsorbed hydrogen is found to be stable up to 150 deg. C, but becomes thermally unstable around at 200 deg. C

The kinetics of hydrogen absorption/desorption within nanostructured composite Ni79.1Co18.6Cu2.3 alloy using resistometry

International Nuclear Information System (INIS)

Spasojević, M.; Maričić, A.; Ribić Zelenović, L.; Krstajić, N.; Spasojević, P.

2013-01-01

Highlights: ► Nanostructured Ni 79.1 Co 18.6 Cu 2.3 powder was obtained by electrochemical deposition. ► Correlation observed between electrical conductivity and absorbed hydrogen amount. ► Hydrogen absorption/desorption mechanism was determined. - Abstract: Ni 79.1 Co 18.6 Cu 2.3 powder was obtained by electrochemical deposition from an ammonium sulfate bath. The structure and surface morphology of the powder were detected by X-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. The electrochemically obtained Ni 79.1 Co 18.6 Cu 2.3 alloy contained an amorphous phase and nanocrystals with an average size of 6.8 nm of FCC phase of the solid solution of cobalt and copper in nickel. Nanocrystals were characterized by a high average microstrain value and high minimum density of chaotically distributed dislocations. X-ray analysis also showed that powder hydrogenation at an elevated temperature of up to 200 °C did not change unit cell parameters and mean crystallite size value. SEM images show the formation of two shapes of powder particles: large cauliflower-like particles and small dendritic ones. Powder pressing at 10 MPa and at 25 °C gave samples that were analyzed for hydrogen absorption/desorption within the temperature range of 160–200 °C. Changes in electrical resistivity during absorption/desorption were monitored. The reciprocal value of resistivity (electrical conductivity) was found to increase linearly with increasing amount of absorbed hydrogen. The experimental results were used to propose an absorption/desorption mechanism. The adsorbed hydrogen molecule dissociates on alloy surface, forming adsorbed atoms. Adatoms penetrate and diffuse into the bulk of the alloy, simultaneously donating their electrons to the conduction band of the alloy. The increase in the concentration of free electrons induces a decrease in electrical resistivity. The overall absorption rate during initial absorption is determined by the

Effects of Molybdenum Addition on Hydrogen Desorption of TiC Precipitation-Hardened Steel

Science.gov (United States)

Song, Eun Ju; Baek, Seung-Wook; Nahm, Seung Hoon; Suh, Dong-Woo

2018-03-01

The hydrogen-trap states in TiC and MoC that have coherent interfaces with ferrite were investigated using first-principles calculation. The trapping sites of TiC were the interfaces and interstitial sites of ferrite. On the other hand, the trapping sites of MoC were ferrite interstitial sites; the interface had a negative binding energy with H. Thermal desorption analysis confirms that the amounts of diffusible hydrogen were significantly reduced by addition of Mo in Ti-bearing steel.

Molecular Beam-Thermal Desorption Spectrometry (MB-TDS Monitoring of Hydrogen Desorbed from Storage Fuel Cell Anodes

Directory of Open Access Journals (Sweden)

Jorge H. F. Ribeiro

2012-02-01

Full Text Available Different types of experimental studies are performed using the hydrogen storage alloy (HSA MlNi3.6Co0.85Al0.3Mn0.3 (Ml: La-rich mischmetal, chemically surface treated, as the anode active material for application in a proton exchange membrane fuel cell (PEMFC. The recently developed molecular beam—thermal desorption spectrometry (MB-TDS technique is here reported for detecting the electrochemical hydrogen uptake and release by the treated HSA. The MB-TDS allows an accurate determination of the hydrogen mass absorbed into the hydrogen storage alloy (HSA, and has significant advantages in comparison with the conventional TDS method. Experimental data has revealed that the membrane electrode assembly (MEA using such chemically treated alloy presents an enhanced surface capability for hydrogen adsorption.

Theoretical study of hydrogen storage in metal hydrides.

Science.gov (United States)

Oliveira, Alyson C M; Pavão, A C

2018-05-04

Adsorption, absorption and desorption energies and other properties of hydrogen storage in palladium and in the metal hydrides AlH 3 , MgH 2 , Mg(BH 4 ) 2 , Mg(BH 4 )(NH 2 ) and LiNH 2 were analyzed. The DFT calculations on cluster models show that, at a low concentration, the hydrogen atom remains adsorbed in a stable state near the palladium surface. By increasing the hydrogen concentration, the tetrahedral and the octahedral sites are sequentially occupied. In the α phase the tetrahedral site releases hydrogen more easily than at the octahedral sites, but the opposite occurs in the β phase. Among the hydrides, Mg(BH 4 ) 2 shows the highest values for both absorption and desorption energies. The absorption energy of LiNH 2 is higher than that of the palladium, but its desorption energy is too high, a recurrent problem of the materials that have been considered for hydrogen storage. The release of hydrogen, however, can be favored by using transition metals in the material structure, as demonstrated here by doping MgH 2 with 3d and 4d-transition metals to reduce the hydrogen atomic charge and the desorption energy.

Positron annihilation study of hydrogen storage alloys

International Nuclear Information System (INIS)

Shirai, Yasuharu; Araki, Hideki; Sakaki, Kouji

2003-01-01

Some AB 5 and AB 2 hydrogen storage alloys have been characterized by using positron-annihilation lifetime spectroscopy. It has been shown that they contain no constitutional vacancies and that deviations from the stoichiometric compositions are all compensated by antistructure atoms. Positron lifetimes in fully-annealed LaNi 5-x Al x and MmNi 5-x Al x alloys show good correlation with their hydrogen desorption pressures. On the other hand, surprising amounts of vacancies together with dislocations have been found to be generated during the first hydrogen absorption process of LaNi 5 and ZrMn 2 . These lattice defects play important role in hydrogen absorption-desorption processes of hydrogen storage alloys. (author)

STM-Induced Hydrogen Desorption via a Hole Resonance

DEFF Research Database (Denmark)

Stokbro, Kurt; Thirstrup, C.; Sakurai, M.

1998-01-01

We report STM-induced desorption of H from Si(100)-H(2 X 1) at negative sample bias. The desorption rate exhibits a power-law dependence on current and a maximum desorption rate at -7 V. The desorption is explained by vibrational heating of H due to inelastic scattering of tunneling holes...... with the Si-H 5 sigma hole resonance. The dependence of desorption rate on current and bias is analyzed using a novel approach for calculating inelastic scattering, which includes the effect of the electric field between tip and sample. We show that the maximum desorption rate at -7 V is due to a maximum...

Hydrogen storage study on Ti2CrV and ZrFe1.8V0.2 composite system

International Nuclear Information System (INIS)

Banerjee, S.; Kumar, A.; Pillai, C.G.S.; Sudarsan, V.

2012-01-01

Ti 2 CrV is reported to have one of the highest hydrogen storage capacities (more than 4 wt. %) among the bcc phase transition metal alloys. It has been found from the earlier study that Ti 2 CrV alloy shows quite good hydrogen absorption property but the desorption temperature is on the higher side. The in-situ temperature programmed desorption profile shows that the hydrogen desorption starts from 120℃ and the desorption peak comes at 180℃, which is slightly high for the vehicular application. On the other hand ZrFe 1.8 V 0.2 Laves phase alloy has low hydrogen absorption capacity, but at the room temperature it can desorp all its hydrogen. The pressure composition isotherm of ZrFe 1.8 V 0.2 alloy generated during the experiment shows the typical characteristics of the room temperature reversible hydride. The in-situ temperature programmed desorption shows that the hydride can desorb all the hydrogen below room temperature

The kinetics of hydrogen absorption/desorption within nanostructured composite Ni{sub 79.1}Co{sub 18.6}Cu{sub 2.3} alloy using resistometry

Energy Technology Data Exchange (ETDEWEB)

Spasojevic, M., E-mail: ljiljana.spasojevic51@yahoo.com [Joint Laboratory for Advanced Materials of the Serbian Academy of Science and Arts, Section for Amorphous Systems, Svetog Save 65, 32000 Cacak, Republic of Serbia (Serbia); Faculty of Agronomy Cacak, University of Kragujevac, Cara Dusana 34, 32000 Cacak, Republic of Serbia (Serbia); Maricic, A. [Joint Laboratory for Advanced Materials of the Serbian Academy of Science and Arts, Section for Amorphous Systems, Svetog Save 65, 32000 Cacak, Republic of Serbia (Serbia); Ribic Zelenovic, L. [Joint Laboratory for Advanced Materials of the Serbian Academy of Science and Arts, Section for Amorphous Systems, Svetog Save 65, 32000 Cacak, Republic of Serbia (Serbia); Faculty of Agronomy Cacak, University of Kragujevac, Cara Dusana 34, 32000 Cacak, Republic of Serbia (Serbia); Krstajic, N.; Spasojevic, P. [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11000 Belgrade, Republic of Serbia (Serbia)

2013-02-25

Highlights: Black-Right-Pointing-Pointer Nanostructured Ni{sub 79.1}Co{sub 18.6}Cu{sub 2.3} powder was obtained by electrochemical deposition. Black-Right-Pointing-Pointer Correlation observed between electrical conductivity and absorbed hydrogen amount. Black-Right-Pointing-Pointer Hydrogen absorption/desorption mechanism was determined. - Abstract: Ni{sub 79.1}Co{sub 18.6}Cu{sub 2.3} powder was obtained by electrochemical deposition from an ammonium sulfate bath. The structure and surface morphology of the powder were detected by X-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. The electrochemically obtained Ni{sub 79.1}Co{sub 18.6}Cu{sub 2.3} alloy contained an amorphous phase and nanocrystals with an average size of 6.8 nm of FCC phase of the solid solution of cobalt and copper in nickel. Nanocrystals were characterized by a high average microstrain value and high minimum density of chaotically distributed dislocations. X-ray analysis also showed that powder hydrogenation at an elevated temperature of up to 200 Degree-Sign C did not change unit cell parameters and mean crystallite size value. SEM images show the formation of two shapes of powder particles: large cauliflower-like particles and small dendritic ones. Powder pressing at 10 MPa and at 25 Degree-Sign C gave samples that were analyzed for hydrogen absorption/desorption within the temperature range of 160-200 Degree-Sign C. Changes in electrical resistivity during absorption/desorption were monitored. The reciprocal value of resistivity (electrical conductivity) was found to increase linearly with increasing amount of absorbed hydrogen. The experimental results were used to propose an absorption/desorption mechanism. The adsorbed hydrogen molecule dissociates on alloy surface, forming adsorbed atoms. Adatoms penetrate and diffuse into the bulk of the alloy, simultaneously donating their electrons to the conduction band of the alloy. The increase in the concentration of free

Interaction of D2 with H2O amorphous ice studied by temperature-programmed desorption experiments.

Science.gov (United States)

Amiaud, L; Fillion, J H; Baouche, S; Dulieu, F; Momeni, A; Lemaire, J L

2006-03-07

The gas-surface interaction of molecular hydrogen D2 with a thin film of porous amorphous solid water (ASW) grown at 10 K by slow vapor deposition has been studied by temperature-programmed-desorption (TPD) experiments. Molecular hydrogen diffuses rapidly into the porous network of the ice. The D2 desorption occurring between 10 and 30 K is considered here as a good probe of the effective surface of ASW interacting with the gas. The desorption kinetics have been systematically measured at various coverages. A careful analysis based on the Arrhenius plot method has provided the D2 binding energies as a function of the coverage. Asymmetric and broad distributions of binding energies were found, with a maximum population peaking at low energy. We propose a model for the desorption kinetics that assumes a complete thermal equilibrium of the molecules with the ice film. The sample is characterized by a distribution of adsorption sites that are filled according to a Fermi-Dirac statistic law. The TPD curves can be simulated and fitted to provide the parameters describing the distribution of the molecules as a function of their binding energy. This approach contributes to a correct description of the interaction of molecular hydrogen with the surface of possibly porous grain mantles in the interstellar medium.

Thermal stability of hydrogenated small-diameter carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Podlivaev, A. I., E-mail: AIPodlivayev@mephi.ru; Openov, L. A. [National Research Nuclear University “MEPhI” (Russian Federation)

2017-02-15

The initial stage of hydrogen desorption from fully hydrogenated carbon nanotubes (3.0) and (2.2) is numerically studied by the molecular dynamics method. The temperature dependence of the desorption rate is directly determined at T = 1800–2500 K. The characteristic desorption times are determined at temperatures outside this range by extrapolation. It is shown that hydrogen desorption leads to the appearance of electronic states in the band gap.

Hydrogen absorption study of Ti-based alloys performed by melt-spinning

Energy Technology Data Exchange (ETDEWEB)

Ribeiro, R.M.; Lemus, L.F.; Santos, D.S. dos, E-mail: rafaella@metalmat.ufrj.br [Coordenacao dos Programas de Pos-Graduacao em Engenharia (PEMM/COPPEP/UFRJ), Rio de Janeiro, RJ (Brazil). Programa de Engenharia Metalurgica e de Materiais

2013-11-01

The hydrogen absorption and desorption of Ti{sub 53}Zr{sub 27}Ni{sub 20} icosahedral quasicrystal (ICQ) and Ti{sub 50}Ni{sub 50} shape memory alloy (SMA) melt-spun ribbons was studied. Samples were exposed to hydrogen gas at 623 K and 4 MPa for 1000 minutes. The total capacity of hydrogen obtained for Ti{sub 53}Zr{sub 27}Ni{sub 20} and Ti{sub 50}Ni{sub 50} was 3.2 and 2.4 wt. % respectively. The Thermal Desorption Spectrometry (TDS) of the hydrogenated alloys shows that both alloys start to desorb hydrogen around 750 K. X-ray diffraction (XRD) patterns, performed after hydrogenation, indicate a complete amorphization of the Ti{sub 53}Zr{sub 27}Ni{sub 20} i-phase alloy, while the Ti{sub 50}Ni{sub 50} alloy remained crystalline after hydride formation. (author)

Data compilation for particle impact desorption

International Nuclear Information System (INIS)

Oshiyama, Takashi; Nagai, Siro; Ozawa, Kunio; Takeuchi, Fujio.

1984-05-01

The desorption of gases from solid surfaces by incident electrons, ions and photons is one of the important processes of hydrogen recycling in the controlled thermonuclear reactors. We have surveyed the literature concerning the particle impact desorption published through 1983 and compiled the data on the desorption cross sections and desorption yields with the aid of a computer. This report presents the results obtained for electron stimulated desorption, the desorption cross sections and yields being given in graphs and tables as functions of incident electron energy, surface temperature and gas exposure. (author)

Effect of hydrogenation disproportionation conditions on magnetic anisotropy in Nd-Fe-B powder prepared by dynamic hydrogenation disproportionation desorption recombination

Directory of Open Access Journals (Sweden)

Masao Yamazaki

2017-05-01

Full Text Available Various anisotropic Nd-Fe-B magnetic powders were prepared by the dynamic hydrogenation disproportionation desorption recombination (d-HDDR treatment with different hydrogenation disproportionation (HD times (tHD. The resulting magnetic properties and microstructural changes were investigated. The magnetic anisotropy was decreased with increasing tHD. In the d-HDDR powders with higher magnetic anisotropy, fine (200–600 nm and coarse (600–1200 nm Nd2Fe14B grains were observed. The coarse Nd2Fe14B grains showed highly crystallographic alignment of the c-axis than fine Nd2Fe14B grains. In the highly anisotropic Nd2Fe14B d-HDDR powder, a large area fraction of lamellar-like structures consisting of NdH2 and α-Fe were observed after HD treatment. Furthermore, the mean diameter of the lamellar-like regions, where lamellar-like structures orientate to the same direction in the HD-treated alloys was close to that of coarse Nd2Fe14B grains after d-HDDR treatment. Thus, the lamellar-like regions were converted into the crystallographically aligned coarse Nd2Fe14B grains during desorption recombination treatment, and magnetic anisotropy is closely related to the volume fraction of lamellar-like regions observed after HD treatment.

Catalytic effect of Ni, Mg2Ni and Mg2NiH4 upon hydrogen desorption from MgH2

Czech Academy of Sciences Publication Activity Database

Čermák, Jiří; David, Bohumil

2011-01-01

Roč. 36, č. 21 (2011), s. 13614-13620 ISSN 0360-3199 R&D Projects: GA ČR GA106/09/0814; GA ČR(CZ) GAP108/11/0148 Institutional research plan: CEZ:AV0Z20410507 Keywords : MgH2 * Hydrogen storage * Hydrogen desorption * Catalysis Subject RIV: JG - Metallurgy Impact factor: 4.054, year: 2011

Actuation of Pneumatic Artificial Muscle via Hydrogen Absorption/Desorption of Metal Hydride-LaNi5

Directory of Open Access Journals (Sweden)

Thanana Nuchkrua

2015-01-01

Full Text Available This paper presents experimental studies on mechanical actuations of a pneumatic artificial muscle (PAM, which is driven by hydrogen gas based metal hydride (MH. The dynamic performances of hydrogen absorption/desorption, taking place within a MH reactor, are controlled via implementing cooling/heating effects of a thermoelectric module (TEM. Hydrogen pressure is applied as a driving force to commanding work outputs of the PAM as desired mechanical actuations. Due to strong inherent nonlinearity, a conventional proportional integral derivative (PID control law is not capable of regulating thermodynamic variables of the HM reaction according to desired performances of the PAM. In this study, the fuzzy adaptive PID control is proposed in manipulating the MH reaction via the TEM. This viability of the proposed methodology is confirmed by the fact that the gains of PID control law are adapted by fuzzy rule-based tuning scheme at various operating conditions of the MH reactor. The experimental results show that the proposed control technique is much more effective than a PID control in both transient and steady state performances of the MH reactor for servo mechanical actuation of the PAM.

Physicochemical and thermodynamic investigation of hydrogen absorption and desorption in LaNi3.8Al1.0Mn0.2 using the statistical physics modeling

Science.gov (United States)

Bouaziz, Nadia; Ben Manaa, Marwa; Ben Lamine, Abdelmottaleb

2018-06-01

In the present work, experimental absorption and desorption isotherms of hydrogen in LaNi3.8Al1.0Mn0.2 metal at two temperatures (T = 433 K, 453 K) have been fitted using a monolayer model with two energies treated by statistical physics formalism by means of the grand canonical ensemble. Six parameters of the model are adjusted, namely the numbers of hydrogen atoms per site nα and nβ, the receptor site densities Nmα and Nmβ, and the energetic parameters Pα and Pβ. The behaviors of these parameters are discussed in relationship with temperature of absorption/desorption process. Then, a dynamic investigation of the simultaneous evolution with pressure of the two α and β phases in the absorption and desorption phenomena using the adjustment parameters. Thanks to the energetic parameters, we calculated the sorption energies which are typically ranged between 276.107 and 310.711 kJ/mol for absorption process and between 277.01 and 310.9 kJ/mol for desorption process comparable to usual chemical bond energies. The calculated thermodynamic parameters such as entropy, Gibbs free energy and internal energy from experimental data showed that the absorption/desorption of hydrogen in LaNi3.8Al1.0Mn0.2 alloy was feasible, spontaneous and exothermic in nature.

High stability of palladium/kieselguhr composites during absorption/desorption cycling for hydrogen isotope separation

Energy Technology Data Exchange (ETDEWEB)

Lei, Yang, E-mail: lei.y@outlook.com; Liu, Xiaopeng; Li, Shuo; Jiang, Lijun; Zhang, Chao; Li, Shuai; He, Di; Wang, Shumao

2016-12-15

Highlights: • Pd/K composites with as high as 57 wt.% of Pd have been successfully prepared. • Palladium particles can be effectively packed into the pores of kieselguhr substrates. • Variation of heat-treatment temperatures hardly affect hydrogen absorption capacity and hydrogen saturation time of the Pd/K. • Anti-pulverization property of Pd/K can be improved by packing palladium into the kieselguhr internal pores and heating at 1300 °C. - Abstract: Palladium/kieselguhr (Pd/K) composites with 57 wt.% of Pd were prepared by an improved dipping and thermal decomposition method and heated at elevated temperature to reduce breakdown during hydrogenation-dehydrogenation cycles. The hydrogen absorption kinetic properties of the samples heated at different temperatures were tested under the condition of 20 °C with 100 kPa hydrogen pressure. The 1300 °C heated Pd/K composites were repeated up to 4010 absorption and desorption cycles at temperature ranges between −40 °C and 200 °C. The results show that the phase structure, hydrogen absorption capacity and hydrogen saturation time of the Pd/K were not affected by the change of heat-treated temperatures. And after heat treatment at 1300 °C, the Pd/K particles were strengthened and fraction of larger than 80 mesh were as high as 93.4%.

Electrocatalytic activity of a mononuclear yttrium(III)–methyl orange complex and Y{sub 2}O{sub 2}SO{sub 4} nanoparticles for adsorption/desorption of hydrogen

Energy Technology Data Exchange (ETDEWEB)

Shafaie, Fahimeh [Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111 (Iran, Islamic Republic of); Hadadzadeh, Hassan, E-mail: hadad@cc.iut.ac.ir [Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111 (Iran, Islamic Republic of); Behnamfar, Mohammad Taghi [Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111 (Iran, Islamic Republic of); Rudbari, Hadi Amiri [Faculty of Chemistry, University of Isfahan, Isfahan, 81746-73441 (Iran, Islamic Republic of)

2016-12-01

A new mononuclear yttrium(III) complex, [Y(MO){sub 3}(DMF){sub 3}(H{sub 2}O){sub 2}] (where MO{sup –} is methyl orange anion (4-[(4-dimethylamino)phenyldiazenyl]benzenesulfonate)), was synthesized in an aqueous solution. The complex was characterized by elemental analysis, UV/Vis, FT-IR, and single-crystal X-ray crystallography. The yttrium oxysulfate nanoparticles (Y{sub 2}O{sub 2}SO{sub 4}) were then prepared by calcination of [Y(MO){sub 3}(DMF){sub 3}(H{sub 2}O){sub 2}]. The obtained nanoparticles were characterized by FT-IR, X-ray diffraction analysis (XRD), and field-emission scanning electron microscopy (FE-SEM). The hydrogen adsorption/desorption (H{sub ads}/H{sub des}) behavior of the Y(III) complex and Y{sub 2}O{sub 2}SO{sub 4} nanoparticles was studied at a carbon paste electrode (CPE) in H{sub 2}SO{sub 4} by cyclic voltammetry (CV). The recorded voltammograms exhibited a pair of peaks corresponding to the adsorption/desorption of hydrogen for the Y(III) complex and Y{sub 2}O{sub 2}SO{sub 4} nanoparticles. The results show a reversible hydrogen adsorption/desorption reaction for both compounds. The voltammograms of the nanoparticles indicate an excellent cycling stability for the adsorption/desorption of hydrogen. In addition, the linear sweep voltammetry (LSV) technique was used to investigate the electrocatalytic activity of both compounds for the hydrogen adsorption reaction. The linear voltammograms of both compounds demonstrate the excellent electrocatalytic activity for the hydrogen adsorption reaction. - Highlights: • Preparation of a new Y(III) complex and Y{sub 2}O{sub 2}SO{sub 4} nanoparticles. • Investigation of the H{sub ads}/H{sub des} reaction for both compounds by voltammetry. • Observation of two peaks corresponding to the H{sub ads}/H{sub des} in both compounds. • An excellent cycling stability for the nanoparticles in H{sub 2}SO{sub 4}.

Hydrogen kinetics studies of MgH2-FeTi composites

Science.gov (United States)

Meena, Priyanka; Jangir, Mukesh; Singh, Ramvir; Sharma, V. K.; Jain, I. P.

2018-05-01

MgH2 + x wt% FeTi (x=10, 25, 50) nano composites were ball milled to get nano structured material and characterized for structural, morphological and thermal properties. XRD of the milled samples revealed the formation of MgH2, FeTi, Fe2Ti and H0.06FeTi phases. Morphological studies by SEM were undertaken to investigate the effect of hydrogenation of nanostructure alloy. EDX confirmed elemental composition of the as-prepared alloy. TGA studies showed higher desorption temperature for milled MgH2 compared to x wt% FeTi added MgH2. Activation energy for hydrogen desorption was found to be -177.90, -215.69, -162.46 and -87.93 kJ/mol for milled MgH2 and Mg2+x wt% FeTi (10, 25, 50), showing 89.97 kJ/ mol reduction in activation energy for 50 wt% alloy additives resulting in improved hydrogen storage capacity. DSC investigations were carried out to investigate the effect of alloy on hydrogen absorption behavior of MgH2.

Data compilation for particle-impact desorption, 2

International Nuclear Information System (INIS)

Oshiyama, Takashi; Nagai, Siro; Ozawa, Kunio; Takeutchi, Fujio.

1985-07-01

The particle impact desorption is one of the elementary processes of hydrogen recycling in controlled thermonuclear fusion reactors. We have surveyed the literature concerning the ion impact desorption and photon stimulated desorption published through the end of 1984 and compiled the data on the desorption cross sections and yields with the aid of a computer. This report presents the results of the compilation in graphs and tables as functions of incident energy, surface temperature and surface coverage. (author)

High hydrogen desorption properties of Mg-based nanocomposite at moderate temperatures: The effects of multiple catalysts in situ formed by adding nickel sulfides/graphene

Science.gov (United States)

Xie, Xiubo; Chen, Ming; Liu, Peng; Shang, Jiaxiang; Liu, Tong

2017-12-01

Nickel sulfides decorated reduced graphene oxide (rGO) has been produced by co-reducing Ni2+ and graphene oxide (GO), and is subsequently ball milled with Mg nanoparticles (NPs) produced by hydrogen plasma metal reaction (HPMR). The nickel sulfides of about 800 nm completely in situ change to MgS, Mg2Ni and Ni multiple catalysts after first hydrogenation/dehydrogenation process at 673 K. The Mg-5wt%NiS/rGO nanocomposite shows the highest hydrogen desorption kinetics and capacity properties, and the catalytic effect order of the additives is NiS/rGO, NiS and rGO. At 573 K, the Mg-NiS/rGO nanocomposite can quickly desorb 3.7 wt% H2 in 10 min and 4.5 wt% H2 in 60 min. The apparent hydrogen absorption and desorption activation energies of the Mg-5wt%NiS/rGO nanocomposite are decreased to 44.47 and 63.02 kJ mol-1, smaller than those of the Mg-5wt%rGO and Mg-5wt%NiS samples. The best hydrogen desorption properties of the Mg-5wt%NiS/rGO nanocomposite can be explained by the synergistic catalytic effects of the highly dispersed MgS, Mg2Ni and Ni catalysts on the rGO sheets, and the more nucleation sites between the catalysts, rGO sheets and Mg matrix.

Study on the complex Li-N-H hydrogen storage system

International Nuclear Information System (INIS)

Du, Linnan

2014-01-01

Nowadays the developments of clean energy technologies become more and more necessary and important. Hydrogen-powered vehicles are a promising alternative to the current fossil fuel based vehicle infrastructure. However, so far there is still no hydrogen storage material which can fit the standards for an on-board hydrogen storage system. On this background, this work deals with the development of a hydrogen storage material. The focus is put on the Lithium amide + Lithium hydride (LiNH 2 +LiH) hydrogen storage system because of its high theoretical capacity and relatively low desorption temperature. Moreover, Lithium amide + Magnesium hydride (LiNH 2 +MgH 2 ) as an alternative system was also briefly studied. The aims of this work are to achieve a deeper understanding of the reaction mechanism with the help of microstructural and thermodynamic studies, building a model to describe the sorption process and then to improve the system properties. As the desorption from LiNH 2 particles is the first step of the desorption process of the LiNH 2 +LiH system, the properties and sorption behavior of LiNH 2 sample materials were studied separately first. So the work in this thesis can be mainly divided into two parts: LiNH 2 samples and LiNH 2 +LiH samples. In order to activate the sample materials, both dry ball milling and wet ball milling (with tetrahydrofuran) methods were used. Boron nitride was mainly applied as catalyst. Furthermore, titanium tetrachloride was also used as an alternative additive. The sorption behaviors were studied with the help of a volumetric and a gravimetric system. Further investigation methods include X-ray Diffraction (XRD) method, Scanning Electron Microscope (SEM), Brunauer-Emmett-Teller (BET) method, Differential Thermal Analysis (DTA)/ Thermo Gravimetric Analysis (TGA)/ Mass Spectrometry (MS), and others. The results obtained in this work show that no obvious microstructure differences have been found between the wet ball milled and dry

Effects of buffer agents on hydrogen adsorption and desorption at/within activated carbon for the negative electrode of aqueous asymmetric supercapacitors

International Nuclear Information System (INIS)

Chien, Hsiu-Chuan; Wu, Tzu-Ho; Rajkumar, Muniyandi; Hu, Chi-Chang

2016-01-01

Highlights: • H adsorption causes local pH increase and negatively shifts the double-layer potential window. • The local pH variation at AC/electrolyte interface can be controlled via adding buffer agents. • H adsorption potential on AC in buffer electrolytes follows the Nernstian dependence. • The pseudocapacitive reversibility of H adsorption/desorption at/within AC is too poor. - Abstract: In this work, the effects of adding buffer agents into aqueous electrolytes on the hydrogen adsorption/desorption behaviour at/within activated carbon are systematically investigated for the negative electrode of asymmetric supercapacitors. Due to the poor electrochemical reversibility of hydrogen adsorption/desorption at/within activated carbon, the hydrogen responses at/within activated carbon are not suitable for pseudo-capacitive energy storage of high-performance asymmetric supercapacitor. The electrochemical adsorption of H atoms consumes protons and causes the local pH change at the activated carbon/electrolyte interface, leading to the negative shift in the H adsorption potential when weakly acidic, neutral, and weakly basic electrolytes without buffer agents are employed. The addition of buffer agents into electrolytes significantly improves the rate of proton supply and promotes the rate of hydrogen adsorption at/within AC. Interestingly, the onset potential of significant H adsorption obtained from the buffered electrolytes generally follows the Nernstian dependence, suggesting the Nerstian dependence of H"+/H_a_d_s on AC at all pH values. In order to obtain the energy storage devices with high coulombic and energy efficiencies, the onset potential of significant H adsorption obtained from the electrolyte containing buffer agents is a reliable lower potential limit of the AC-coated negative electrode for aqueous asymmetric supercapacitors.

Analysis of the technique Thermal Desorption Spectroscopy (TDS) and its Application for the Characterization of Metal -Hydrogen Systems; Analisis de la Tecnica Espectroscopia de Desorcion Termica (TDS) y su Applicacion para la Caracterizacion de Sistemas Metal-Hydrogeno

Energy Technology Data Exchange (ETDEWEB)

Castro, F J [Comision Nacional de Energia Atomica, Centro Atomico Bariloche (Argentina)

2000-07-01

We present the theoretical and experimental developments made to study the desorption of hydrogen from metallic samples by Thermal Desorption Spectroscopy (TDS). With this technique gas desorption is stimulated by the programmed heating of the sample. To perform the study we set up a newly designed equipment and develop theoretical models of the kinetic processes involved. The equipment and the models are used to analyze the desorption process in a real system. We begin by analyzing the models developed to interpret the results of the experiments. These models considersimultaneously bulk diffusion and surface reaction processes in metal-hydrogen systems with one or two thermodynamic phases. We present numerical results, computer simulations and analytical approximations of the original models. Based on these results we analyze the main features of the spectra for the different relevant kinetic processes, and determine the changes induced in them when material parameters (activation energies, geometry) or experimental parameters (heating speed, initial concentration) are modified.We present the original equipment, designed and constructed during this work to perform the TDS experiments. We describe its main characteristics, its components, its range of operation and its sensibility. We also offer an analysis of the background spectrum. We use the Pd-H system to test the equipment and the models. The samples chosen, powders, granules, foils and wires, were previously characterized to analyze their composition, their morphology and their characteristic size. We show the results of Scanning Electron Microscopy (SEM) observation, X ray diffraction (XRD) and Auger Electron Spectroscopy (AES) analysis.We then present and analyze in depth the experimental desorption spectra of the palladium powder. Based on the analysis we determine the rate limiting step for desorption and the characteristic activation energies. When the system is on the b phase (hydride) the rate

Study on the complex Li-N-H hydrogen storage system

Energy Technology Data Exchange (ETDEWEB)

Du, Linnan

2014-07-01

Nowadays the developments of clean energy technologies become more and more necessary and important. Hydrogen-powered vehicles are a promising alternative to the current fossil fuel based vehicle infrastructure. However, so far there is still no hydrogen storage material which can fit the standards for an on-board hydrogen storage system. On this background, this work deals with the development of a hydrogen storage material. The focus is put on the Lithium amide + Lithium hydride (LiNH{sub 2}+LiH) hydrogen storage system because of its high theoretical capacity and relatively low desorption temperature. Moreover, Lithium amide + Magnesium hydride (LiNH{sub 2}+MgH{sub 2}) as an alternative system was also briefly studied. The aims of this work are to achieve a deeper understanding of the reaction mechanism with the help of microstructural and thermodynamic studies, building a model to describe the sorption process and then to improve the system properties. As the desorption from LiNH{sub 2} particles is the first step of the desorption process of the LiNH{sub 2}+LiH system, the properties and sorption behavior of LiNH{sub 2} sample materials were studied separately first. So the work in this thesis can be mainly divided into two parts: LiNH{sub 2} samples and LiNH{sub 2}+LiH samples. In order to activate the sample materials, both dry ball milling and wet ball milling (with tetrahydrofuran) methods were used. Boron nitride was mainly applied as catalyst. Furthermore, titanium tetrachloride was also used as an alternative additive. The sorption behaviors were studied with the help of a volumetric and a gravimetric system. Further investigation methods include X-ray Diffraction (XRD) method, Scanning Electron Microscope (SEM), Brunauer-Emmett-Teller (BET) method, Differential Thermal Analysis (DTA)/ Thermo Gravimetric Analysis (TGA)/ Mass Spectrometry (MS), and others. The results obtained in this work show that no obvious microstructure differences have been found

In situ measurements of fuel retention by laser induced desorption spectroscopy in TEXTOR

Science.gov (United States)

Zlobinski, M.; Philipps, V.; Schweer, B.; Huber, A.; Stoschus, H.; Brezinsek, S.; Samm, U.; TEXTOR Team

2011-12-01

In future fusion devices such as ITER tritium retention due to tritium co-deposition in mixed material layers can be a serious safety problem. Laser induced desorption spectroscopy (LIDS) can measure the hydrogen content of hydrogenic carbon layers locally on plasma-facing components, while hydrogen is used as a tritium substitute. For several years, this method has been applied in the TEXTOR tokamak in situ during plasma operation to monitor the hydrogen content in space and time. This work shows the LIDS signal reproducibility and studies the effects of different plasma conditions, desorption distances from the plasma and different laser energies using a dedicated sample with constant hydrogen amount. Also the LIDS signal evaluation procedure is described in detail and the detection limits for different conditions in the TEXTOR tokamak are estimated.

Site Specificity in Femtosecond Laser Desorption of Neutral H Atoms from Graphite(0001)

DEFF Research Database (Denmark)

Frigge, R.; Hoger, T.; Siemer, B.

2010-01-01

Femtosecond laser excitation and density functional theory reveal site and vibrational state specificity in neutral atomic hydrogen desorption from graphite induced by multiple electronic transitions. Multimodal velocity distributions witness the participation of ortho and para pair states...... of chemisorbed hydrogen in the desorption process. Very slow velocities of 700 and 400  ms-1 for H and D atoms are associated with the desorption out of the highest vibrational state of a barrierless potential....

The study of hydrogen electrosorption in layered nickel foam/palladium/carbon nanofibers composite electrodes

International Nuclear Information System (INIS)

Skowronski, J.M.; Czerwinski, A.; Rozmanowski, T.; Rogulski, Z.; Krawczyk, P.

2007-01-01

In the present work, the process of hydrogen electrosorption occurring in alkaline KOH solution on the nickel foam/palladium/carbon nanofibers (Ni/Pd/CNF) composite electrodes is examined. The layered Ni/Pd/CNF electrodes were prepared by a two-step method consisting of chemical deposition of a thin layer of palladium on the nickel foam support to form Ni/Pd electrode followed by coating the palladium layer with carbon nanofibers layer by means of the CVD method. The scanning electron microscope was used for studying the morphology of both the palladium and carbon layer. The process of hydrogen sorption/desorption into/from Ni/Pd as well as Ni/Pd/CNF electrode was examined using the cyclic voltammetry method. The amount of hydrogen stored in both types of composite electrodes was shown to increase on lowering the potential of hydrogen sorption. The mechanism of the anodic desorption of hydrogen changes depending on whether or not CNF layer is present on the Pd surface. The anodic peak corresponding to the removal of hydrogen from palladium is lower for Ni/Pd/CNF electrode as compared to that measured for Ni/Pd one due to a partial screening of the Pd surface area by CNF layer. The important feature of Ni/Pd/CNF electrode is anodic peak appearing on voltammetric curves at potential ca. 0.4 V more positive than the peak corresponding to hydrogen desorption from palladium. The obtained results showed that upon storing the hydrogen saturated Ni/Pd/CNF electrode at open circuit potential, diffusion of hydrogen from carbon to palladium phase occurs due to interaction between carbon fibers and Pd sites on the nickel foam support

The Effects of Added Hydrogen on Noble Gas Discharges Used as Ambient Desorption/Ionization Sources for Mass Spectrometry

Science.gov (United States)

Ellis, Wade C.; Lewis, Charlotte R.; Openshaw, Anna P.; Farnsworth, Paul B.

2016-09-01

We demonstrate the effectiveness of using hydrogen-doped argon as the support gas for the dielectric barrier discharge (DBD) ambient desorption/ionization (ADI) source in mass spectrometry. Also, we explore the chemistry responsible for the signal enhancement observed when using both hydrogen-doped argon and hydrogen-doped helium. The hydrogen-doped argon was tested for five analytes representing different classes of molecules. Addition of hydrogen to the argon plasma gas enhanced signals for gas-phase analytes and for analytes coated onto glass slides in positive and negative ion mode. The enhancements ranged from factors of 4 to 5 for gas-phase analytes and factors of 2 to 40 for coated slides. There was no significant increase in the background. The limit of detection for caffeine was lowered by a factor of 79 using H2/Ar and 2 using H2/He. Results are shown that help explain the fundamental differences between the pure-gas discharges and those that are hydrogen-doped for both argon and helium. Experiments with different discharge geometries and grounding schemes indicate that observed signal enhancements are strongly dependent on discharge configuration.

Hydrogen retention properties of lithium film

International Nuclear Information System (INIS)

Kanaya, Koh; Yamauchi, Yuji; Hirohata, Yuko; Hino, Tomoaki; Mori, Kintaro

1998-01-01

Hydrogen retention properties of Li films and lithium oxide-lithium hydroxide (Li 2 O-LiOH) mixed films were investigated by two methods, hydrogen ion irradiation and hydrogen glow discharge. In a case of the hydrogen ion irradiation, thermal desorption spectrum of hydrogen retained in Li 2 O-LiOH film had two desorption peaks at around 470 K and 570 K. The ratio between retained hydrogen and Li atom was about 0.7. In a case of the hydrogen glow discharge, the hydrogen was also gettered in Li film during the discharge. The ratio of H/Li was almost 0.9. Most of gettered hydrogen desorbed by a baking with a temperature of 370 K. On the contrary, when the Li film exposed to the atmosphere was irradiated by the hydrogen plasma, the desorption of H 2 O was observed in addition to the adsorption of H 2 . (author)

Recent progress of hydrogen isotope behavior studies for neutron or heavy ion damaged W

International Nuclear Information System (INIS)

Oya, Yasuhisa; Hatano, Yuji; Shimada, Masashi; Buchenauer, Dean; Kolasinski, Robert; Merrill, Brad; Kondo, Sosuke; Hinoki, Tatsuya; Alimov, Vladimir Kh.

2016-01-01

Highlights: • This paper reviews recent results pertaining to hydrogen isotope behavior in neutron and heavy ion damaged W. • Accumulation of damage in W creates stable trapping sites for hydrogen isotopes, thereby changing the observed desorption behavior. • The distribution of defects throughout the sample also changes the shape of TDS spectrum. • Experimental results show that production of Re by nuclear reaction of W with neutrons reduces the density of trapping sites, though no remarkable retention enhancement is observed. - Abstract: This paper reviews recent results pertaining to hydrogen isotope behavior in neutron and heavy ion damaged W. Accumulation of damage in W creates stable trapping sites for hydrogen isotopes, thereby changing the observed desorption behavior. In particular, the desorption temperature shifts higher as the defect concentration increases. In addition, the distribution of defects throughout the sample also changes the shape of TDS spectrum. Even if low energy traps were distributed in the bulk region, the D diffusion toward the surface requires additional time for trapping/detrapping during surface-to-bulk transport, contributing to a shift of desorption peaks toward higher temperatures. It can be said that both of distribution of damage (e.g. hydrogen isotope trapping sites) and their stabilities would have a large impact on desorption. In addition, transmutation effects should be also considered for an actual fusion environment. Experimental results show that production of Re by nuclear reaction of W with neutrons reduces the density of trapping sites, though no remarkable retention enhancement is observed.

Recent progress of hydrogen isotope behavior studies for neutron or heavy ion damaged W

Energy Technology Data Exchange (ETDEWEB)

Oya, Yasuhisa, E-mail: syoya@ipc.shizuoka.ac.jp [Shizuoka University, 836 Ohya, Suruga-ku Shizuoka 422-8529 (Japan); Hatano, Yuji [University of Toyama, 3190 Gofuku, Toyama 939-8555 (Japan); Shimada, Masashi [Idaho National Laboratory, Idaho Falls, ID 83415 (United States); Buchenauer, Dean; Kolasinski, Robert [Sandia National Laboratories, Livermore, CA 94551 (United States); Merrill, Brad [Idaho National Laboratory, Idaho Falls, ID 83415 (United States); Kondo, Sosuke; Hinoki, Tatsuya [Kyoto University, Gokasho, Uji 611-0011 (Japan); Alimov, Vladimir Kh. [University of Toyama, 3190 Gofuku, Toyama 939-8555 (Japan)

2016-12-15

Highlights: • This paper reviews recent results pertaining to hydrogen isotope behavior in neutron and heavy ion damaged W. • Accumulation of damage in W creates stable trapping sites for hydrogen isotopes, thereby changing the observed desorption behavior. • The distribution of defects throughout the sample also changes the shape of TDS spectrum. • Experimental results show that production of Re by nuclear reaction of W with neutrons reduces the density of trapping sites, though no remarkable retention enhancement is observed. - Abstract: This paper reviews recent results pertaining to hydrogen isotope behavior in neutron and heavy ion damaged W. Accumulation of damage in W creates stable trapping sites for hydrogen isotopes, thereby changing the observed desorption behavior. In particular, the desorption temperature shifts higher as the defect concentration increases. In addition, the distribution of defects throughout the sample also changes the shape of TDS spectrum. Even if low energy traps were distributed in the bulk region, the D diffusion toward the surface requires additional time for trapping/detrapping during surface-to-bulk transport, contributing to a shift of desorption peaks toward higher temperatures. It can be said that both of distribution of damage (e.g. hydrogen isotope trapping sites) and their stabilities would have a large impact on desorption. In addition, transmutation effects should be also considered for an actual fusion environment. Experimental results show that production of Re by nuclear reaction of W with neutrons reduces the density of trapping sites, though no remarkable retention enhancement is observed.

Preparation of Sm2Fe17-xGaxNy/Cy magnets by a hydrogenation-disproportionation-desorption-recombination process

International Nuclear Information System (INIS)

Kubis, M.; Cao, L.; Handstein, A.; Gebel, B.; Mueller, K.; Schultz, L.

1997-01-01

A hydrogenation-disproportionation-desorption-recombination process (HDDR) was applied to Sm 2 Fe 17-x Ga x (x=0.5, 1, and 2). The process was studied by means of temperature-pressure analysis, x-ray diffraction and scanning electron microscopy. It was shown that Ga not only stabilizes the interstitially modified compounds Sm 2 Fe 17-x Ga x C y (0 2 Fe 17-x Ga x against the disproportionation by hydrogen. Therefore, only for x=0.5 can a nearly complete HDDR be performed. The HDDR-treated and subsequently nitrogenated or carburized samples show coercivities μ 0J H C up to 3.1 T and 2.5 T, respectively. Hot compaction increases the density of the Sm 2 Fe 16.5 Ga 0.5 C y powder; however, it leads to a loss of coercivity due to decomposition into α-iron and samarium carbides. copyright 1997 American Institute of Physics

Studies of the effects of TiCl3 in LiBH4/CaH2/TiCl3 reversible hydrogen storage system

International Nuclear Information System (INIS)

Liu Dongan; Yang Jun; Ni Jun; Drews, Andy

2012-01-01

Highlights: ► We systematically studied the effects of TiCl 3 in LiBH 4 /CaH 2 /TiCl 3 hydrogen storage system. ► It is found that adding 0.25 TiCl 3 produces fully reversible hydrogen absorption and desorption and a lower desorption temperature. ► LiCl experiences four different states, i.e. “formed-solid solution-molten solution-precipitation”, in the whole desorption process of the system. ► The incorporation of LiCl into LiBH 4 forms more viscous molten LiBH 4 ·LiCl, leading to fast kinetics. ► The precipitation and re-incorporation of LiCl into LiBH 4 lead to a fully reversible complex hydrogen storage system. - Abstract: In the present study, the effects of TiCl 3 on desorption kinetics, absorption/desorption reversibility, and related phase transformation processes in LiBH 4 /CaH 2 /TiCl 3 hydrogen storage system was studied systematically by varying its concentration (x = 0, 0.05, 0.15 and 0.25). The results show that LiCl forms during ball milling of 6LiBH 4 /CaH 2 /xTiCl 3 and that as temperature increases, o-LiBH 4 transforms into h-LiBH 4 , into which LiCl incorporates, forming solid solution of LiBH 4 ·LiCl, which melts above 280 °C. Molten LiBH 4 ·LiCl is more viscous than molten LiBH 4 , preventing the clustering of LiBH 4 and the accompanied agglomeration of CaH 2 , and thus preserving the nano-sized phase arrangement formed during ball milling. Above 350 °C, the molten solution LiBH 4 ·LiCl further reacts with CaH 2 , precipitating LiCl. The main hydrogen desorption reaction is between molten LiBH 4 ·LiCl and CaH 2 and not between molten LiBH 4 and CaH 2 . This alters the hydrogen reaction thermodynamics and lowers the hydrogen desorption temperature. In addition, the solid–liquid nano-sized phase arrangement in the nano-composites improves the hydrogen reaction kinetics. The reversible incorporation/precipitation of LiCl at the hydrogen reaction temperature and during temperature cycling makes the 6LiBH 4 /CaH 2 /0.25TiCl 3

A systematic neutron reflectometry study on hydrogen absorption in thin Mg{sub 1-x}Al{sub x} alloy films

Energy Technology Data Exchange (ETDEWEB)

Fritzsche, H.; Poirier, E. [National Research Council of Canada, Chalk River, ON (Canada). Canadian Neutron Beam Centre; Haagsma, J.; Ophus, C.; Luber, E.; Harrower, C.T.; Mitlin, D. [Alberta Univ., Edmonton, AB (Canada). Dept. of Chemical and Materials Engineering; National Research Council of Canada, Edmonton, AB (Canada). National Inst. for Nanotechnology

2010-10-15

Various methods for storing hydrogen have been examined in an effort to find ways to store hydrogen in increasingly smaller volumes with decreasing weight of the whole hydrogen storage system. Metal hydrides, in which hydrogen is chemically bound to a metal atom, are considered to be very promising candidates for hydrogen storage because they have high gravimetric and volumetric storage capacities. This study investigated the effect of different magnesium (Mg) and aluminium (Al) ratios on the absorption and desorption properties of thin films. Neutron reflectometry (NR) was used in this study to better understand the absorption and desorption properties of commercially promising hydrogen storage materials. The large negative scattering length of hydrogen atoms changes the reflectivity curve substantially, so that NR can determine the total amount of stored hydrogen as well as the hydrogen distribution along the film normal, with nanometer resolution. In order to use NR, the samples must have smooth surfaces, and the film thickness should range between 10 and 200 nm. Thin Mg{sub 1-x}Al{sub x} alloy films (x = 0.2, 0.3, 0.4, 0.67) capped with a palladium (Pd) catalyst layer were used in this study. The NR experiments revealed that Mg{sub 0.7}Al{sub 0.3} is the optimum composition for this binary alloy system, with the highest amount of stored hydrogen and the lowest desorption temperature. All the thin films expanded by approximately 20 percent due to hydrogen absorption. The hydrogen was stored only in the MgAl layer without any hydrogen in the Pd layer. It was concluded that NR can be used to effectively determine the hydrogen profile in thin MgAl films. 29 refs., 5 figs.

Deuterium desorption from tungsten using laser heating

Directory of Open Access Journals (Sweden)

J.H. Yu

2017-08-01

Full Text Available Retention and desorption of hydrogenic species need to be accurately modeled to predict the tritium inventory of next generation fusion devices, which is needed both for tritium fuel recovery and for tritium safety concerns. In this paper, experiments on thermal desorption of deuterium from intrinsic polycrystalline tungsten defects using laser heating are compared to TMAP-7 modeling. The samples during deuterium plasma exposure were at a temperature of 373K for this benchmark study with ion fluence of 0.7–1.0 ×1024Dm−2. Following plasma exposure, a fiber laser (λ= 1100nm heated the samples to peak surface temperatures ranging from ∼500 to 1400K with pulse widths from 10ms to 1s, and 1 to 10 pulses applied to each sample. The remaining deuterium retention was measured using temperature programmed desorption (TPD. Results show that > 95% of deuterium is desorbed when the peak surface temperature reached ∼950K for > 1s. TMAP-7 is used to predict deuterium desorption from tungsten for a range of surface temperatures and heating durations, and is compared to previous work on desorption from beryllium codeposits.

Hydrogen isotope inventory in the graphite divertor tiles of ASDEX Upgrade as measured by thermal desorption spectroscopy

International Nuclear Information System (INIS)

Franzen, P.; Behrisch, R.; Garcia-Rosales, C.; Schleussner, D.; Roesler, D.; Becker, J.; Knapp, W.; Edelmann, C.

1997-01-01

The hydrogen and deuterium inventories of the ASDEX Upgrade divertor tiles were measured after the experimental period from December 1994 to July 1995 by thermal desorption spectroscopy (TDS) of samples cut out of the divertor tiles. The samples were heated by electron bombardment up to 2100 K; the released gases were measured by means of a calibrated quadrupole mass spectrometer. The measured hydrogen or deuterium inventories are of the order of 10 23 m -2 . They are larger for samples of the inner divertor than of the outer divertor by a factor of about 2. The largest inventory was found at the separatrix position of the inner divertor. Most of the released hydrogen (H) can be attributed to water adsorbed in the near surface region during the air exposure prior to the TDS measurements. The total inventories measured by TDS exceed the inventories in the near surface region (< 25 μm) measured by ion beam analysis methods by a factor of up to 10. Hence, the total hydrogen retention is governed by the diffusion out of the near surface region deep into the material. The hydrogen and deuterium inventories decreased with increasing surface temperature. (author). 64 refs, 12 figs, 2 tabs

Effects of an electron beam on adsorption and desorption of ammonia on ruthenium (0001)

International Nuclear Information System (INIS)

Danielson, L.R.; Dresser, M.J.; Donaldson, E.E.; Sandstrom, D.R.

1978-01-01

The effects of an electron beam on ammonia adsorption and desorption on Ru(0001) have been investigated by Auger electron spectroscopy, low-energy electron diffraction, and thermal flash desorption. Appreciable adsorption at room temperature occurred only on the area of the Ru crystal which had been bombarded by an electron beam during dosing. The adsorption rate was a function of beam current density and ammonia pressure, and an apparent (2x2) diffraction pattern appeared in the area bombarded by the electron beam. Electron bombardment of the molecular γ states of ammonia followed by flash desorption showed that less ammonia and more hydrogen and nitrogen were desorbed as the bombardment time increased. An analysis of this process based on electron-induced dissociation of the ammonia molecule yielded an effective initial dissociation cross section of 3x10 -6 cm 2 . Hydrogen flash desorption spectra after bombardment of the γ states obeying first order kinetics with desorption energies of 0.78 and 1.0 eV. Electron bombardment of the γ states for short times produced the same effects on the ammonia flash desorption spectra as preadsorption of hydrogen. (Auth.)

Hydrogen behaviour study in plasma facing a-C:H and a-SiC:H hydrogenated amorphous materials for fusion reactors

International Nuclear Information System (INIS)

Barbier, Gauzelin

1997-01-01

Plasma facing components of controlled fusion test devices (tokamaks) are submitted to several constraints (irradiation, high temperatures). The erosion (physical sputtering and chemical erosion) and the hydrogen recycling (retention and desorption) of these materials influence many plasma parameters and thus affect drastically the tokamak running. Firstly, we will describe the different plasma-material interactions. It will be pointed out, how erosion and hydrogen recycling are strongly related to both chemical and physical properties of the material. In order to reduce this interactions, we have selected two amorphous hydrogenated materials (a-C:H and a-SiC:H), which are known for their good thermal and chemical qualities. Some samples have been then implanted with lithium ions at different fluences. Our materials have been then irradiated with deuterium ions at low energy. From our results, it is shown that both the lithium implantation and the use of an a-SiC:H substrate can be benefit in enhancing the hydrogen retention. These results were completed with thermal desorption studies of these materials. It was evidenced that the hydrogen fixation was more efficient in a -SiC:H than in a-C:H substrate. Results in good agreement with those described above have been obtained by exposing a-C:H and a-SiC:H samples to the scrape off layer of the tokamak of Varennes (TdeV, Canada). A modeling of hydrogen diffusion under irradiation has been also proposed. (author)

Improving of understanding of beta-hexachlorocyclohexane (HCH) adsorption on activated carbons by temperature-programmed desorption studies.

Science.gov (United States)

Passé-Coutrin, Nady; Maisonneuve, Laetitia; Durimel, Axelle; Dentzer, Joseph; Gadiou, Roger; Gaspard, Sarra

2016-01-01

In order to understand the interactions between beta-hexachlorocyclohexane (HCH) and chemical groups at activated carbon (AC) surface, the solid samples were hydrogenated aiming to decrease the amounts of oxygenated groups. Two AC samples designated by BagH2O and BagP1.5 were prepared by water vapor activation and phosphoric acid activation, respectively, of sugarcane bagasse used as an AC precursor. A more simple molecule 1,2,3-trichloropropane (TCP) is used as a model of chlorinated compound. The AC were characterized by infrared, X-ray photoelectron spectroscopy (XPS), Raman resonance spectroscopies, as well as temperature-programmed desorption coupled with mass spectrometry (TPD-MS). BagP1.5 and BagH2O AC surface contained oxygenated groups. Upon hydrogenation, a decrease of most of these group amxounts was observed for both samples, while hydroxyl groups increased. On the basis of temperature-programmed desorption data obtained for AC samples contaminated with TCP or HCH, it was possible to determine the type of hydrogen bond formed between each AC and HCH.

Hydrogen absorption-desorption at metal surfaces

International Nuclear Information System (INIS)

Ward, C.A.; Pataki, L.

1991-04-01

On the basis of experimental studies, it has been proposed that when zirconium oxide (ZrO 2 ) is exposed to hydrogen at 300 degrees C or higher, a reaction occurs to produce metallic zirconium and water, thereby increasing the electrical conductivity of the oxide film and its permeability to hydrogen. A series of experiments has been performed in which specimens of zirconium and zirconium-2.5% niobium were either hydrided or deuterided in a furnace at a temperature between 300 degrees C and 800 degrees C and in an atmosphere that consisted primarily of either hydrogen (H 2 ) or deuterium (D 2 ). After cooling a specimen to room temperature, it was placed in a thermogravimetric analyzer that was equipped with a mass spectrometer, TGA-MS. Each specimen was then heated to 1200 degrees C at a controlled rate in a primarily helium atmosphere monitored with the mass spectrometer. Light water (H 2 O) evolved from the hydrided specimens and heavy water (D 2 0) from the deuterided ones and there was a weight loss of the specimens that accompanied the water evolution. The specimens having approximately the same amount of hydride but more oxide also evolved more H 2 O, and that the H 2 O did not come from reactions between impurity H 2 and oxygen (O 2 ) in the TGA-MS. Heating a zirconium or zirconium alloy specimen that contains a hydride or deuteride phase within and an oxide layer on its surface causes the hydrogen to diffuse toward the surface and when it encounters the oxide a reaction follows that produces water. The conventional mechanism for the dissipation of the imperviousness of ZrO 2 to H 2 that results from the oxide being exposed to a reducing atmosphere will not explain the water production observed in these experiments. However, the existence of the proposed reaction can account for the elevated hydrogen concentration in an oxide film that has been observed to accompany the aqueous corrosion of zirconium and the effects on both the electrical conductivity and

Interaction of hydrogen with palladium clusters deposited on graphene

Energy Technology Data Exchange (ETDEWEB)

Alonso, Julio A.; Granja, Alejandra; Cabria, Iván; López, María J. [Departamento de Física Teórica, Atómica y Optica, Universidad de Valladolid, 47011 Valladolid (Spain)

2015-12-31

Hydrogen adsorption on nanoporous carbon materials is a promising technology for hydrogen storage. However, pure carbon materials do not meet the technological requirements due to the week binding of hydrogen to the pore walls. Experimental work has shown that doping with Pd atoms and clusters enhances the storage capacity of porous carbons. Therefore, we have investigated the role played by the Pd dopant on the enhancement mechanisms. By performing density functional calculations, we have found that hydrogen adsorbs on Pd clusters deposited on graphene following two channels, molecular adsorption and dissociative chemisorption. However, desorption of Pd-H complexes competes with desorption of hydrogen, and consequently desorption of Pd-H complexes would spoil the beneficial effect of the dopant. As a way to overcome this difficulty, Pd atoms and clusters can be anchored to defects of the graphene layer, like graphene vacancies. The competition between molecular adsorption and dissociative chemisorption of H{sub 2} on Pd{sub 6} anchored on a graphene vacancy has been studied in detail.

Interaction of hydrogen with palladium clusters deposited on graphene

Science.gov (United States)

Alonso, Julio A.; Granja, Alejandra; Cabria, Iván; López, María J.

2015-12-01

Hydrogen adsorption on nanoporous carbon materials is a promising technology for hydrogen storage. However, pure carbon materials do not meet the technological requirements due to the week binding of hydrogen to the pore walls. Experimental work has shown that doping with Pd atoms and clusters enhances the storage capacity of porous carbons. Therefore, we have investigated the role played by the Pd dopant on the enhancement mechanisms. By performing density functional calculations, we have found that hydrogen adsorbs on Pd clusters deposited on graphene following two channels, molecular adsorption and dissociative chemisorption. However, desorption of Pd-H complexes competes with desorption of hydrogen, and consequently desorption of Pd-H complexes would spoil the beneficial effect of the dopant. As a way to overcome this difficulty, Pd atoms and clusters can be anchored to defects of the graphene layer, like graphene vacancies. The competition between molecular adsorption and dissociative chemisorption of H2 on Pd6 anchored on a graphene vacancy has been studied in detail.

Testosterone sorption and desorption: Effects of soil particle size

Energy Technology Data Exchange (ETDEWEB)

Qi, Yong, E-mail: yqi01@unomaha.edu [Civil Engineering Dept., University of Nebraska-Lincoln at Omaha Campus, Omaha, NE 68182 (United States); Zhang, Tian C. [Civil Engineering Dept., University of Nebraska-Lincoln at Omaha Campus, Omaha, NE 68182 (United States); Ren, Yongzheng [School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China)

2014-08-30

Graphical abstract: - Highlights: • Smaller soil particles have higher sorption and lower desorption rates. • The sorption capacity ranks as clay > silt > sand. • Small particles like clays have less potential for desorption. • Colloids (clays) have high potential to facilitate the transport of hormones in soil–water environments. - Abstract: Soils contain a wide range of particles of different diameters with different mobility during rainfall events. Effects of soil particles on sorption and desorption behaviors of steroid hormones have not been investigated. In this study, wet sieve washing and repeated sedimentation methods were used to fractionate the soils into five ranges. The sorption and desorption properties and related mechanisms of testosterone in batch reactors filled with fractionated soil particles were evaluated. Results of sorption and desorption kinetics indicate that small soil particles have higher sorption and lower desorption rates than that of big ones. Thermodynamic results show the sorption processes are spontaneous and exothermal. The sorption capacity ranks as clay > silt > sand, depending mainly on specific surface area and surface functional groups. The urea control test shows that hydrogen bonding contributes to testosterone sorption onto clay and silt but not on sand. Desorption tests indicate sorption is 36–65% irreversible from clay to sand. Clays have highest desorption hysteresis among these five soil fractions, indicating small particles like clays have less potential for desorption. The results provide indirect evidence on the colloid (clay)-facilitated transport of hormones (micro-pollutants) in soil environments.

Activated aluminum hydride hydrogen storage compositions and uses thereof

Science.gov (United States)

Sandrock, Gary; Reilly, James; Graetz, Jason; Wegrzyn, James E.

2010-11-23

In one aspect, the invention relates to activated aluminum hydride hydrogen storage compositions containing aluminum hydride in the presence of, or absence of, hydrogen desorption stimulants. The invention particularly relates to such compositions having one or more hydrogen desorption stimulants selected from metal hydrides and metal aluminum hydrides. In another aspect, the invention relates to methods for generating hydrogen from such hydrogen storage compositions.

Gas desorption properties of ammonia borane and metal hydride composites

International Nuclear Information System (INIS)

Matin, M.R.

2009-01-01

'Full text': Ammonia borane (NH 3 BH 3 ) has been of great interest owing to its ideal combination of low molecular weight and high H 2 storage capacity of 19.6 mass %, which exceeds the current capacity of gasoline. DOE's year 2015 targets involve gravimetric as well as volumetric energy densities. In this work, we have investigated thermal decomposition of ammonia borane and calcium hydride composites at different molar ratio. The samples were prepared by planetary ball milling under hydrogen gas atmosphere pressure of 1Mpa at room temperature for 2, and 10 hours. The gas desorption properties were examined by thermal desorption mass spectroscopy (TDMS). The identification of phases was carried out by X-ray diffraction. The results obtain were shown in fig (a),(b),and (c). Hydrogen desorption properties were observed at all molar ratios, but the desorption temperature is significantly lower at around 70 o C at molar ratio 1:1 as shown in fig (c), and unwanted gas (ammonia) emissions were remarkably suppressed by mixing with the calcium hydride. (author)

A systematic neutron reflectometry study on hydrogen absorption in thin Mg{sub 1-x}Al{sub x} alloy films

Energy Technology Data Exchange (ETDEWEB)

Fritzsche, H.; Poirier, E., E-mail: helmut.fritzsche@nrc.gc.ca [National Research Council Canada, Canadian Neutron Beam Centre, Chalk River, ON (Canada); Haagsma, J.; Ophus, C.; Luber, E.; Harrower, C.; Mitlin, D. [Univ. of Alberta, and National Research Council Canada, Chemical and Materials Engineering, Edmonton, AB (Canada)

2010-10-15

In this article, we show how neutron reflectometry (NR) can provide deep insight into the absorption and desorption properties of commercially promising hydrogen storage materials. NR benefits from the large negative scattering length of hydrogen atoms, which changes the reflectivity curve substantially, so that NR can determine not only the total amount of stored hydrogen but also the hydrogen distribution along the film normal, with nanometer resolution. To use NR, the samples must have smooth surfaces, and the film thickness should range between 10 and 200 nm. We performed a systematic study on thin Mg{sub 1-x}Al{sub x} alloy films (x = 0.2, 0.3, 0.4, 0.67) capped with a Pd catalyst layer. Our NR experiments showed that Mg{sub 0.7}Al{sub 0.3} is the optimum alloy composition with the highest amount of stored hydrogen and the lowest desorption temperature. All the thin films expand by about 20% because of hydrogen absorption, and the hydrogen is stored only in the MgAl layer with no hydrogen content in the Pd layer. (author)

Hydrogen storage material and process using graphite additive with metal-doped complex hydrides

Science.gov (United States)

Zidan, Ragaiy [Aiken, SC; Ritter, James A [Lexington, SC; Ebner, Armin D [Lexington, SC; Wang, Jun [Columbia, SC; Holland, Charles E [Cayce, SC

2008-06-10

A hydrogen storage material having improved hydrogen absorbtion and desorption kinetics is provided by adding graphite to a complex hydride such as a metal-doped alanate, i.e., NaAlH.sub.4. The incorporation of graphite into the complex hydride significantly enhances the rate of hydrogen absorbtion and desorption and lowers the desorption temperature needed to release stored hydrogen.

Gas desorption during friction of amorphous carbon films

International Nuclear Information System (INIS)

Rusanov, A; Fontaine, J; Martin, J-M; Mogne, T L; Nevshupa, R

2008-01-01

Gas desorption induced by friction of solids, i.e. tribodesorption, is one of the numerous physical and chemical phenomena, which arise during friction as result of thermal and structural activation of material in a friction zone. Tribodesorption of carbon oxides, hydrocarbons, and water vapours may lead to significant deterioration of ultra high vacuum conditions in modern technological equipment in electronic, optoelectronic industries. Therefore, knowledge of tribodesorption is crucial for the performance and lifetime of vacuum tribosystems. Diamond-like carbon (DLC) coatings are interesting materials for vacuum tribological systems due to their high wear resistance and low friction. Highly hydrogenated amorphous carbon (a-C:H) films are known to exhibit extremely low friction coefficient under high vacuum or inert environment, known as 'superlubricity' or 'superlow friction'. However, the superlow friction period is not always stable and then tends to spontaneous transition to high friction. It is supposed that hydrogen supply from the bulk to the surface is crucial for establishing and maintaining superlow friction. Thus, tribodesorption can serve also as a new technique to determine the role of gases in superlow friction mechanisms. Desorption of various a-C:H films, deposited by PECVD, ion-beam deposition and deposition using diode system, has been studied by means of ultra-high vacuum tribometer equipped with a mass spectrometer. It was found that in superlow friction period desorption rate was below the detection limit in the 0-85 mass range. However, transition from superlow friction to high friction was accompanied by desorption of various gases, mainly of H 2 and CH 4 . During friction transition, surfaces were heavily damaged. In experiments with DLC films with low hydrogen content tribodesorption was significant during the whole experiment, while low friction was not observed. From estimation of maximum surface temperature during sliding contact it

A study on hydrogen adsorption behaviors of open-tip carbon nanocones

International Nuclear Information System (INIS)

Liao Mingliang

2012-01-01

Hydrogen adsorption behaviors of single-walled open-tip (tip-truncated) carbon nanocones (CNCs) with apex angles of 19.2° at temperatures of 77 and 300 K were investigated by the molecular dynamics simulations. Four nanomaterials (including three CNCs with different dimensions and a reference CNT) were analyzed to examine the hydrogen adsorption behaviors and influences of cone sharpness on the behaviors of the CNCs. Physisorption of hydrogen molecules could be observed from the distribution pattern of the hydrogen molecules adsorbed on the nanomaterials. Because of the cone geometry effect, the open-tip CNCs could have larger storage weight percentage and less desorption of hydrogen molecules (caused by the temperature growth) on their outer surfaces, as compared with those of the reference CNT. The hydrogen molecules inside the CNCs and the reference CNT, however, were noted to have similar desorption behaviors owing to the confinement effects from the structures of the nanomaterials. In addition, the sharper CNC could have higher storage weight percentage but the cone sharpness does not have evident enhancement in the average adsorption energy of the CNC. Combination of confinement and repulsion effects existing near the tip region of the CNC would be responsible for the non-enhancement feature.

Report on the results of the FY 1998 hydrogen utilization international clean energy system technology (WE-NET). Subtask 5. Survey on the R and D of technologies for hydrogen transport and storage by hydrogen absorbing alloys (V. Development of the distributed transport/storage use hydrogen absorbing alloys); 1998 nendo suiso riyo kokusai clean energy system gijutsu (WE-NET). 5. Suiso yuso chozo gijutsu no kaihatsu (V. bunsan yuso chozoyo suiso kyuzo gokin no kaihatsu)

Energy Technology Data Exchange (ETDEWEB)

NONE

1999-03-01

The paper described the FY 1998 results of the development of hydrogen distributed transport/storage use absorbing alloys in the WE-NET project. Study was made of improvement of hydrogen desorption characteristics by substituting Ca for part of Mg of Mg-Ni alloys and substituting Cr for part of Ni. It is necessary to shift the state of atomic bond by H atom and metal atom in alloys from the ionic bond to the metallic bond, and to change from the amorphous state to the BCC type crystal structure. It was found out that it was possible to do it by improving the composition and heat treatment. The addition of Cu to LaMg{sub 2} alloys shifts the bond with hydrogen to the bond with metal. Easy hydrogen desorption and large absorbing capacity can be expected. It was found out that LaMg{sub 2}Cu{sub 2} synthesized by the reaction sintering method has reversible hydrogen absorbing desorption characteristics. The absorbing amount is 2.4 wt%, the desorption amount 1.2 wt%, and the desorption temperature 190 degrees C. Those are still far from WE-NET targeted values, but a clue to the search was obtained. It was found out that by applying doping technology by Ti, etc. to NaAlH{sub 4}, characteristics can be expected of the desorption amount, 4.5 wt%, of the hydrogen desorption starting temperature from 100 degrees C to 200 degrees C. (NEDO)

Study of the hydrogen behavior in amorphous hydrogenated materials of type a - C:H and a - SiC:H facing fusion reactor plasma

International Nuclear Information System (INIS)

Barbier, G.

1997-01-01

Plasma facing components of controlled fusion test devices (tokamaks) are submitted to several constraints (irradiation, high temperatures). The erosion (physical sputtering and chemical erosion) and the hydrogen recycling (retention and desorption) of these materials influence many plasma parameters and thus affect drastically the tokamak running. First, we will describe the different plasma-material interactions. It will be pointed out, how erosion and hydrogen recycling are strongly related to both chemical and physical properties of the material. In order to reduce these interactions, we have selected two amorphous hydrogenated materials (a-C:H and a-SiC:H), which are known for their good thermal and chemical qualities. Some samples have been then implanted with lithium ions at different fluences. Our materials have been then irradiated with deuterium ions at low energy. From our results, it is shown that both the lithium implantation and the use of an a - SiC:H substrate can be beneficial in enhancing the hydrogen retention. These results were completed with thermal desorption studies of these materials. It was evidenced that the hydrogen fixation was more efficient in a-SiC:H than in a-C:H substrate. Results in good agreement with those described above have been obtained by exposing a - C:H and a - SiC:H samples to the scrape off layer of the tokamak of Varennes (TdeV, Canada). A modelling of hydrogen diffusion under irradiation has been also proposed. (author)

An infrared measurement of chemical desorption from interstellar ice analogues

Science.gov (United States)

Oba, Y.; Tomaru, T.; Lamberts, T.; Kouchi, A.; Watanabe, N.

2018-03-01

In molecular clouds at temperatures as low as 10 K, all species except hydrogen and helium should be locked in the heterogeneous ice on dust grain surfaces. Nevertheless, astronomical observations have detected over 150 different species in the gas phase in these clouds. The mechanism by which molecules are released from the dust surface below thermal desorption temperatures to be detectable in the gas phase is crucial for understanding the chemical evolution in such cold clouds. Chemical desorption, caused by the excess energy of an exothermic reaction, was first proposed as a key molecular release mechanism almost 50 years ago1. Chemical desorption can, in principle, take place at any temperature, even below the thermal desorption temperature. Therefore, astrochemical network models commonly include this process2,3. Although there have been a few previous experimental efforts4-6, no infrared measurement of the surface (which has a strong advantage to quantify chemical desorption) has been performed. Here, we report the first infrared in situ measurement of chemical desorption during the reactions H + H2S → HS + H2 (reaction 1) and HS + H → H2S (reaction 2), which are key to interstellar sulphur chemistry2,3. The present study clearly demonstrates that chemical desorption is a more efficient process for releasing H2S into the gas phase than was previously believed. The obtained effective cross-section for chemical desorption indicates that the chemical desorption rate exceeds the photodesorption rate in typical interstellar environments.

Thermodesorption examination of interaction of hydrogen with traps in silver

International Nuclear Information System (INIS)

Gabis, I.E.; Kurdyumov, A.A.; Ovsvannikova, T.A.

1992-01-01

The authors have previously examined the interaction of hydrogen with silver by the methods of thermal desorption spectrometry (TDS) and hydrogen permeability. The results showed that the TDS spectra contained a high-temperature phase linked with hydrogen which left the volume of the specimen during heating. It was assumed that hydrogen was captured and released by structural defects acting as traps. These traps can be represented by vacancies and their clusters. In this work, the high-temperature desorption of hydrogen from silver was studied. The experimental setup consisted of an all-metal vacuum system, a time-of-flight mass spectrometer, a DVK-2M computing system, and a Camac system. The described model of a local equilibrium should be regarded only as a first approximation. The results provide unambiguous information on the processes of permeability and desorption, and make it possible to assume that the formation of the high-temperature phase in TD spectra was caused by the generation of hydrogen from the traps. The parameters of the interaction of hydrogen with the traps were determined by the concentration wave method. 7 refs., 2 figs

Studies of the effects of TiCl{sub 3} in LiBH{sub 4}/CaH{sub 2}/TiCl{sub 3} reversible hydrogen storage system

Energy Technology Data Exchange (ETDEWEB)

Liu Dongan [Ford Motor Company, Research and Advanced Engineering, MD 1170/RIC, Dearborn, MI 48121 (United States); Department of Mechanical Engineering, University of Michigan, 1023 H. H. Dow Building 2350 Hayward Street, Ann Arbor, MI 48109-2125 (United States); Yang Jun, E-mail: jyang27@ford.com [Ford Motor Company, Research and Advanced Engineering, MD 1170/RIC, Dearborn, MI 48121 (United States); Ni Jun [Department of Mechanical Engineering, University of Michigan, 1023 H. H. Dow Building 2350 Hayward Street, Ann Arbor, MI 48109-2125 (United States); Drews, Andy [Ford Motor Company, Research and Advanced Engineering, MD 1170/RIC, Dearborn, MI 48121 (United States)

2012-02-15

Highlights: Black-Right-Pointing-Pointer We systematically studied the effects of TiCl{sub 3} in LiBH{sub 4}/CaH{sub 2}/TiCl{sub 3} hydrogen storage system. Black-Right-Pointing-Pointer It is found that adding 0.25 TiCl{sub 3} produces fully reversible hydrogen absorption and desorption and a lower desorption temperature. Black-Right-Pointing-Pointer LiCl experiences four different states, i.e. 'formed-solid solution-molten solution-precipitation', in the whole desorption process of the system. Black-Right-Pointing-Pointer The incorporation of LiCl into LiBH{sub 4} forms more viscous molten LiBH{sub 4}{center_dot}LiCl, leading to fast kinetics. Black-Right-Pointing-Pointer The precipitation and re-incorporation of LiCl into LiBH{sub 4} lead to a fully reversible complex hydrogen storage system. - Abstract: In the present study, the effects of TiCl{sub 3} on desorption kinetics, absorption/desorption reversibility, and related phase transformation processes in LiBH{sub 4}/CaH{sub 2}/TiCl{sub 3} hydrogen storage system was studied systematically by varying its concentration (x = 0, 0.05, 0.15 and 0.25). The results show that LiCl forms during ball milling of 6LiBH{sub 4}/CaH{sub 2}/xTiCl{sub 3} and that as temperature increases, o-LiBH{sub 4} transforms into h-LiBH{sub 4}, into which LiCl incorporates, forming solid solution of LiBH{sub 4}{center_dot}LiCl, which melts above 280 Degree-Sign C. Molten LiBH{sub 4}{center_dot}LiCl is more viscous than molten LiBH{sub 4}, preventing the clustering of LiBH{sub 4} and the accompanied agglomeration of CaH{sub 2}, and thus preserving the nano-sized phase arrangement formed during ball milling. Above 350 Degree-Sign C, the molten solution LiBH{sub 4}{center_dot}LiCl further reacts with CaH{sub 2}, precipitating LiCl. The main hydrogen desorption reaction is between molten LiBH{sub 4}{center_dot}LiCl and CaH{sub 2} and not between molten LiBH{sub 4} and CaH{sub 2}. This alters the hydrogen reaction thermodynamics and

Hydrogen Sorption Performance of Pure Magnesium during Continued Cycling

DEFF Research Database (Denmark)

Vigeholm, B.; Kjøller, John; Larsen, B.

1983-01-01

Preliminary investigations of the hydrogen absorption - desorption by commercially pure magnesium powder under continuous operation show little or no reduction in hydrogen capacity up to 70 cycles and high temperature exposure exceeding 1200 h. Absorption was studied at 260°–425°C and hydrogen...

Desorption process of hydrogen starting from the Mg{sub 2}NiH{sub 4} and Mg{sub 2}NiH{sub 0.3}; Proceso de desorcion de hidrogeno a partir del hidruro intermetalico Mg{sub 2}NiH{sub 4} y Mg{sub 2}NiH{sub 0.3}

Energy Technology Data Exchange (ETDEWEB)

Iturbe G, J.L.; Basurto S, R.; Lopez M, B.E. [Departamento de Quimica, ININ, A.P. 18-1027, 11801 Mexico D.F. (Mexico)

2002-07-01

In this work the desorption velocity of H{sub 2} was determined starting from the magnesium nickel hydride once the reaction between the intermetallic and the hydrogen was realized, the compound were analysed by means of a thermogravimetric equipment, the conditions for carrying out the analysis were: 10 C by minute in nitrogen atmosphere at a volume of 50 ml by minute, subsequently the isotherms at different times were programmed and the desorption velocity of hydrogen was determined. The results show that the desorption velocity of hydrogen depends of the temperature, using only the nitrogen flux which acts as a carrier gas. Observing that the hydrogen liberation is carried out by means of two mechanisms according to the isotherms obtained. (Author)

Thermal desorption study of physical forces at the PTFE surface

Science.gov (United States)

Wheeler, D. R.; Pepper, S. V.

1987-01-01

Thermal desorption spectroscopy (TDS) of the polytetrafluoroethylene (PTFE) surface was successfully employed to study the possible role of physical forces in the enhancement of metal-PTFE adhesion by radiation. The thermal desorption spectra were analyzed without assumptions to yield the activation energy for desorption over a range of xenon coverage from less than 0.1 monolayer to more than 100 monolayers. For multilayer coverage, the desorption is zero-order with an activation energy equal to the sublimation energy of xenon. For submonolayer coverages, the order for desorption from the unirradiated PTFE surface is 0.73 and the activation energy for desorption is between 3.32 and 3.36 kcal/mol; less than the xenon sublimation energy. The effect of irradiation is to increase the activation energy for desorption to as high as 4 kcal/mol at low coverage.

Release enhancement of tritium from graphite by addition of hydrogen

International Nuclear Information System (INIS)

Saeki, Masakatsu; Masaki, N.M.

1989-01-01

The release behavior of tritium from graphite was studied in pure He and He + H 2 atmosphere. The release from powdered graphite was significantly enhanced in hydrogen environment. Apparent diffusion coefficients of tritium in graphite also became much higher in an atmosphere containing hydrogen than values obtained in pure helium atmosphere. A careful investigation of the release processes resulted in the conclusion that the most important process of tritium behaviour in graphite was diffusion, but the desorption process of tritium from the surface played a significant role. The enhancement of the desorption process was controlled by atomic hydrogen. (orig.)

New vistas in the determination of hydrogen in aerospace engine metal alloys

Science.gov (United States)

Danford, M. D.

1986-01-01

The application of diffusion theory to the analysis of hydrogen desorption data has been studied. From these analyses, important information concerning hydrogen solubilities and the nature of the hydrogen distributions in the metal has been obtained. Two nickel base alloys, Rene' 41 and Waspaloy, and one ferrous alloy, 4340 steel, were studied in this work. For the nickel base alloys, it was found that the hydrogen distributions after electrolytic charging conformed closely to those which would be predicted by diffusion theory. The hydrogen distributions in electrolytically charged 4340 steel, on the other hand, were essentially uniform in nature, which would not be predicted by diffusion theory. Finally, it has been found that the hydrogen desorption is completely explained by the nature of the hydrogen distribution in the metal, and that the 'fast' hydrogen is not due to surface and subsurface hydride formation, as was originally proposed.

Ultrafine hydrogen storage powders

Science.gov (United States)

Anderson, Iver E.; Ellis, Timothy W.; Pecharsky, Vitalij K.; Ting, Jason; Terpstra, Robert; Bowman, Robert C.; Witham, Charles K.; Fultz, Brent T.; Bugga, Ratnakumar V.

2000-06-13

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

Hydrogen storage in complex hydrides

International Nuclear Information System (INIS)

Lupu, D.; Biris, A. R.; Misan, I.

2005-01-01

AlH 4 with some hydrogen absorbing alloys and carbon nanofibers are reported. A specially designed vial for the planetary mill was used which allows the in situ study of the ball milling effects on the desorption characteristics. So, additional contamination of the sample surface which could arise during a handling step in a glove box was avoided. The results are comparable with the literature data, showing reversible storage capacities of 4.1% H. The results on LiAlH 4 are also reported and discussed comparatively. Reversible absorption/desorption cycles were performed on NaAlH 4 while LiAlH 4 could not be rehydrogenated. The results are compared with the literature data on alanates and suggest some new directions of research to find new materials with improved hydrogen storage capacity. (authors)

Study of chlordecone desorption from activated carbons and subsequent dechlorination by reduced cobalamin.

Science.gov (United States)

Ranguin, Ronald; Durimel, Axelle; Karioua, Reeka; Gaspard, Sarra

2017-11-01

Since 1972, the French departments of Guadeloupe and Martinique have intensively used organochlorinated pesticides such as chlordecone (CLD) and hexachlorocyclohexane (HCH) isomers to prevent the proliferation of banana weevil (Cosmopolite sordidus). These molecules are stable in the environment, leading to a continuous contamination of soils, water, and food chain in the banana-producing areas. In these polluted areas, water treatment plants are equipped with activated carbon (AC) filters. In order to improve treatment of CLD-contaminated waters by AC, CLD adsorption and desorption kinetic studies are carried out using different ACs produced from sugar cane bagasse as adsorbents and subsequent CLD degradation is performed using reduced vitamin B12 (VB12). A GC-MS method for CLD quantification is as well optimized. This study shows that bagasse ACs are able to capture the pollutant, leading to a CLD concentration decrease from 1 to 73 μg L -1 , with an adsorption capacity of 162 μg mg -1 . Adsorption capacity increase with the temperature indicates an endothermic process. Polar solvents favor CLD desorption from ACs, suggesting hydrogen bonding between CLD and surface groups of ACs, the best solvent for chemical desorption being ethanol. Subsequent degradation of CLD in ethanol is performed using vitamin B12 reduced by either 1,4-dithiotreitol (DTT) or zerovalent zinc, leading to 90% of CLD removal and to the molecule cage structure opening for formation of a pentachloroindene intermediate product, characterized by GC MS/MS. A pathway for pentachloroindene formation from CLD is proposed.

Metal Hydride Nanoparticles with Ultrahigh Structural Stability and Hydrogen Storage Activity Derived from Microencapsulated Nanoconfinement.

Science.gov (United States)

Zhang, Jiguang; Zhu, Yunfeng; Lin, Huaijun; Liu, Yana; Zhang, Yao; Li, Shenyang; Ma, Zhongliang; Li, Liquan

2017-06-01

Metal hydrides (MHs) have recently been designed for hydrogen sensors, switchable mirrors, rechargeable batteries, and other energy-storage and conversion-related applications. The demands of MHs, particular fast hydrogen absorption/desorption kinetics, have brought their sizes to nanoscale. However, the nanostructured MHs generally suffer from surface passivation and low aggregation-resisting structural stability upon absorption/desorption. This study reports a novel strategy named microencapsulated nanoconfinement to realize local synthesis of nano-MHs, which possess ultrahigh structural stability and superior desorption kinetics. Monodispersed Mg 2 NiH 4 single crystal nanoparticles (NPs) are in situ encapsulated on the surface of graphene sheets (GS) through facile gas-solid reactions. This well-defined MgO coating layer with a thickness of ≈3 nm efficiently separates the NPs from each other to prevent aggregation during hydrogen absorption/desorption cycles, leading to excellent thermal and mechanical stability. More interestingly, the MgO layer shows superior gas-selective permeability to prevent further oxidation of Mg 2 NiH 4 meanwhile accessible for hydrogen absorption/desorption. As a result, an extremely low activation energy (31.2 kJ mol -1 ) for the dehydrogenation reaction is achieved. This study provides alternative insights into designing nanosized MHs with both excellent hydrogen storage activity and thermal/mechanical stability exempting surface modification by agents. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Reduction of hydrogen desorption temperature of ball-milled MgH2 by NbF5 addition

International Nuclear Information System (INIS)

Recham, N.; Bhat, V.V.; Kandavel, M.; Aymard, L.; Tarascon, J.-M.; Rougier, A.

2008-01-01

Enhanced sorption properties of ball-milled MgH 2 are reported by adding NbF 5 . Among various catalyst amounts, 2 mol% of NbF 5 reveals to be the optimum concentration leading to significant reduction of the desorption temperature as well as faster kinetics of ball-milled MgH 2 . At 200 deg. C, temperature at which MgH 2 does not show any activity, MgH 2NbF 5 /2mol% composite desorbs 3.2 wt.% of H 2 in 50 mins. Interestingly, the addition of NbF 5 is also associated with an increase in the desorption pressure. At 300 deg. C, MgH 2NbF 5 /2mol% composite starts to desorb hydrogen at 600 mbar in comparison with 1 mbar for MgH 2 . Further improvements were successfully achieved by pre-grinding NbF 5 prior to ball-milling the catalyst with MgH 2 . Such pre-ground NbF 5 catalyzed MgH 2 composite desorbs 3 wt.% of H 2 at 150 deg. C. Improved properties are associated with smaller activation energies down to values close to the enthalpy of formation of MgH 2 . Finally, the mechanism at the origin of the enhancement is discussed in terms of catalyst stability, MgF 2 formation and electronic density localization

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.

Density Functional Theory Study of the Interaction of Hydrogen with Li6C60.

Science.gov (United States)

Wang, Qian; Jena, Puru

2012-05-03

Hydrogen storage properties of Li-coated C60 fullerene have been studied using density functional theory within the local density as well as generalized gradient approximation. Hydrogen atoms are found to bind to Li6C60 in two distinct forms, with the first set attaching to C atoms, not linked to Li, in atomic form. Once all such C atoms are saturated with hydrogen, the second set of hydrogen atoms bind quasi-molecularly to the Li atoms, five of which remain in the exohedral and the sixth in the endohedral position. The corresponding hydrogen gravimetric density in Li6C60H40 is 5 wt %. Desorption of hydrogen takes place in succession, the ones bound quasi-molecularly desorbing at a temperature lower than the ones bound atomically. The results are compared with the recent experiment on hydrogen adsorption in Li6C60.

The effects of low fugacity hydrogen in duplex- and beta-annealed Ti-6Al-4V alloy

International Nuclear Information System (INIS)

Tal-Gutelmacher, E.; Eliezer, D.; Eylon, D.

2004-01-01

Due to its excellent combination of a high strength/weight ratio and good corrosion behavior, Ti-6Al-4V alloys are ranked among the most important advanced materials for a variety of aerospace, chemical engineering, biomaterials, marine and commercial applications. However, in many of these technological applications, this alloy is exposed to environments which can act as sources of hydrogen, and severe problems may arise based on its susceptibility to hydrogen embrittlement. Even small hydrogen concentrations might lead to failure. Consequently, a comprehensive knowledge of hydrogen-trapping interactions is necessary to better understand the trapping mechanisms, the types of the trap sites, the trapped hydrogen content, in order to determine the safe service conditions of this alloy in the aerospace industry. The objective of this paper is to investigate the role of microstructure on hydrogen absorption/desorption behavior in Ti-6Al-4V alloy, with specific emphasis on the nature of the interaction between microstructural traps and hydrogen atoms. The effect of low fugacity hydrogen on the microstructure is studied using X-ray diffraction (XRD), and electron microscopy (SEM and TEM), while the absorption and desorption characteristics are determined by means of a hydrogen determinator and thermal desorption spectroscopy (TDS), respectively. The role of microstructure on hydrogen absorption and desorption behavior is discussed in detail

Electron beam exposure mechanisms in hydrogen silsesquioxane investigated by vibrational spectroscopy and in-situ electron beam induced desorption

Energy Technology Data Exchange (ETDEWEB)

Olynick, D.L.; Cord, B.; Schipotinin, A.; Ogletree, D.F.; Schuck, P.J.

2009-11-13

Hydrogen Silsesquioxane (HSQ) is used as a high-resolution resist with resolution down below 10nm half-pitch. This material or materials with related functionalities could have widespread impact in nanolithography and nanoscience applications if the exposure mechanism was understood and instabilities controlled. Here we have directly investigated the exposure mechanism using vibrational spectroscopy (both Raman and Fourier transform Infrared) and electron beam desorption spectrocscopy (EBDS). In the non-networked HSQ system, silicon atoms sit at the corners of a cubic structure. Each silicon is bonded to a hydrogen atom and bridges 3 oxygen atoms (formula: HSiO3/2). For the first time, we have shown, via changes in the Si-H2 peak at ~;;2200 cm -1 in the Raman spectra and the release of SiHx products in EBID, that electron-bam exposed materials crosslinks via a redistribution reaction. In addition, we observe the release of significantly more H2 than SiH2 during EBID, which is indicative of additional reaction mechanisms. Additionally, we compare the behavior of HSQ in response to both thermal and electron-beam induced reactions.

Li-Al-borohydride as a potential candidate for on-board hydrogen storage

Energy Technology Data Exchange (ETDEWEB)

Lindemann, Inge; Domenech Ferrer, Roger; Dunsch, Lothar; Schultz, Ludwig; Gutfleisch, Oliver [IFW Dresden, PO Box 270016, D-01171 Dresden (Germany); Filinchuk, Yaroslav [Swiss-Norwegian Beam Lines at ESRF, BP-220, 38043 Grenoble (France); Hagemann, Hans; Cerny, Radovan [University of Geneva, Crystallography and Physical Chemistry Department, 1211 Geneva (Switzerland)

2010-07-01

Recently, double-cation borohydride systems have attracted great interest. It was found that the desorption temperature of the borohydrides decreases with increasing electronegativity of the cation. Consequently, it is possible to tailor a feasible on-board hydrogen storage material by combination of appropriate cations. Li-Al-borohydride shows a desorption temperature suitable for applications ({approx} 70 C) combined with an high hydrogen density (17.2 wt.%). It was synthesised via high energy ball milling of AlCl{sub 3} and LiBH{sub 4}. The structure of the compound was obtained from high-resolution synchrotron powder diffraction and shows a unique complex structure within the borohydrides. The material was characterized by means of in-situ-Raman, DSC, TG and thermal desorption measurements to study its decomposition pathway. The desorption at {approx} 70 C results in the formation of LiBH{sub 4} while the high mass loss of about 20% points to the release of not only hydrogen but also diborane. This is right now the main drawback for applications because it hinders reversibility.

Study of heterogeneous catalytic processes over cobalt, molybdenum and cobalt-molybdenum catalysts supported on alumina by temperature-programmed desorption and temperature-programmed reaction. 1. Adsorption of hydrozen

International Nuclear Information System (INIS)

Rozanov, V.V.; Tsao Yamin; Krylov, O.V.

1996-01-01

Hydrogen adsorption on reduced, sulphidized and reoxidized specimens of molybdenum-and cobalt-molybdenum-containing catalysts applied on aluminium oxide has been studied by the method of thermal desorption (TD). Comparison of TD spectra of hydrogen and data of X-ray phase analysis of the specimens and mass-spectrometric analysis of the products desorbed from the surface of catalysts after their successive reduction sulphidizing, carbonizing and reoxidation permitted a correlation between various forms of hydrogen adsorption and certain centres on the surface of the catalysts. 12 refs., 2 figs

Sorption and desorption of diuron in Oxisol under biochar application

Directory of Open Access Journals (Sweden)

Fabiano André Petter

Full Text Available ABSTRACT The objective of this study was to verify the kinetics of sorption and desorption of diuron in an Oxisol under application of biochar. The samples were collected in a field experiment conducted in randomized design blocks consisted of 2 base fertilization levels (0 and 400 kg∙ha−1 NPK 00-20-20 fertilizer formula and 3 doses of biochar (0, 8 and 16 Mg∙ha−1. In the evaluation of sorption and desorption, Batch Equilibrium method was used. The kinetics of sorption and desorption of diuron, total organic carbon, fulvic acid, humic acid and humin, pH and partition coefficient to organic carbon were evaluated. The Freundlich isotherm was adjusted appropriately to describe diuron sorption kinetics in all the studied treatments. The application of biochar provided increment in the sorption (Kf and reduction in the desorption of diuron in 64 and 44%, respectively. This effect is attributed to the biochar contribution to the total organic carbon and C-humin and of these to diuron through hydrophobic interactions and hydrogen bonds. The positive correlation between the partition coefficient to organic carbon and Kf confirms the importance of soil organic compartment in the sorption of diuron. There was no competition of NPK fertilizer for the same sorption site of diuron. The increase and reduction in sorption and desorption, respectively, show that the application of biochar is an important alternative for the remediation of soil leaching of diuron, especially in sandy soils.

Computational study of pristine and titanium-doped sodium alanates for hydrogen storage applications

Science.gov (United States)

Dathar, Gopi Krishna Phani

The emphasis of this research is to study and elucidate the underlying mechanisms of reversible hydrogen storage in pristine and Ti-doped sodium aluminum hydrides using molecular modeling techniques. An early breakthrough in using complex metal hydrides as hydrogen storage materials is from the research on sodium alanates by Bogdanovic et al., in 1997 reporting reversible hydrogen storage is possible at moderate temperatures and pressures in transition metal doped sodium alanates. Anton reported titanium salts as the best catalysts compared to all other transition metal salts from his further research on transition metal doped sodium alanates. However, a few questions remained unanswered regarding the role of Ti in reversible hydrogen storage of sodium alanates with improved thermodynamics and kinetics of hydrogen desorption. The first question is about the position of transition metal dopants in the sodium aluminum hydride lattice. The position is investigated by identifying the possible sites for titanium dopants in NaAlH4 lattice and studying the structure and dynamics of possible compounds resulting from titanium doping in sodium alanates. The second question is the role of titanium dopants in improved thermodynamics of hydrogen desorption in Ti-doped NaAlH4. Though it is accepted in the literature that formation of TiAl alloys (Ti-Al and TiAl3) is favorable, reaction pathways are not clearly established. Furthermore, the source of aluminum for Ti-Al alloy formation is not clearly understood. The third question in this area is the role of titanium dopants in improved kinetics of hydrogen absorption and desorption in Ti-doped sodium alanates. This study is directed towards addressing the three longstanding questions in this area. Thermodynamic and kinetic pathways for hydrogen desorption in pristine NaAlH4 and formation of Ti-Al alloys in Ti-doped NaAlH 4, are elucidated to understand the underlying mechanisms of hydrogen desorption. Density functional theory

Hydrogen storage thermodynamics and kinetics of LaMg11Ni + x wt.% Ni (x = 100, 200) alloys synthesized by mechanical milling

International Nuclear Information System (INIS)

Zhang, Yanghuan; Jia, Zhichao; Central Iron and Steel Research Institute, Beijing; Yuan, Zeming; Qi, Yan; Zhao, Dongliang; Hou, Zhonghui

2016-01-01

LaMg 11 Ni + x wt.% Ni (x = 100, 200) composite hydrogen storage alloys with a nanocrystalline/amorphous structure were synthesized using ball milling technology. The effects of Ni content and milling time on hydrogen storage thermodynamics and dynamics of the alloys were investigated systematically. The hydrogen desorption properties were assessed using a Sieverts apparatus and differential scanning calorimetry. The thermodynamic parameters for the hydrogen absorption and desorption were calculated using the Van't Hoff equation. The hydrogen desorption activation energies of the hydrogenated alloys were also estimated by Arrhenius and Kissinger methods. Results indicate that the amount of Ni added has no effect on the thermodynamics of the alloys, but it significantly improves their absorption and desorption kinetics. Furthermore, the milling time has a great influence on the hydrogen storage properties. To be specific, the hydrogen absorption capacities reach the maximum values with the variation of milling time, and the hydrogen desorption activation energy obviously decreases with increasing milling time.

Functional nanometers for hydrogen storage produced by ball milling

Energy Technology Data Exchange (ETDEWEB)

Czujko, T. [Waterloo Univ., ON (Canada). Dept. of Mechanical and Mechatronics Engineering]|[Military Univ. of Technology, Warsaw (Poland). Dept. of Advanced Materials and Technologies; Varin, R.A. [Waterloo Univ., ON (Canada). Dept. of Mechanical and Mechatronics Engineering; Wronski, Z.S. [Natural Resources Canada, Ottawa, ON (Canada). CANMET Energy Technology Centre, Hydrogen Fuel Cells and Transportation; Zaranski, Z. [Military Univ. of Technology, Warsaw (Poland). Dept. of Advanced Materials and Technologies

2008-07-01

It is becoming increasingly important to switch to cleaner alternative energy carriers such as hydrogen, as environmental concerns over greenhouse gas emissions from the burning of fossil fuel increase. Specifically, there is a need for efficient on-board hydrogen storage technologies for vehicular applications. This paper discussed three different methods of hydrogen desorption temperature reduction and desorption kinetics of nanostructured hydrides. The first method was based on substantial hydride particle size refinement. The second method utilized catalytic effects of nanometric n-alumina (Al{sub 2}O{sub 3}), n-yttrium oxide powder (Y{sub 2}O{sub 3}) and n-nickel (Ni) additives. The third method was based on a composite of nanohydride mixtures. The composite approach was applied to the magnesium hydride (MgH{sub 2}) plus sodium tetrahydridoborate (NaBH{sub 4}) and lithium aluminum hydride (LiAlH{sub 4}) systems. The paper presented the effects of nanostructuring and nanocatalytic additives on Mg hydride desorption properties as well as a composite behaviour of nanostructured complex hydrides. It was concluded that milling of commercial MgH{sub 2} with the nano-oxide additives had a limited effect on improving the hydrogen storage properties. The addition of specialty Inco nanometric Ni reduced the hydrogen desorption temperature considerably. 28 refs., 1 tab., 9 figs.

Hydrogen storage behavior of ZrCo1-xNix alloys

International Nuclear Information System (INIS)

Jat, Ram Avtar; Parida, S.C.; Agarwal, Renu; Kulkarni, S.G.

2012-01-01

Intermetallic compound ZrCo is proposed as a candidate material for storage, supply and recovery of hydrogen isotopes in International Thermonuclear Experimental Reactor (ITER) Storage and Delivery System (SDS). However, it has been reported that upon repeated hydriding-dehydriding cycles, ZrCo undergoes disproportionation as per the reaction; 2ZrCo + H 2 ↔ ZrH 2 + ZrCO 2 . This results in reduction in hydrogen storage capacity of ZrCo, which is not a desirable property for SDS. Konishi et al. reported that the disproportionation reaction can be suppressed by decreasing the desorption temperature. It is anticipated that suitable ternary alloying of ZrCo can elevated the hydrogen equilibrium pressure and hence decrease the desorption temperature for supply of 100 kPa of hydrogen. In this study, we have investigated the effect of Ni content on the hydrogenation behavior of ZrCo 1-x Ni x alloys

Hydrogen storage in binary and ternary Mg-based alloys. A comprehensive experimental study

Energy Technology Data Exchange (ETDEWEB)

Kalisvaart, W.P.; Harrower, C.T.; Haagsma, J.; Zahiri, B.; Luber, E.J.; Ophus, C.; Miltin, D. [Alberta Univ., Edmonton (Canada); Poirier, E.; Fritzsche, H. [Canadian Neutron Beam Centre, Chalk River, ON (Canada)

2010-07-01

This study focuses on hydrogen sorption properties of cosputtered 1.5 micrometer thick Mg-based films with Al, Fe and Ti as alloying elements. We show that ternary Mg-Al-Ti and Mg-Fe-Ti alloys in particular display remarkable sorption behavior: at 200 C, the films are capable of absorbing 4-6 wt.% hydrogen in seconds, and desorbing in minutes. Furthermore, this sorption behavior is stable for over 100 ab- and desorption cycles for Mg-Al-Ti and Mg-Fe-Ti alloys. No degradation in capacity or kinetics is observed. Based on these observations, some general design principles for Mg-based hydrogen storage alloys are suggested. For Mg-Fe-Ti, encouraging preliminary results on multilayered systems are also presented. (orig.)

Desorption of H atoms from graphite (0001) using XUV free electron laser pulses

DEFF Research Database (Denmark)

Siemer, B.; Olsen, Thomas; Hoger, T.

2010-01-01

The desorption of neutral H atoms from graphite with femtosecond XUV pulses is reported. The velocity distribution of the atoms peaks at extremely low kinetic energies. A DFT-based electron scattering calculation traces this distribution to desorption out of specific adsorption sites on graphite......, and identifies the highest vibrational state in the adsorbate potential as a major source for the slow atoms. It is evident that multiple electron scattering processes are required for this desorption. A direct electronic excitation of a repulsive hydrogen-carbon bond seems not to be important....

Study of ionization process of matrix molecules in matrix-assisted laser desorption ionization

Energy Technology Data Exchange (ETDEWEB)

Murakami, Kazumasa; Sato, Asami; Hashimoto, Kenro; Fujino, Tatsuya, E-mail: fujino@tmu.ac.jp

2013-06-20

Highlights: ► Proton transfer and adduction reaction of matrix in MALDI were studied. ► Hydroxyl group forming intramolecular hydrogen bond was related to the ionization. ► Intramolecular proton transfer in the electronic excited state was the initial step. ► Non-volatile analytes stabilized protonated matrix in the ground state. ► A possible mechanism, “analyte support mechanism”, has been proposed. - Abstract: Proton transfer and adduction reaction of matrix molecules in matrix-assisted laser desorption ionization were studied. By using 2,4,6-trihydroxyacetophenone (THAP), 2,5-dihydroxybenzoic acid (DHBA), and their related compounds in which the position of a hydroxyl group is different, it was clarified that a hydroxyl group forming an intramolecular hydrogen bond is related to the ionization of matrix molecules. Intramolecular proton transfer in the electronic excited state of the matrix and subsequent proton adduction from a surrounding solvent to the charge-separated matrix are the initial steps for the ionization of matrix molecules. Nanosecond pump–probe NIR–UV mass spectrometry confirmed that the existence of analyte molecules having large dipole moment in their structures is necessary for the stabilization of [matrix + H]{sup +} in the electronic ground state.

Experimental study on desorption characteristics of SAPO-34 and ZSM-5 zeolite

Science.gov (United States)

Yuan, Z. X.; Zhang, X.; Wang, W. C.; Du, C. X.; Liu, Z. B.; Chen, Y. C.

2018-03-01

The dynamic characteristics of SAPO-34 and ZSM-5 zeolite in the desorption process have been experimentally studied with the gravimetric method. The weight change of the test sample was recorded continually for different conditions of temperature and pressure. The curve of the desorption degree with the temperature and the pressure was obtained and discussed. With the intrinsic different micro-structure, the two zeolites showed distinguished characteristics of the desorption. In contrast to an S-shaped desorption curve of the SAPO-34, the ZSM-5 showed an exponential desorption curve. In comparison, the desorption characteristics of the ZSM-5 were better than that of the SAPO-34 in the temperature range of 40 °C 90 °C. Nevertheless, the effect of the pressure on the desorption degree was stronger for the SAPO-34 than for the ZSM-5. Further analysis revealed that the desorption speed was affected more strongly by the temperature than by the pressure.

Study of the hydrogen behavior in amorphous hydrogenated materials of type a - C:H and a - SiC:H facing fusion reactor plasma; Etude du comportament de l`hydrogene dans des materiaux amorphes hydrogenes de type a - C:H et a - SiC:H devant faire face au plasma des reacteurs a fusion

Energy Technology Data Exchange (ETDEWEB)

Barbier, G. [Lyon-1 Univ., 69 - Villeurbanne (France). Inst. de Physique Nucleaire

1997-04-10

Plasma facing components of controlled fusion test devices (tokamaks) are submitted to several constraints (irradiation, high temperatures). The erosion (physical sputtering and chemical erosion) and the hydrogen recycling (retention and desorption) of these materials influence many plasma parameters and thus affect drastically the tokamak running. First, we will describe the different plasma-material interactions. It will be pointed out, how erosion and hydrogen recycling are strongly related to both chemical and physical properties of the material. In order to reduce these interactions, we have selected two amorphous hydrogenated materials (a-C:H and a-SiC:H), which are known for their good thermal and chemical qualities. Some samples have been then implanted with lithium ions at different fluences. Our materials have been then irradiated with deuterium ions at low energy. From our results, it is shown that both the lithium implantation and the use of an a - SiC:H substrate can be beneficial in enhancing the hydrogen retention. These results were completed with thermal desorption studies of these materials. It was evidenced that the hydrogen fixation was more efficient in a-SiC:H than in a-C:H substrate. Results in good agreement with those described above have been obtained by exposing a - C:H and a - SiC:H samples to the scrape off layer of the tokamak of Varennes (TdeV, Canada). A modelling of hydrogen diffusion under irradiation has been also proposed. (author) 176 refs.

Hydrogen retention properties of polycrystalline tungsten and helium irradiated tungsten

International Nuclear Information System (INIS)

Hino, T.; Koyama, K.; Yamauchi, Y.; Hirohata, Y.

1998-01-01

The hydrogen retention properties of a polycrystalline tungsten and tungsten irradiated by helium ions with an energy of 5 keV were examined by using an ECR ion irradiation apparatus and a technique of thermal desorption spectroscopy, TDS. The polycrystalline tungsten was irradiated at RT with energetic hydrogen ions, with a flux of 10 15 H cm -2 and an energy of 1.7 keV up to a fluence of 5 x 10 18 H cm -2 . Subsequently, the amount of retained hydrogen was measured by TDS. The heating temperature was increased from RT to 1000 C, and the heating rate was 50 C min -1 . Below 1000 C, two distinct hydrogen desorption peaks were observed at 200 C and 400 C. The retained amount of hydrogen was observed to be five times smaller than that of graphite, but the concentration in the implantation layer was comparable with that of graphite. Also, the polycrystalline tungsten was irradiated with 5 keV helium ions up to a fluence of 1.4 x 10 18 He cm -2 , and then re-irradiated with 1.7 keV hydrogen ions. The amount of retained hydrogen in this later experiment was close to the value in the case without prior helium ion irradiation. However, the amount of hydrogen which desorbed around the low temperature peak, 200 C, was largely enhanced. The desorption amount at 200 C saturated for the helium fluence of more than 5 x 10 17 He cm -2 . The present data shows that the trapping state of hydrogen is largely changed by the helium ion irradiation. Additionally, 5 keV helium ion irradiation was conducted on a sample pre-implanted with hydrogen ions to simulate a helium ion impact desorption of hydrogen retained in tungsten. The amount of the hydrogen was reduced as much as 50%. (orig.)

Hydrogen storage in carbon nanostruc

NARCIS (Netherlands)

Hirscher, M.; Becher, M.; Haluska, M.; Quintel, A.; Skakalova, V.; Choi, M.; Dettlaff-Weglikowska, U.; Roth, S.; Stepanek, I.; Bernier, P.; Leonhardt, A.; Fink, J.

2002-01-01

The paper gives a critical review of the literature on hydrogen storage in carbon nanostructures. Furthermore, the hydrogen storage of graphite, graphite nanofibers (GNFs), and single-walled carbon nanotubes (SWNTs) was measured by thermal desorption spectroscopy (TDS). The samples were ball milled

The effect of compositional changes on the structural and hydrogen storage properties of (La–Ce)Ni5 type intermetallics towards compounds suitable for metal hydride hydrogen compression

International Nuclear Information System (INIS)

Odysseos, M.; De Rango, P.; Christodoulou, C.N.; Hlil, E.K.; Steriotis, T.; Karagiorgis, G.; Charalambopoulou, G.; Papapanagiotou, T.; Ampoumogli, A.; Psycharis, V.; Koultoukis, E.; Fruchart, D.; Stubos, A.

2013-01-01

Graphical abstract: The effect of the partial substitution of La with Ce on the crystal structure and the final hydrogen storage properties of the alloys. Highlights: ► Absorption-based systems exploit the properties of reversible metal hydrides. ► AB5 intermetallics are mostly popular for thermal desorption compressors. ► Investigation of H2 absorption/desorption properties of LaNi5 and its derivatives. ► LaNi5 thermodynamic properties adjustment by partially replacing La with rare earths. -- Abstract: The present work has been aiming at the synthesis and study of a series of La 1−x Ce x Ni 5 (x = 0, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8) alloys in an attempt to investigate possible alterations of the hydrogen absorption/desorption properties The alloys were prepared by induction melting of the constituent elements. The systematic characterization of all new compounds by means of XRD and hydrogen sorption measurements revealed the effect of the partial substitution of La with Ce on the crystal structure and the final hydrogen storage properties of the alloys. Extensive absorption/desorption experiments (Van’t Hoff diagrams) have shown that such alloys can be used to build a metal hydride compressor (MHC), compressing H 2 gas from 0.2 MPa to 4.2 MPa using cold (20 °C) and hot (80 °C) water

Hydrogenation study of suction-cast Ti{sub 40}Zr{sub 40}Ni{sub 20} quasicrystal

Energy Technology Data Exchange (ETDEWEB)

Huang, Huogen; Li, Rong; Yin, Chen; Zheng, Shaotao; Zhang, Pengcheng [National Key Laboratory for Surface Physics and Chemistry, P.O. Box 718-35, Mian Yang 621907, Sichuan (China)

2008-09-15

Suction casting was predicted to be an usable method for improving the hydriding kinetics of Ti/Zr-based icosahedral quasicrystals (IQCs) in our previous work. To further determine it, a suction-cast Ti{sub 40}Zr{sub 40}Ni{sub 20} IQC alloy was used for hydrogenation studies by Pressure Composition Isotherm (PCI) and Temperature Programmed Desorption (TPD) techniques. The results showed that, this alloy absorbed hydrogen rapidly with obvious hydrogen pressure plateau and some reversibility, however, displayed very limited hydrogen capacity (about 0.7 wt.%) and low equilibrium pressure. After several hydrogenation/dehydrogenation cycles, the IQC structure transformed into two hydride phases, ZrH{sub 2-x} and one unknown, both of which decomposed at above 600 C, suggesting high thermo-stability for them. On the whole, indeed the suction-casting method can increase the hydrogen absorption rate of Ti/Zr-based IQCs, however, the hydrogenation properties of the Ti{sub 40}Zr{sub 40}Ni{sub 20} IQC alloy still need a mighty advancement. (author)

Film growth, adsorption and desorption kinetics of indigo on SiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Scherwitzl, Boris, E-mail: b.scherwitzl@tugraz.at; Resel, Roland; Winkler, Adolf [Institute of Solid State Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz (Austria)

2014-05-14

Organic dyes have recently been discovered as promising semiconducting materials, attributable to the formation of hydrogen bonds. In this work, the adsorption and desorption behavior, as well as thin film growth was studied in detail for indigo molecules on silicon dioxide with different substrate treatments. The material was evaporated onto the substrate by means of physical vapor deposition under ultra-high vacuum conditions and was subsequently studied by Thermal Desorption Spectroscopy (TDS), Auger Electron Spectroscopy, X-Ray Diffraction, and Atomic Force Microscopy. TDS revealed initially adsorbed molecules to be strongly bonded on a sputter cleaned surface. After further deposition a formation of dimers is suggested, which de-stabilizes the bonding mechanism to the substrate and leads to a weakly bonded adsorbate. The dimers are highly mobile on the surface until they get incorporated into energetically favourable three-dimensional islands in a dewetting process. The stronger bonding of molecules within those islands could be shown by a higher desorption temperature. On a carbon contaminated surface no strongly bonded molecules appeared initially, weakly bonded monomers rather rearrange into islands at a surface coverage that is equivalent to one third of a monolayer of flat-lying molecules. The sticking coefficient was found to be unity on both substrates. The desorption energies from carbon covered silicon dioxide calculated to 1.67 ± 0.05 eV for multilayer desorption from the islands and 0.84 ± 0.05 eV for monolayer desorption. Corresponding values for desorption from a sputter cleaned surface are 1.53 ± 0.05 eV for multilayer and 0.83 ± 0.05 eV for monolayer desorption.

Study of the mechanisms of matrix assisted laser desorption / ionization

International Nuclear Information System (INIS)

Manuelli, Pascal

1995-01-01

This research thesis aims at a better knowledge of some aspects of a complex mechanism: the matrix-assisted laser desorption/ionization (MALDI). The author first proposes a comparative analysis of results obtained by time-of-flight (TOF) mass spectrometry and by Fourier transform mass spectrometry. He reports the study of the matrix role (notably a polymeric matrix) as a matter submitted to laser desorption. In this respect, the influence of the incident wavelength has been studied. The author also reports a comparative of ions produced by matrix laser desorption (study performed by Fourier transform mass spectrometry) and of neutral molecules (study performed by flash pyrolysis coupled with gas chromatography and with mass spectrometry). Finally, results obtained on derivatives and complexes based on beta-cyclodextrins highlight benefits as well as limitations of this technique [fr

Local stabilization of single-walled carbon nanotubes on Si(100)-2 x 1:H via nanoscale hydrogen desorption with an ultrahigh vacuum scanning tunnelling microscope

International Nuclear Information System (INIS)

Albrecht, Peter M; Lyding, Joseph W

2007-01-01

An ultrahigh vacuum scanning tunnelling microscope (UHV-STM) was used to modify the interface between isolated ∼10 A-diameter single-walled carbon nanotubes (SWNTs) and the hydrogen-passivated Si(100) surface. Room-temperature UHV-STM desorption of hydrogen at the SWNT/H-Si(100) interface resulted in the local mechanical stabilization of tubes originally perturbed by the rastered STM tip under nominal imaging conditions. For the section of the SWNT contacted by depassivated Si, a topographic depression of 1.5 A (1 A) was measured in the case of parallel (nearly perpendicular) alignment between the tube axis and the Si dimer rows, in agreement with existing first-principles calculations. The compatibility of hydrogen-resist UHV-STM nanolithography with SWNTs adsorbed on H-Si(100) would enable the atomically precise placement of single molecules in proximity to the tube for the bottom-up fabrication of molecular electronic devices

Zirconium-nickel crystals—hydrogen accumulators: Dissolution and penetration of hydrogen atoms in alloys

Science.gov (United States)

Matysina, Z. A.; Zaginaichenko, S. Yu.; Shchur, D. V.; Gabdullin, M. T.; Kamenetskaya, E. A.

2016-07-01

The calculation of the free energy, thermodynamic equilibrium equations, and kinetic equations of the intermetallic compound Zr2NiH x has been carried out based on molecular-kinetic concepts. The equilibrium hydrogen concentration depending on the temperature, pressure, and energy parameters has been calculated. The absorption-desorption of hydrogen has been studied, and the possibility of the realization of the hysteresis effect has been revealed. The kinetics of the dissolution and permeability of hydrogen is considered, the time dependence of these values has been found, and conditions for the extremum character of their time dependence have been determined. Relaxation times of the dissolution and permeability of hydrogen into the alloy have been calculated. The calculation results are compared with the experimental data available in the literature.

Determination of diffusible and total hydrogen concentration in coated and uncoated steel

Energy Technology Data Exchange (ETDEWEB)

Mabho, Nonhlangabezo

2010-09-23

The new trend in the steel industry demands thin, flexible, high strength steels with low internal embrittlement. It is a well known fact that the atomic hydrogen which is picked up during production, fabrication and service embrittles the steel. This has led to an extensive research towards the improvement of the quality of metallic materials by focusing on total and diffusible hydrogen concentrations which are responsible for hydrogen embrittlement. Since the internal embrittlement cannot be foreseen, the concentrations of diffusible hydrogen work as indicators while the total hydrogen characterizes the absorbed quantities and quality of that particular product. To meet these requirements, the analytical chemistry methods which include the already existing carrier gas melt (fusion) extraction methods that use infrared and thermal conductivity for total hydrogen detection were applied. The newly constructed carrier gas thermal desorption mass spectroscopy was applied to monitor the diffusible concentration at specific temperatures and desorption rates of hydrogen which will contribute towards the quality of materials during service. The TDMS method also involved the characterization of the energy quantity (activation energy) required by hydrogen to be removed from traps of which irreversible traps are preferred because they enhance the stability of the product by inhibiting the mobility of hydrogen which is detrimental to the metallic structures. The instrumentation for TDMS is quite simple, compact, costs less and applicable to routine analysis. To determine total and diffusible hydrogen, the influence of the following processes: chemical and mechanical zinc coating removal, sample cleaning with organic solvents, conditions for hydrogen absorption by electrolytic hydrogen charging, conditions of hydrogen desorption by storing the sample at room temperature, solid CO{sub 2} and at temperatures of the drier was analysed. The contribution of steel alloys towards

The electrochemical characteristics of Mg2Ni nanocrystalline hydrogen storage alloy

International Nuclear Information System (INIS)

Zhang Ling; Zhou Xiaosong; Peng Shuming

2008-06-01

The nanocrystalline Mg 2 Ni materials were prepared by mechanical alloying. The cyclic voltametry results indicated that the potential of oxidation peak was shift as the scan rate increased and the absorption property of Mg 2 Ni prepared by mechanical alloying was increased even at ambient temperature. The absorption and desorption of hydrogen in Mg 2 Ni alloy were remarkably accelerated with the rising temperature. Small angel X-ray scattering results indicated that the Mg 2 Ni powder have 1-5 nm and 5-10 nm particle size distribution, which increased the acting sites of hydrogen absorption/desorption reaction and decreased the diffusion path of hydrogen desorption. It was induced to the enhanced performance of Mg 2 Ni nanocrystalline powder. The cycle life investigated results indicated that the activation property of Mg 2 Ni nanocrystal-line hydrogen storage alloy electrode was excellent, the capacitance maintenance ration was 66% after 200 cycles. The coating of epoxy resin on one side of the electrode had no effect on the activation property and the capacitance maintenance ration was better than the uncoating one. But the anode peak current value and the cathodic peak current value were decreased remarkably which indicated that the hydrogen absorption/desorption rate and the charge/discharge degree had decreased. (authors)

Hydrogen adsorption on bimetallic PdAu(111) surface alloys

DEFF Research Database (Denmark)

Takehiro, Naoki; Liu, Ping; Bergbreiter, Andreas

2014-01-01

The adsorption of hydrogen on structurally well defined PdAu-Pd(111) monolayer surface alloys was investigated in a combined experimental and theoretical study, aiming at a quantitative understanding of the adsorption and desorption properties of individual PdAu nanostructures. Combining...... the structural information obtained by high resolution scanning tunneling microscopy (STM), in particular on the abundance of specific adsorption ensembles at different Pd surface concentrations, with information on the adsorption properties derived from temperature programmed desorption (TPD) spectroscopy...... and high resolution electron energy loss spectroscopy (HREELS) provides conclusions on the minimum ensemble size for dissociative adsorption of hydrogen and on the adsorption energies on different sites active for adsorption. Density functional theory (DFT) based calculations give detailed insight...

The kinetic isotope effect of hydrogen, deuterium and tritium absorbed and desorbed by titanium

International Nuclear Information System (INIS)

Huang Gang; Cao Xiaohua; Long Xinggui

2008-06-01

p-t curves of hydrogen, deuterium and tritium absorption at 550-750 degree C and desorption at 350-550 degree C by titanium were investigated. The rate constants of absorption and desorption for hydrogen, deuterium and tritium on each temperature are determined and the activation energy values obtained by this analysis are (55.6 ± 2.4) kJ·mol -1 , (110.2 ± 3.0) kJ·mol -1 and (155.5 ± 3.2) kJ·mol -1 for absorption and (27.1±0.4) KJ·mol -1 , (42.3 ± 1.9) kJ·mol -1 and (62.1±1.6) kJ·mol -1 for desorption respectively. The activation energy value of tritium absorption is highest which shows titanium tritiation is hardest. The activation energy value of tritium desorption is highest and it also can prove that titanium tritide is stablest. There are remarkable kinetic hydrogen isotope effects when titanium absorb and desorb hydrogen, deuterium and tritium. (authors)

Hydrogenation-disproportionation-desorption-recombination in Sm2Fe16M (M=Al, Ga and Si) and magnetic properties of their carburized powders

International Nuclear Information System (INIS)

Kubis, M.; Rave, W.; Cao, L.; Gebel, B.; Mueller, K.-H.; Schultz, L.

1998-01-01

The application of the hydrogenation-disproportionation-desorption-recombination (HDDR) process in Sm 2 Fe 16 M (M=Al,Ga and Si) was investigated. The hydrogen absorption behaviour was studied by temperature-pressure analysis (TPA). In the temperature range between 500 and 800 C, Sm 2 Fe 16 M samples with M=Ga and Si show a weaker hydrogen absorption than Sm 2 Fe 16 Al. This was confirmed by X-ray diffraction which showed a complete disproportionation of Sm 2 Fe 16 Al into SmH z (1.9 2 Fe 16 Ga and Sm 2 Fe 16 Si exhibit a fraction of undecomposed material with the Th 2 Zn 17 -type structure after the disproportionation procedure. These results point to a stabilization of Sm 2 Fe 16 M against disproportionation by hydrogen for M=Ga and Si. The magnetization processes of carburized HDDR powders were studied by VSM measurements and Kerr microscopy. The demagnetization curve of our HDDR processed Sm 2 Fe 16 AlC y is well shaped, whereas those of Sm 2 Fe 16 GaC y and Sm 2 Fe 16 SiC y show a large decrease of the polarization at low fields. The favourable behaviour of Sm 2 Fe 16 AlC y is due to a homogeneous submicron grain structure. In Sm 2 Fe 16 GaC y and Sm 2 Fe 16 SiC y samples, an additional, magnetically soft phase with larger domains was observed which causes the low coercivity. As a consequence, HDDR was only favourable for the preparation of Sm 2 Fe 16 MC y hard magnets with M=Al but not for M=Ga and Si. Optimization of the HDDR process in Sm 2 Fe 16 Al and subsequent nitrogenation or carburization led to coercivities of μ 0j H c =2.9 and 2.5 T, respectively. (orig.)

Mechanistic study of the isotopic-exchange reaction between gaseous hydrogen and palladium hydride powder

International Nuclear Information System (INIS)

Outka, D.A.; Foltz, G.W.

1991-01-01

A detailed mechanism for the isotopic-exchange reaction between gaseous hydrogen and solid palladium hydride is developed which extends previous model for this reaction by specifically including surface reactions. The modeling indicates that there are two surface-related processes that contribute to the overall rate of exchange: the desorption of hydrogen from the surface and the exchange between surface hydrogen and bulk hydrogen. This conclusion is based upon measurements examining the effect of small concentrations of carbon monoxide were helpful in elucidating the mechanism. Carbon monoxide reversibly inhibits certain steps in the exchange; this slows the overall rate of exchange and changes the distribution of products from the reactor

Hydrogen isotope effect on storage behavior of U{sub 2}Ti and UZr{sub 2.3}

Energy Technology Data Exchange (ETDEWEB)

Jat, Ram Avtar; Sawant, S.G.; Rajan, M.B.; Dhanuskar, J.R. [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Kaity, Santu [Radiometallurgy Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Parida, S.C., E-mail: sureshp@barc.gov.in [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

2013-11-15

U{sub 2}Ti and UZr{sub 2.3} alloys were prepared by arc melting method, vacuum annealed and characterized by XRD, SEM and EDX methods. Hydrogen isotope effect on the storage behavior of these alloys were studied by measuring the hydrogen/deuterium desorption pressure–composition–temperature (PCT) profiles in the temperature range of 573–678 K using a Sievert’s type volumetric apparatus. It was observed that, in the temperature and pressure range of investigation, all the isotherms show a single desorption plateau. The PCT data reveals that both U{sub 2}Ti and UZr{sub 2.3} alloys had normal isotope effects on hydrogen/deuterium desorption at all experimental temperatures. Thermodynamic parameters for dehydrogenation and dedeuteration reactions of the corresponding hydrides and deuterides of the above alloys were deduced from the PCT data.

Microstructural evolution during hydrogen sorption cycling of Mg-FeTi nanolayered composites

Energy Technology Data Exchange (ETDEWEB)

Kalisvaart, W.P., E-mail: pkalisvaart@gmail.com [Chemical and Materials Engineering, University of Alberta and National Research Council Canada, National Institute for Nanotechnology, Edmonton, AB, T6G 2V4 (Canada); Kubis, Alan; Danaie, Mohsen; Amirkhiz, Babak Shalchi [Chemical and Materials Engineering, University of Alberta and National Research Council Canada, National Institute for Nanotechnology, Edmonton, AB, T6G 2V4 (Canada); Mitlin, David, E-mail: dmitlin@ualberta.ca [Chemical and Materials Engineering, University of Alberta and National Research Council Canada, National Institute for Nanotechnology, Edmonton, AB, T6G 2V4 (Canada)

2011-03-15

This paper describes the microstructural evolution of Mg-FeTi mutlilayered hydrogen storage materials during extended cycling. A 28 nm Mg-5 nm FeTi multilayer has comparable performance to a cosputtered material with an equivalent composition (Mg-10%Fe-10%Ti), which is included as a baseline case. At 200 deg. C, the FeTi layers act as a barrier, preventing agglomeration of Mg particles. At 300 deg. C, the initial structure of the multilayer is preserved up to 35 cycles, followed by fracturing of the Mg layers in the in-plane direction and progressive delamination of the FeTi layers as observed by electron microscopy. Concurrently, an increase in the Mg grain size was observed from 32 to 76 nm between cycles 35 and 300. As a result, the absorption kinetics deteriorate with cycling, although 90% of the total capacity is still absorbed within 2 min after as many as 300 cycles. The desorption kinetics, on the other hand, remain rapid and stable, and complete desorption of 4.6 wt.% H is achieved in 1.5 min at ambient desorption pressure. In addition to showing good hydrogen storage performance, multilayers are an excellent model system for studying the relation between microstructure and hydrogen absorption/desorption kinetics.

Microstructural evolution during hydrogen sorption cycling of Mg-FeTi nanolayered composites

International Nuclear Information System (INIS)

Kalisvaart, W.P.; Kubis, Alan; Danaie, Mohsen; Amirkhiz, Babak Shalchi; Mitlin, David

2011-01-01

This paper describes the microstructural evolution of Mg-FeTi mutlilayered hydrogen storage materials during extended cycling. A 28 nm Mg-5 nm FeTi multilayer has comparable performance to a cosputtered material with an equivalent composition (Mg-10%Fe-10%Ti), which is included as a baseline case. At 200 deg. C, the FeTi layers act as a barrier, preventing agglomeration of Mg particles. At 300 deg. C, the initial structure of the multilayer is preserved up to 35 cycles, followed by fracturing of the Mg layers in the in-plane direction and progressive delamination of the FeTi layers as observed by electron microscopy. Concurrently, an increase in the Mg grain size was observed from 32 to 76 nm between cycles 35 and 300. As a result, the absorption kinetics deteriorate with cycling, although 90% of the total capacity is still absorbed within 2 min after as many as 300 cycles. The desorption kinetics, on the other hand, remain rapid and stable, and complete desorption of 4.6 wt.% H is achieved in 1.5 min at ambient desorption pressure. In addition to showing good hydrogen storage performance, multilayers are an excellent model system for studying the relation between microstructure and hydrogen absorption/desorption kinetics.

Mutual Effects of Hydrogenation and Deformation in Ti-Nb Alloys

National Research Council Canada - National Science Library

Zander, D

2002-01-01

...), transmission electron microscopy (TEM), thermal desorption spectroscopy (TDS), and microhardness tests, the influence of hydrogen at high fugacities on the phase stability, desorption behavior, and microhardness in Ti-Nb (20 to 45 wt pct Nb...

Complex hydrides for hydrogen storage

Science.gov (United States)

Zidan, Ragaiy

2006-08-22

A hydrogen storage material and process of forming the material is provided in which complex hydrides are combined under conditions of elevated temperatures and/or elevated temperature and pressure with a titanium metal such as titanium butoxide. The resulting fused product exhibits hydrogen desorption kinetics having a first hydrogen release point which occurs at normal atmospheres and at a temperature between 50.degree. C. and 90.degree. C.

Study of Supported Nickel Catalysts Prepared by Aqueous Hydrazine Method. Hydrogenating Properties and Hydrogen Storage: Support Effect. Silver Additive Effect

International Nuclear Information System (INIS)

Wojcieszak, R.

2006-06-01

We have studied Ni or NiAg nano-particles obtained by the reduction of nickel salts (acetate or nitrate) by hydrazine and deposited by simple or EDTA-double impregnation on various supports (γ-Al 2 O 3 , amorphous or crystallized SiO 2 , Nb 2 O 5 , CeO 2 and carbon). Prepared catalysts were characterized by different methods (XRD, XPS, low temperature adsorption and desorption of N 2 , FTIR and FTIR-Pyridine, TEM, STEM, EDS, H 2 -TPR, H 2 -adsorption, H 2 -TPD, isopropanol decomposition) and tested in the gas phase hydrogenation of benzene or as carbon materials in the hydrogen storage at room temperature and high pressure. The catalysts prepared exhibited better dispersion and activity than classical catalysts. TOF's of NiAg/SiO 2 or Ni/carbon catalysts were similar to Pt catalysts in benzene hydrogenation. Differences in support acidity or preparation method and presence of Ag as metal additive play a crucial role in the chemical reduction of Ni by hydrazine and in the final properties of the materials. Ni/carbon catalysts could store significant amounts of hydrogen at room temperature and high pressure (0.53%/30 bars), probably through the hydrogen spillover effect. (author)

Hydrogen storage of Mg1−xMxH2 (M = Ti, V, Fe) studied using first-principles calculations

International Nuclear Information System (INIS)

Bhihi, M.; Lakhal, M.; Benyoussef, A.; El Kenz, A.; Labrim, H.; Mounkachi, O.; Hlil, E.K.

2012-01-01

In this work, the hydrogen storage properties of the Mg-based hydrides, i.e., Mg 1−x M x H 2 (M = Ti, V, Fe, 0 ≤ x ≤ 0.1), are studied using the Korringa—Kohn—Rostoker (KKR) calculation with the coherent potential approximation (CPA). In particular, the nature and concentrations of the alloying elements and their effects are studied. Moreover, the material's stability and hydrogen storage thermodynamic properties are discussed. In particular, we find that the stability and the temperature of desorption decrease without significantly affecting the storage capacities

Microporous Metal Organic Materials for Hydrogen Storage

Energy Technology Data Exchange (ETDEWEB)

S. G. Sankar; Jing Li; Karl Johnson

2008-11-30

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

Cellular automaton model for hydrogen transport dynamics through metallic surface

International Nuclear Information System (INIS)

Shimura, K.; Yamaguchi, K.; Terai, T.; Yamawaki, M.

2002-01-01

Hydrogen re-emission and re-combination at the surface of first wall materials are a crucial issue for the understanding of the fuel recycling and for the tritium inventory in plasma facing materials. It is know to be difficult to model the transient behaviour of those processes due to their complex time-transient nature. However, cellular automata (CA) are powerful tools to model such complex systems because of their nature of discreteness in both dependent and independent variables. Then the system can be represented by the fully local interactions between cells. For that reason, complex physical and chemical systems can be described by fairly simple manner. In this study, the kinetics of desorption of adsorbed hydrogen from an ideal metallic surface is modelled in CA. Thermal desorption is simulated with this model and the comparison with the theory of rate processes is performed to identify the validity of this model. The overall results show that this model is reasonable to express the desorption kinetics

The effect of TTNT nanotubes on hydrogen sorption using MgH2

Directory of Open Access Journals (Sweden)

Mariana Coutinho Brum

2013-06-01

Full Text Available Nanotubes are promising materials to be used with magnesium hydride, as catalysts, in order to enhance hydrogen sorption. A study was performed on the hydrogen absorption/desorption properties of MgH2 with the addition of TTNT (TiTanate NanoTubes. The MgH2-TTNT composite was prepared by ball milling and the influence of the TTNT amount (1.0 and 5.0 wt. (% on the hydrogen capacity was evaluated. The milling of pure MgH2 was performed for 24 hours and afterwards the MgH2-TTNT composite was milled for 20 minutes. Transmission Electronic Microscopy (TEM and Scanning Electron Microscopy (SEM were used to evaluate the nanotube synthesis and show the particle morphology of the MgH2-TTNT composite, respectively. The Differential Scanning Calorimetry (DSC examination provided some evidence with the shifting of the peaks obtained when the amount of TTNT is increased. The hydrogen absorption/desorption kinetics tests showed that the TTNT nanotubes can enhance hydrogen sorption effectively and the total hydrogen capacity obtained was 6.5 wt. (%.

The effect of TTNT nanotubes on hydrogen sorption using MgH2

International Nuclear Information System (INIS)

Brum, Mariana Coutinho; Jardim, Paula Mendes; Conceicao, Monique Osorio Talarico da; Santos, Dilson Silva dos

2013-01-01

Nanotubes are promising materials to be used with magnesium hydride, as catalysts, in order to enhance hydrogen sorption. A study was performed on the hydrogen absorption/desorption properties of MgH 2 with the addition of TTNT (TiTanate nanotubes). The MgH 2 -TTNT composite was prepared by ball milling and the influence of the TTNT amount (1.0 and 5.0 wt. (%)) on the hydrogen capacity was evaluated. The milling of pure MgH 2 was performed for 24 hours and afterwards the MgH 2 -TTNT composite was milled for 20 minutes. Transmission Electronic Microscopy (TEM) and Scanning Electron Microscopy (SEM) were used to evaluate the nanotube synthesis and show the particle morphology of the MgH 2 -TTNT composite, respectively. The Differential Scanning Calorimetry (DSC) examination provided some evidence with the shifting of the peaks obtained when the amount of TTNT is increased. The hydrogen absorption/desorption kinetics tests showed that the TTNT nanotubes can enhance hydrogen sorption effectively and the total hydrogen capacity obtained was 6.5 wt. (%). (author)

Conceptual design of hydrogen isotopes chromatographic separation system with super large capacity

International Nuclear Information System (INIS)

Xie Bo; Weng Kuiping; Liu Yunnu; Hou Jianping

2012-01-01

A super large capacity hydrogen isotopes separation system, including total plan, unit (including making and purification of gas, three-grade chromatographic columns, gas loop and auto-control, and carrier recovery) and experimental scheme, had been designed on the basis of a series of hydrogen-deuterium experiments by temperature programmed de- sorption. The characteristic of the system was that desorption kinetic parameters could be directly calculated from the hydrogen isotope separation desorption spectra information. In other words, the complicated dynamic process of separation could be described by the desorption rate equation, shape parameter and desorption activation energy calculation on the condition of the experimental data and appropriate assumptions (equilibrium and adsorption, uniform surface). In previous work, an experimental series of operation to verify the successive enrichment of D 2 from a H 2 -D 2 mixture, the production of the deuterium from natural hydrogen and the recovery of tritium such as from the nuclear heavy-water were carried out using MS5A at 77 K. This work was only conceptual design, so it was necessary to identify the availability of super large capacity system by experiment. (authors)

Preparation of Mg2FeH6 Nanoparticles for Hydrogen Storage Properties

Directory of Open Access Journals (Sweden)

N. A. Niaz

2013-01-01

Full Text Available Magnesium (Mg and iron (Fe nanoparticles are prepared by thermal decomposition of bipyridyl complexes of metals. These prepared Mg-Fe (2 : 1 nanoparticles are hydrogenated under 4 MPa hydrogen pressure and 673 K for 48 hours to achieve Mg2FeH6. Their structural analysis was assessed by applying manifold techniques. The hydrogen storage properties of prepared compound were measured by Sieverts type apparatus. The desorption kinetics were measured by high pressure thermal desorption spectrometer (HP-TDS. More than 5 wt% hydrogen released was obtained by the Mg2FeH6 within 5 min, and during rehydrogenation very effective hydrogen absorption rate was observed by the compound.

Hydrogen passivation of electron trap in amorphous In-Ga-Zn-O thin-film transistors

International Nuclear Information System (INIS)

Hanyu, Yuichiro; Domen, Kay; Nomura, Kenji; Hiramatsu, Hidenori; Kamiya, Toshio; Kumomi, Hideya; Hosono, Hideo

2013-01-01

We report an experimental evidence that some hydrogens passivate electron traps in an amorphous oxide semiconductor, a-In-Ga-Zn-O (a-IGZO). The a-IGZO thin-film transistors (TFTs) annealed at 300 °C exhibit good operation characteristics; while those annealed at ≥400 °C show deteriorated ones. Thermal desorption spectra (TDS) of H 2 O indicate that this threshold annealing temperature corresponds to depletion of H 2 O desorption from the a-IGZO layer. Hydrogen re-doping by wet oxygen annealing recovers the good TFT characteristic. The hydrogens responsible for this passivation have specific binding energies corresponding to the desorption temperatures of 300–430 °C. A plausible structural model is suggested

Surface Magnetism of Cobalt Nanoislands Controlled by Atomic Hydrogen.

Science.gov (United States)

Park, Jewook; Park, Changwon; Yoon, Mina; Li, An-Ping

2017-01-11

Controlling the spin states of the surface and interface is key to spintronic applications of magnetic materials. Here, we report the evolution of surface magnetism of Co nanoislands on Cu(111) upon hydrogen adsorption and desorption with the hope of realizing reversible control of spin-dependent tunneling. Spin-polarized scanning tunneling microscopy reveals three types of hydrogen-induced surface superstructures, 1H-(2 × 2), 2H-(2 × 2), and 6H-(3 × 3), with increasing H coverage. The prominent magnetic surface states of Co, while being preserved at low H coverage, become suppressed as the H coverage level increases, which can then be recovered by H desorption. First-principles calculations reveal the origin of the observed magnetic surface states by capturing the asymmetry between the spin-polarized surface states and identify the role of hydrogen in controlling the magnetic states. Our study offers new insights into the chemical control of magnetism in low-dimensional systems.

Hydrogen storage in binary and ternary Mg-based alloys: A comprehensive experimental study

Energy Technology Data Exchange (ETDEWEB)

Kalisvaart, W.P.; Harrower, C.T.; Haagsma, J.; Zahiri, B.; Luber, E.J.; Ophus, C.; Mitlin, D. [Chemical and Materials Engineering, University of Alberta and National Research Council Canada, National Institute for Nanotechnology, T6G 2V4, Edmonton, Alberta (Canada); Poirier, E.; Fritzsche, H. [National Research Council Canada, SIMS, Canadian Neutron Beam Centre, Chalk River Laboratories, Chalk River, Ontario, K0J 1J0 (Canada)

2010-03-15

This study focused on hydrogen sorption properties of 1.5 {mu}m thick Mg-based films with Al, Fe and Ti as alloying elements. The binary alloys are used to establish as baseline case for the ternary Mg-Al-Ti, Mg-Fe-Ti and Mg-Al-Fe compositions. We show that the ternary alloys in particular display remarkable sorption behavior: at 200 C the films are capable of absorbing 4-6 wt% hydrogen in seconds, and desorbing in minutes. Furthermore, this sorption behavior is stable over cycling for the Mg-Al-Ti and Mg-Fe-Ti alloys. Even after 100 absorption/desorption cycles, no degradation in capacity or kinetics is observed. For Mg-Al-Fe, the properties are clearly worse compared to the other ternary combinations. These differences are explained by considering the properties of all the different phases present during cycling in terms of their hydrogen affinity and catalytic activity. Based on these considerations, some general design principles for Mg-based hydrogen storage alloys are suggested. (author)

The effect of TTNT nanotubes on hydrogen sorption using MgH{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Brum, Mariana Coutinho; Jardim, Paula Mendes; Conceicao, Monique Osorio Talarico da; Santos, Dilson Silva dos, E-mail: monique@metalmat.ufrj.br [Coordenacao dos Programas de Pos-Graduacao em Engenharia (PEMM/COPPEP/UFRJ), Rio de Janeiro, RJ (Brazil). Programa de Engenharia Metalurgica e de Materiais

2013-11-01

Nanotubes are promising materials to be used with magnesium hydride, as catalysts, in order to enhance hydrogen sorption. A study was performed on the hydrogen absorption/desorption properties of MgH{sub 2} with the addition of TTNT (TiTanate nanotubes). The MgH{sub 2} -TTNT composite was prepared by ball milling and the influence of the TTNT amount (1.0 and 5.0 wt. (%)) on the hydrogen capacity was evaluated. The milling of pure MgH{sub 2} was performed for 24 hours and afterwards the MgH{sub 2} -TTNT composite was milled for 20 minutes. Transmission Electronic Microscopy (TEM) and Scanning Electron Microscopy (SEM) were used to evaluate the nanotube synthesis and show the particle morphology of the MgH{sub 2} -TTNT composite, respectively. The Differential Scanning Calorimetry (DSC) examination provided some evidence with the shifting of the peaks obtained when the amount of TTNT is increased. The hydrogen absorption/desorption kinetics tests showed that the TTNT nanotubes can enhance hydrogen sorption effectively and the total hydrogen capacity obtained was 6.5 wt. (%). (author)

Design and construction of thermal desorption measurement system for tritium contained materials

International Nuclear Information System (INIS)

Hara, M.; Hatano, Y.; Calderoni, P.; Shimada, M.

2014-01-01

The dual-mode thermal desorption analysis system was designed and built in Idaho National Laboratory (INL) to examine the evolution of the hydrogen isotope gas from materials. The system is equipped with a mass spectrometer for stable hydrogen isotopes and an ionization chamber for tritium components. The performance of the system built was tested with using tritium contained materials. The evolution of tritiated gas species from contaminated materials was measured successfully by using the system. (author)

Experimental and theoretical investigation of Fe-catalysis phenomenon in hydrogen thermal desorption form hydrocarbon plasma-discharge films from T-10 tokamak

International Nuclear Information System (INIS)

Stankevich, V.G.; Svechnikov, N.Y.; Lebedev, A.M.; Menshikov, K.A.; Kolbasov, B.N.; Sukhanov, L.P.

2017-01-01

A comprehensive study of hydrocarbon films obtained in the plasma discharge of large fusion facilities will allow the minimization of parasitic capture. The investigation of the effect of Fe impurities on D 2 thermal desorption (TD) from homogeneous CD x films (x ∼ 0.5) formed in the D-plasma discharge of the T-10 tokamak were carried out. The experimental TD spectra of the films showed 2 groups of peaks at 650-850 K and 900-1000 K for 2 adsorption states. The main result of the iron catalysis effect consists in the shift of the high-temperature peak by -24 K and in the increase in the fraction of the weakly bonded adsorption states. To describe the effect of iron impurities on TD of hydrogen isotopes, a structural cluster model based on the interaction of the Fe + ion with the 1,3-C 6 H 8 molecule was proposed. The potential energy surfaces of chemical reactions with the H 2 elimination were calculated using ab initio methods of quantum chemistry. It was established that the activation barrier of hydrogen TD is reduced by about 1 eV due to the interaction of the Fe + ion with the π-subsystem of the 1,3-C 6 H 8 molecule leading to a redistribution of the double bonds along the carbon system

New perspectives in vacuum high voltage insulation. II. Gas desorption

CERN Document Server

Diamond, W T

1998-01-01

An examination has been made of gas desorption from unbaked electrodes of copper, niobium, aluminum, and titanium subjected to high voltage in vacuum. It has been shown that the gas is composed of water vapor, carbon monoxide, and carbon dioxide, the usual components of vacuum outgassing, plus an increased yield of hydrogen and light hydrocarbons. The gas desorption was driven by anode conditioning as the voltage was increased between the electrodes. The gas is often desorbed as microdischarges-pulses of a few to hundreds of microseconds-and less frequently in a more continuous manner without the obvious pulsed structure characteristic of microdischarge activity. The quantity of gas released was equivalent to many monolayers and consisted mostly of neutral molecules with an ionic component of a few percent. A very significant observation was that the gas desorption was more dependent on the total voltage between the electrodes than on the electric field. It was not triggered by field-emitted electrons but oft...

Hydrogen absorption/desorption characteristics of room temperature ...

Indian Academy of Sciences (India)

ZrMn2-Ni system; metal hydrides; hydrogen storage materials. ... where ∼ 2.5 to 2.9 H/F.U. can be reversibly stored under the ideal operating conditions. ... these are promising candidates for stationary and short range mobile applications.

The Role of Hydrogen-Enhanced Strain-Induced Lattice Defects on Hydrogen Embrittlement Susceptibility of X80 Pipeline Steel

Science.gov (United States)

Hattori, M.; Suzuki, H.; Seko, Y.; Takai, K.

2017-08-01

Studies to date have not completely determined the factors influencing hydrogen embrittlement of ferrite/bainite X80 pipeline steel. Hydrogen embrittlement susceptibility was evaluated based on fracture strain in tensile testing. We conducted a thermal desorption analysis to measure the amount of tracer hydrogen corresponding to that of lattice defects. Hydrogen embrittlement susceptibility and the amount of tracer hydrogen significantly increased with decreasing crosshead speed. Additionally, a significant increase in the formation of hydrogen-enhanced strain-induced lattice defects was observed immediately before the final fracture. In contrast to hydrogen-free specimens, the fracture surface of the hydrogen-charged specimens exhibited shallower dimples without nuclei, such as secondary phase particles. These findings indicate that the presence of hydrogen enhanced the formation of lattice defects, particularly just prior to the occurrence of final fracture. This in turn enhanced the formation of shallower dimples, thereby potentially causing premature fracture of X80 pipeline steel at lower crosshead speeds.

Hydrogen passivation of electron trap in amorphous In-Ga-Zn-O thin-film transistors

Energy Technology Data Exchange (ETDEWEB)

Hanyu, Yuichiro, E-mail: y-hanyu@lucid.msl.titech.ac.jp; Domen, Kay [Materials and Structures Laboratory, Tokyo Institute of Technology, Yokohama (Japan); Nomura, Kenji [Frontier Research Center, Tokyo Institute of Technology, Yokohama (Japan); Hiramatsu, Hidenori; Kamiya, Toshio [Materials and Structures Laboratory, Tokyo Institute of Technology, Yokohama (Japan); Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama (Japan); Kumomi, Hideya [Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama (Japan); Hosono, Hideo [Materials and Structures Laboratory, Tokyo Institute of Technology, Yokohama (Japan); Frontier Research Center, Tokyo Institute of Technology, Yokohama (Japan); Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama (Japan)

2013-11-11

We report an experimental evidence that some hydrogens passivate electron traps in an amorphous oxide semiconductor, a-In-Ga-Zn-O (a-IGZO). The a-IGZO thin-film transistors (TFTs) annealed at 300 °C exhibit good operation characteristics; while those annealed at ≥400 °C show deteriorated ones. Thermal desorption spectra (TDS) of H{sub 2}O indicate that this threshold annealing temperature corresponds to depletion of H{sub 2}O desorption from the a-IGZO layer. Hydrogen re-doping by wet oxygen annealing recovers the good TFT characteristic. The hydrogens responsible for this passivation have specific binding energies corresponding to the desorption temperatures of 300–430 °C. A plausible structural model is suggested.

Thermodynamics of the hybrid interaction of hydrogen with palladium nanoparticles

NARCIS (Netherlands)

Griessen, R.P.; Strohfeldt, N.; Giessen, H.

2015-01-01

Palladium-hydrogen is a prototypical metal-hydrogen system. It is therefore not at all surprising that a lot of attention has been devoted to the absorption and desorption of hydrogen in nanosized palladium particles. Several seminal articles on the interaction of H with Pd nanocubes and

Modelling for Near-Surface Transport Dynamics of Hydrogen of Plasma Facing Materials by use of Cellular Automaton

International Nuclear Information System (INIS)

Shimura, K.; Terai, T.; Yamawaki, M.

2003-01-01

In this study, the kinetics of desorption of adsorbed hydrogen from an ideal metallic surface is modelled in Cellular Automaton (CA). The modelling is achieved by downgrading the surface to one dimension. The model consists of two parts that are surface migration and desorption. The former is attained by randomly sorting the particles at each time, the latter is realised by modelling the thermally-activated process. For the verification of this model, thermal desorption is simulated then the comparison with the chemical kinetics is carried out. Excellent agreement is observed from the result. The results show that this model is reasonable to express the recombinative desorption of two chemisorbed adatoms. Though, the application of this model is limited to the second-order reaction case. But it can be believed that the groundwork of modelling the transport dynamics of hydrogen through the surface under complex conditions is established

Studies of iodine adsorption and desorption on HTGR coolant circuit materials

International Nuclear Information System (INIS)

Osborne, M.F.; Compere, E.L.; de Nordwall, H.J.

1976-04-01

Safety studies of the HTGR system indicate that radioactive iodine, released from the fuel to the helium coolant, may pose a problem of concern if no attenuation of the amount of iodine released occurs in the coolant circuit. Since information on iodine behavior in this system was incomplete, iodine adsorption on HTGR materials was studied in vacuum as a function of iodine pressure and of adsorber temperature. Iodine coverages on Fe 3 O 4 and Cr 2 O 3 approached maxima of about 2 x 10 14 and 1 x 10 14 atoms/cm 2 , respectively, whereas the iodine coverage on graphite under similar conditions was found to be less by a factor of about 100. Iodine desorption from the same materials into vacuum or flowing helium was investigated, on a limited basis, as a function of iodine coverage, of adsorber temperature, and of dry vs wet helium. The rate of vacuum desorption from Fe 3 O 4 was related to the spectrum of energies of the adsorption sites. A small amount of water vapor in the helium enhanced desorption from iron powder but appeared to have less effect on desorption from the metal oxides

Nanodiamond for hydrogen storage: temperature-dependent hydrogenation and charge-induced dehydrogenation.

Science.gov (United States)

Lai, Lin; Barnard, Amanda S

2012-02-21

Carbon-based hydrogen storage materials are one of hottest research topics in materials science. Although the majority of studies focus on highly porous loosely bound systems, these systems have various limitations including use at elevated temperature. Here we propose, based on computer simulations, that diamond nanoparticles may provide a new promising high temperature candidate with a moderate storage capacity, but good potential for recyclability. The hydrogenation of nanodiamonds is found to be easily achieved, in agreement with experiments, though we find the stability of hydrogenation is dependent on the morphology of nanodiamonds and surrounding environment. Hydrogenation is thermodynamically favourable even at high temperature in pure hydrogen, ammonia, and methane gas reservoirs, whereas water vapour can help to reduce the energy barrier for desorption. The greatest challenge in using this material is the breaking of the strong covalent C-H bonds, and we have identified that the spontaneous release of atomic hydrogen may be achieved through charging of hydrogenated nanodiamonds. If the degree of induced charge is properly controlled, the integrity of the host nanodiamond is maintained, which indicates that an efficient and recyclable approach for hydrogen release may be possible. This journal is © The Royal Society of Chemistry 2012

Recombination efficiency of molecular hydrogen on interstellar grains - II: A numerical study

International Nuclear Information System (INIS)

Chakrabarti, S.K.; Ankan, Das; Kinsuk, Acharyya; Sonali, Chakrabarti

2006-05-01

Knowledge of the recombination time on the grain surfaces has been a major obstacle in deciding the production rate of molecular hydrogen and other molecules in the interstellar medium. We present a numerical study to compute this time for molecular hydrogen for various cloud and grain parameters. We also find the time dependence, particularly when a grain is freshly injected into the system. Apart from the fact that the recombination times seem to be functions of the grain parameters such as the activation barrier energy, temperature etc., our result also shows the dependence on the number of sites in the grain S and the effective accretion rate per site a s of atomic hydrogen. To put simply the average time that a pair of atomic hydrogens will take to produce one molecular hydrogen depends on how heavily the grain is already populated by atomic and molecular hydrogens and how fast the hopping and desorption times are. We show that if we write the average recombination time as T r ∼ S α /A H , where, A H is the hopping rate, then α could be much greater than 1 for all astrophysically relevant accretion rates. Thus the average formation rate of H 2 is also dependent on the grain parameters, temperature and the accretion rate. We believe that our results will affect the overall rate of the formation of complex molecules such as methanol which requires successive hydrogenation on the grain surfaces in the interstellar medium. (author)

Corrosion and hydrogen absorption of commercially pure zirconium in acid fluoride solutions

International Nuclear Information System (INIS)

Yokoyama, Ken’ichi; Yamada, Daisuke; Sakai, Jun’ichi

2013-01-01

Highlights: •Zirconium corrodes and absorbs hydrogen in acid fluoride solutions. •Hydrogen thermal desorption is observed at 300–700 °C. •The resistance to hydrogen absorption of zirconium is higher than that of titanium. -- Abstract: The corrosion and hydrogen absorption of commercially pure zirconium have been investigated in acidulated phosphate fluoride (APF) solutions. Upon immersion in 2.0% APF solution of pH 5.0 at 25 °C, a granular corrosion product (Na 3 ZrF 7 ) deposits over the entire side surface of the specimen, thereby inhibiting further corrosion. In 0.2% APF solution, marked corrosion is observed from the early stage of immersion; no deposition of the corrosion product is observed by scanning electron microscopy. A substantial amount of hydrogen absorption is confirmed in both APF solutions by hydrogen thermal desorption analysis. The amount of absorbed hydrogen of the specimen immersed in the 2.0% APF solution is smaller than that in the 0.2% APF solution in the early stage of immersion. The hydrogen absorption behavior is not always consistent with the corrosion behavior. Hydrogen thermal desorption occurs in the temperature range of 300–700 °C for the specimen without the corrosion product. Under the same immersion conditions, the amount of absorbed hydrogen in commercially pure zirconium is smaller than that in commercially pure titanium as reported previously. The present results suggest that commercially pure zirconium, compared with commercially pure titanium, is highly resistant to hydrogen absorption, although corrosion occurs in fluoride solutions

Ultrapure hydrogen thermal compressor based on metal hydrides for fuel cells and hybrid vehicles

International Nuclear Information System (INIS)

Almasan, V.; Biris, A.; Coldea, I.; Lupu, D.; Misan, I.; Popeneciu, G.; Ardelean, O.

2007-01-01

Full text: In hydrogen economy, efficient compressors are indispensable elements in the storage, transport and distribution of the produced hydrogen. Energetic efficient technologies can contribute to H 2 pipelines transport to the point of use and to distribute H 2 by refuelling stations. Characteristic for metal hydrides systems is the wide area of possibilities to absorb hydrogen at low pressure from any source of hydrogen, to store and deliver it hydrogen at high pressure (compression ratio more than 30). On the basis of innovative concepts and advanced materials for H 2 storage/compression (and fast thermal transfer), a fast mass (H 2 ) and heat transfer unit will be developed suitable to be integrated in a 3 stage thermal compressor. Metal hydrides used for a three stage hydrogen compression system must have different equilibrium pressures, namely: for stage 1, low pressure H 2 absorption and resistant to poisoning with impurities of hydrogen, for stage 2, medium pressure H 2 absorption and for stage 3, high pressure hydrogen delivery (120 bar). In the case of compression device based on metallic hydrides the most important properties are the hydrogen absorption/desorption rate, a smaller process enthalpy and a great structural stability on long term hydrogen absorption/desorption cycling. These properties require metal hydrides with large differences between the hydrogen absorption and desorption pressures at equilibrium, within a rather small temperature range. The main goal of this work is to search and develop metal hydride integrated systems for hydrogen purification, storage and compression. After a careful screening three hydrogen absorbing alloys will be selected. After selection, the work up of the alloys composition on the bases of detailed solid state studies, new multi-component alloys will be developed, with suitable thermodynamic and kinetic properties for a hydrogen compressor. The results of the study are the following: new types of hydrogen

Recyclable hydrogen storage system composed of ammonia and alkali metal hydride

Energy Technology Data Exchange (ETDEWEB)

Yamamoto, Hikaru [Department of Quantum Matter, AdSM, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8530 (Japan); Miyaoka, Hiroki; Hino, Satoshi [Institute for Advanced Materials Research, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8530 (Japan); Nakanishi, Haruyuki [Higashi-Fuji Technical Center, Toyota Motor Corporation, 1200 Misyuku, Susono, Shizuoka 410-1193 (Japan); Ichikawa, Takayuki; Kojima, Yoshitsugu [Department of Quantum Matter, AdSM, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8530 (Japan); Institute for Advanced Materials Research, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8530 (Japan)

2009-12-15

Ammonia (NH{sub 3}) reacts with alkali metal hydrides MH (M = Li, Na, and K) in an exothermic reaction to release hydrogen (H{sub 2}) at room temperature, resulting that alkali metal amides (MNH{sub 2}) which are formed as by-products. In this work, hydrogen desorption properties of these systems and the condition for the recycle from MNH{sub 2} back to MH were investigated systematically. For the hydrogen desorption reaction, the reactivities of MH with NH{sub 3} were better following the atomic number of M on the periodic table, Li < Na < K. It was confirmed that the hydrogen absorption reaction of all the systems proceeded under 0.5 MPa of H{sub 2} flow condition below 300 C. (author)

Carbon compound used in hydrogen storage

International Nuclear Information System (INIS)

Iturbe G, J.L.; Lopez M, B.E.

2004-01-01

In the present work it is studied the activated carbon of mineral origin for the sorption of hydrogen. The carbon decreased of particle size by means of the one alloyed mechanical. The time of mill was of 10 hours. The characterization one carries out by scanning electron microscopy and X-ray diffraction. The hydrogen sipped in the carbon material it was determined using the Thermal gravimetric method (TGA). The conditions of hydrogenation went at 10 atm of pressure and ambient temperature during 18 hours. They were also carried out absorption/desorption cycles of hydrogen in the same one system of thermal gravimetric analysis. The results showed percentages of sorption of 2% approximately in the cycles carried out in the system TGA and of 4.5% in weight of hydrogen at pressure of 10 atmospheres and ambient temperature during 18 hours. (Author)

Study of the mechanisms of heavy-ion induced desorption on accelerator-relevant materials; Untersuchung der Mechanismen schwerioneninduzierter Desorption an beschleunigerrelevanten Materialien

Energy Technology Data Exchange (ETDEWEB)

Bender, Markus

2008-02-22

The ion beam loss induced desorption is a performance limitation for low charge state heavy ion accelerators. If charge exchanged projectile ions get lost onto the beam pipe, desorption of gas is stimulated resulting in a pressure increase inside of the synchrotron and thus, a dramatically reduction of the beam life time. To minimize the amount of desorbed gas an experimental program has been started to measure the desorption yields (released gas molecules per incident ion) of various materials and different projectile ions. The present work is a contribution to the understanding of the physical processes behind the ion beam loss induced desorption. The yield measurements by the pressure rise method have been combined for the rst time with in situ ion beam analysis technologies such as ERDA and RBS. With this unique method the desorption behavior of a sample can be correlated to its surface and bulk properties. The performed experiments with 1,4 MeV/u Xenon-Ions show that the ion induced desorption is mainly a surface effect. Sputtered oxide layers or impurities do not contribute to the desorbed gas significantly. Nevertheless bulk properties play an important role in the desorption strength. Pure metallic samples desorb less gas than isolating materials under swift heavy ion irradiation. From the experimental results it was possible to estimate the desorption yields of various materials under ion bombardment by means of an extended inelastic thermal-spike-model. The extension is the combination of the thermal-spike's temperature map with thermal desorption. Within this model the ion induced desorption can be regarded as the release of adsorbates from a transient overheated spot on the samples surface around the ion impact. Finally a copper substrate with a gold coated surface was developed and proposed as a suitable material for a beam loss collimator with minimum desorption to ensure the performance of GSI's SIS18 in high current beam operation. (orig.)

Hydrogen Storage using Metal Hydrides in a Stationary Cogeneration System

International Nuclear Information System (INIS)

Botzung, Maxime; Chaudourne, Serge; Perret, Christian; Latroche, Michel; Percheron-Guegan, Annick; Marty Philippe

2006-01-01

In the frame of the development of a hydrogen production and storage unit to supply a 40 kW stationary fuel cell, a metal hydride storage tank was chosen according to its reliability and high energetic efficiency. The study of AB5 compounds led to the development of a composition adapted to the project needs. The absorption/desorption pressures of the hydride at 75 C (2 / 1.85 bar) are the most adapted to the specifications. The reversible storage capacity (0.95 %wt) has been optimized to our work conditions and chemical kinetics is fast. The design of the Combined Heat and Power CHP system requires 5 kg hydrogen storage but in a first phase, only a 0.1 kg prototype has been realised and tested. Rectangular design has been chosen to obtain good compactness with an integrated plate fin type heat exchanger designed to reach high absorption/desorption rates. In this paper, heat and mass transfer characteristics of the Metal Hydride tank (MH tank) during absorption/desorption cycles are given. (authors)

Thermally-driven hydrogen interaction with single-layer graphene on SiO2/Si substrates

International Nuclear Information System (INIS)

Feijo, Tais Orestes; Rolim, Guilherme Koszeniewski; Radtke, Claudio; Soares, Gabriel Vieira

2016-01-01

Full text: Graphene is a monolayer of carbon with sp 2 hybridization and hexagonal structure. Since all its area is exposed to the atmosphere, it is important to understand how graphene interacts with elements present in the atmosphere, such as hydrogen, oxygen and water, to control the processes of manufacturing [1]. In addition, some studies show that graphene can allow storage of hydrogen for use in fuel cells, which would contribute to the use of clean energies. This study aims to understand the thermally-driven hydrogen interaction with graphene samples. We used samples of graphene deposited on SiO 2 (285 nm) films on Si and then annealed in controlled atmosphere of deuterium (D 2 , natural abundance of 0.15%) at temperatures between 200 and 1000°C. We also investigated hydrogen desorption from graphene using samples previously treated in deuterium at 600°C and afterwards annealed in nitrogen atmosphere between 200 and 1000°C. After annealings, Nuclear Reaction Analysis (NRA) was employed to quantify deuterium, where we observed a large increase in deuterium incorporation above 400°C, with an constant D incorporation until 1000°C. We also observed that the desorption of deuterium from graphene only occurred above 800°C, although D desorption from silicon oxide samples takes place already at 600°C. Raman spectroscopy analysis was performed after each thermal treatment. Results show that defects in the graphene structure increases for higher treatment temperatures in incorporation and in desorption steps. Characterization using X-Ray Photoelectron Spectroscopy (XPS) and Near Edge X-ray Absorption Fine Structure (NEXAFS) will also be presented. [1] A. C. Ferrari, et al., Nanoscale 7 (2015). (author)

Influence of adsorbed carbon dioxide on hydrogen electrosorption in palladium-platinum-rhodium alloys

International Nuclear Information System (INIS)

Lukaszewski, M.; Grden, M.; Czerwinski, A.

2004-01-01

Carbon dioxide electroreduction was applied to examine the processes of hydrogen electrosorption (adsorption, absorption and desorption) by thin electrodeposits of Pd-Pt-Rh alloys under conditions of cyclic voltammetric (CV) experiments. Due to different adsorption characteristics towards the adsorption product of the electroreduction of CO 2 (reduced CO 2 ) exhibited by the alloy components hydrogen adsorption and hydrogen absorption signals can be distinguished on CV curves. Reduced CO 2 causes partial blocking of hydrogen adsorbed on surface Pt and Rh atoms, without any significant effect on hydrogen absorption into alloy. It reflects the fact that adsorbed hydrogen bonded to Pd atoms does not participate in CO 2 reduction, while hydrogen adsorbed on Pt and Rh surface sites is inactive in the absorption reaction. In contrast, CO is adsorbed on all alloy components and causes a marked inhibition of hydrogen sorption (both adsorption and absorption)/desorption reactions

The role of radiation damage on retention and temperature intervals of helium and hydrogen detrapping in structural materials

Energy Technology Data Exchange (ETDEWEB)

Tolstolutskaya, G.D., E-mail: g.d.t@kipt.kharkov.ua [National Science Center “Kharkov Institute of Physics and Technology”, 1, Akademicheskaya St., 61108 Kharkov (Ukraine); Ruzhytskyi, V.V.; Voyevodin, V.N.; Kopanets, I.E.; Karpov, S.A.; Nikitin, A.V. [National Science Center “Kharkov Institute of Physics and Technology”, 1, Akademicheskaya St., 61108 Kharkov (Ukraine)

2013-11-15

An experimental study of hydrogen/deuterium behavior in ferritic–martensitic stainless steels EP-450 (Cr13Mo2NbVB), EP-852 (Cr13Mo2VS), and RUSFER-EK-181 (Fe12Cr2WVTaB) is presented. The effect of displacement damage (dpa) resulting from irradiation with helium, hydrogen, and argon ions on features of deuterium detrapping and retention in steels was studied using ion implantation, nuclear reaction depth profiling, and thermal desorption spectrometry techniques. Numerical simulation on the basis of the continuum rate theory was applied for obtaining thermodynamic parameters of deuterium trapping and desorption in steels.

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.)

Anelastic mechanical loss spectrometry of hydrogen in austenitic stainless steels

International Nuclear Information System (INIS)

Yagodzinskyy, Y.; Andronova, E.; Ivanchenko, M.; Haenninen, H.

2009-01-01

Atomic distribution of hydrogen, its elemental diffusion jumps and its interaction with dislocations in a number of austenitic stainless steels are studied with anelastic mechanical loss (AML) spectrometry in combination with the hydrogen thermal desorption method. Austenitic stainless steels of different chemical composition, namely, AISI 310, AISI 201, and AISI 301LN, as well as LDX 2101 duplex stainless steel are studied to clarify the role of different alloying elements on the hydrogen behavior. Activation analyses of the hydrogen Snoek-like peaks are performed with their decomposition to sets of Gaussian components. Fine structure of the composite hydrogen peaks is analyzed under the assumption that each component corresponds to diffusion transfer of hydrogen between octahedral positions with certain atomic compositions of the nearest neighbouring lattice sites. An additional component originating from hydrogen-dislocation interaction is considered. Binding energies for hydrogen-dislocation interaction are also estimated for the studied austenitic stainless steels.

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.

Hydrogen absorption/desorption properties in the TiCrV based alloys

Directory of Open Access Journals (Sweden)

A. Martínez

2012-10-01

Full Text Available Three different Ti-based alloys with bcc structure and Laves phase were studied. The TiCr1.1V0.9, TiCr1.1V0.45Nb0.45 and TiCr1.1V0.9 + 4%Zr7Ni10 alloys were melted in arc furnace under argon atmosphere. The hydrogen absorption capacity was measured by using aparatus type Sievert's. Crystal structures, and the lattice parameters were determined by using X-ray diffraction, XRD. Microestructural analysis was performed by scanning electron microscope, SEM and electron dispersive X-ray, EDS. The hydrogen storage capacity attained a value of 3.6 wt. (% for TiCr1.1V0.9 alloy in a time of 9 minutes, 3.3 wt. (% for TiCr1.1V0.45Nb0.45 alloy in a time of 7 minutes and 3.6 wt. (% TiCr1.1V0.9 + 4%Zr7Ni10 with an increase of the hydrogen absorption kinetics attained in 2 minutes. This indicates that the addition of Nb and 4%Zr7Ni10 to the TiCrV alloy acts as catalysts to accelerate the hydrogen absorption kinetics.

Study of defects near molybdenum surface using thermal desorption spectrometer

International Nuclear Information System (INIS)

Naik, P.K.

1980-01-01

Thermal desorption spectrometry is utilized to study the migration of atoms and defects near molybdenum surface. The thermal desorption spectra of inert gas ions (neon, argon and krypton) injected with various energies (430-1950 eV) into a polycrystalline molybdenum target with various dosages (6.4 x 10sup(12) - 3.9 x 10sup(14) ions/cmsup(2)) are investigated. Four different states of binding of the trapped atoms corresponding to the activation energies for desorption have been revealed from the spectra. The activation energies are found to be relatively insensitive to the species of the bombarding ion, incident ion energy and the dosage. The patterns of the spectra are strongly influenced by the mean projected range of the ions into the solid. The activation energies deduced are in good agreement with those reported for the migration of atoms and defects in molybdenum. (auth.)

Gas-phase hydrogenation of benzene on supported nickel catalyst

Energy Technology Data Exchange (ETDEWEB)

Franco, H.A.; Phillips, M.J.

1980-06-01

The reaction of 22.66-280 Pa benzene with 72.39-122.79 Pa hydrogen on kieselguhr-supported nickel at 392.2/sup 0/-468.2/sup 0/K yielded only cyclohexane and was independent of 5.33-40 Pa cyclohexane added to the feed of the differential flow reactor. Best fit for the kinetic data was obtained with a rate equation developed by van Meerten and Coenen which assumed that all hydrogen addition steps have the same rate constant and are slow. An observed rate maximum at 458/sup 0/K may be the result of an increasing rate constant and decreasing cyclohexyl surface coverage as the temperature increases. Temperature-programed hydrogen desorption showed a series of desorption peaks at 358/sup 0/-600/sup 0/K, including one at 453/sup 0/K, which may be due to the hydrogen involved in the surface reaction.

TEM studies of nanostructure in melt-spun Mg-Ni-La alloy manifesting enhanced hydrogen desorbing kinetics

International Nuclear Information System (INIS)

Tanaka, K.; Miwa, T.; Sasaki, K.; Kuroda, K.

2009-01-01

The hydrogen storage properties of a magnesium-rich Mg-Ni-La alloy prepared by melt-spinning are significantly improved by nanostructure formation during crystallization and activation. It can absorb and desorb ∼5 wt% hydrogen at temperatures as low as 200 deg. C in moderate time periods. Transmission electron microscopic (TEM) studies on this alloy indicate that the nanostructure, consisting of LaH 3 and Mg 2 NiH 4 nano-particles dispersed homogeneously in MgH 2 matrices after hydrogenation, is rather stable at temperatures below 300 deg. C but undergoes coarsening and segregation of these particles and matrices above ∼400 deg. C. These structural changes have been confirmed by electron energy-loss spectroscopic (EELS) imaging as well as high-resolution TEM techniques. A new EELS peak associated with a plasmon excitation in the MgH 2 phase (H-plasmon) is found for the first time in this study. By imaging the H-plasmon peak, the hydrogen distribution in the alloy has been clearly visualized. We have succeeded in observing the hydrogen desorption process at ∼400 deg. C in-situ in the microscope using this EELS imaging technique.

Micro study of the structural modifications induced by absorption of hydrogen in LaNi4.25Co0.75

International Nuclear Information System (INIS)

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

2000-01-01

Many intermetallic elements (rare earth gold transition metals) have significant properties that will affect the adsorption of hydrogen. Within the properties, particularly of those composed of AB n , hydrogenation is affected by temperature and environmental pressure. Moreover, the reaction can also be done in electrochemical medium. These remarkable properties made it possible to develop batteries of standard nickel hydride which today largely replace the Nickel Cadmium batteries. However, mechanisms brought into play at an atomic scale during the cycles of absorption-desorption are still badly known. We present here a study by X-ray diffraction of substitute compositions for LaNi 4.25 Co 0.75 cobalt subjected to the absorption effects of hydrogen. The evolutions of profile E lines of elements before and after cycling are studied and compared

Effect of multi-wall carbon nanotubes supported nano-nickel and TiF{sub 3} addition on hydrogen storage properties of magnesium hydride

Energy Technology Data Exchange (ETDEWEB)

Su, Wei; Zhu, Yunfeng, E-mail: yfzhu@njtech.edu.cn; Zhang, Jiguang; Liu, Yana; Yang, Yang; Mao, Qifeng; Li, Liquan

2016-06-05

Multi-wall carbon nanotubes supported nano-nickel (Ni/MWCNTs) with superior catalytic effects was introduced to magnesium hydride by the process of hydriding combustion synthesis (HCS) and mechanical milling (MM). The effect of different Ni/MWCNTs contents (5 wt.%, 10 wt.%, 15 wt.%, 20 wt.%) on the hydrogenation and dehydrogenation properties of the composite was investigated systematically. It is revealed that Mg{sub 85}-(Ni/MWCNTs){sub 15} composite shows the best comprehensive hydrogen storage properties, which absorbs 5.68 wt.% hydrogen within 100 s at 373 K and releases 4.31 wt.% hydrogen within 1800 s at 523 K under initial hydrogen pressures of 3.0 and 0.005 MPa, respectively. The in situ formed nano-Mg{sub 2}Ni and MWCNTs have excellent catalytic effect on the hydrogenation and dehydrogenation performances of MgH{sub 2}. To further improve the hydrogen absorption/desorption properties, TiF{sub 3} was added to the Mg–Ni/MWCNTs system. The result shows that TiF{sub 3} addition has little influence on the thermodynamic performance, but affects greatly the kinetic properties. The Mg{sub 85}-(Ni/MWCNTs){sub 15}-TiF{sub 3} composite exhibits an appreciably enhanced hydrogen desorption performance at low temperature, and the hydrogen desorption capacity within 1800 s at 473 K for the TiF{sub 3}-added composite is approximately four times the capacity of Mg{sub 85}-(Ni/MWCNTs){sub 15} under the same condition. The catalytic effects during hydrogenation and dehydrogenation have been discussed in the study. - Highlights: • The nanosized Ni/MWCNTs catalyst was successfully prepared. • Ni/MWCNTs shows superior catalytic effect on H absorption/desorption of Mg. • Mg{sub 85}-(Ni/MWCNTs){sub 15} composite shows the best hydrogen storage properties. • Ni/MWCNTs coupling with TiF{sub 3} improves the hydriding/dehydriding properties largely.

Data compilation for radiation effects on hydrogen recycle in fusion reactor materials

International Nuclear Information System (INIS)

Ozawa, Kunio; Fukushima, Kimichika; Ebisawa, Katsuyuki.

1984-05-01

Irradiation tests of materials by hydrogen isotopes are under way, to investigate the hydrogen recycling process where exchange of fuel particles takes place between plasma and the wall of the nuclear fusion reactor. In the report, data on hydrogen irradiation are collected and reviewed from the view point of irradiation effects. Data are classified into, (1) Re-emmission, (2) Retention, (Retained hydrogen isotopes, Depth profile in the materials and Thermal desorption spectroscopy), (3) Permeation and (4) Ion impact desorption. Research activities in each area are arranged according to the date of publication, research institutes, materials investigated, so that overview of present status can be made. Then, institute, author and reference are shown for each classification with tables. The list of literature is also attached. (author)

Mechanism of NH{sub 3} desorption during the reaction of H{sub 2} with nitrogen containing carbonaceous materials

Energy Technology Data Exchange (ETDEWEB)

Juan F. Espinal; Thanh N. Truong; Fanor Mondragon [University of Antioquia, Medellin (Colombia). Institute of Chemistry

2005-07-01

The continued increase in demand for natural gas has stimulated the interest in coal conversion to methane as synthetic natural gas by hydropyrolysis of coal (pyrolysis in a H{sub 2} atmosphere). Because the produced raw gas contains considerable amounts of gaseous N-containing products that have to be removed before delivering to final users, the information on distribution of coal-N is important for designing purification processes. It has been reported in the literature that NH{sub 3} is the main nitrogen containing gas that is released during the hydropyrolysis process. Other gases such as HCN and N{sub 2} are also released but in a much smaller amount. To the best of our knowledge, the mechanism for NH{sub 3} desorption during hydrogen reaction with carbonaceous materials has not been studied. We carried out a molecular modeling study using Density Functional Theory in order to get an insight of the mechanism and thermodynamics for NH{sub 3} evolution using pyridinic nitrogen as a model of N-containing carbonaceous material. We propose a mechanism that involves consecutive hydrogenation steps that lead to C-N bond breakage and NH{sub 3} desorption to the gas phase. It was found that the first hydrogenation reaction is highly exothermic. However, further hydrogenations are endothermic. Several pathways for NH{sub 3} evolution were proposed and most of them show high exothermicity. 17 refs., 2 figs.

Effect of hydrogen on stresses in anodic oxide film on titanium

International Nuclear Information System (INIS)

Kim, Joong-Do; Pyun, Su-Il; Seo, Masahiro

2003-01-01

Stresses in anodic oxide film on titanium thin film/glass electrode in pH 8.4 borate solution were investigated by a bending beam method. The increases in compressive stress observed with cathodic potential sweeps after formation of anodic oxide film were attributed to the volume expansion due to the compositional change of anodic oxide film from TiO 2 to TiO 2-x (OH) x . The instantaneous responses of changes in stress, Δσ, in the anodic oxide film to potential steps demonstrated the reversible characteristic of the TiO 2-x (OH) x formation reaction. In contrast, the transient feature of Δσ for the titanium without anodic oxide film represented the irreversible formation of TiH x at the metal/oxide interphase. The large difference in stress between with and without the oxide film, has suggested that most of stresses generated during the hydrogen absorption/desorption reside in the anodic oxide film. A linear relationship between changes in stress, Δ(Δσ) des , and electric charge, ΔQ des , during hydrogen desorption was found from the current and stress transients, manifesting that the stress changes were crucially determined by the amount of hydrogen desorbed from the oxide film. The increasing tendency of -Δ(Δσ) des with increasing number of potential steps and film formation potential were discussed in connection with the increase in desorption amount of hydrogen in the oxide film with increasing absorption/desorption cycles and oxide film thickness

A study of the process of desorption of hexavalent chromium

Directory of Open Access Journals (Sweden)

W.B. Amorim

2003-09-01

Full Text Available In this work the process of desorption of hexavalent chromium, a toxic metal ion, from the marine algae Sargassum sp, following biosorption experiments 2³ factorial design was studied. A technique was applied to three eluents: HCl, H2SO4 and EDTA. Three factors of importance were evaluated: concentration of eluent, the ratio between mass of biosorbent and volume of eluent (S/L and process time. A statistical analysis of the experimental results showed that the three variables evaluated are significant for all three eluents. The models for chromium desorption were validated, as the results agreed well with the observed values. Through use of the response surface methodology, a factorial design based optimization technique; it was possible to identify the most suitable eluent and the interval of values for the process variables that resulted in the most significant desorption of chromium, which is relevant information for work aiming at process optimization.

A comparison of hydrogen vs. helium glow discharge effects on fusion device first-wall conditioning

International Nuclear Information System (INIS)

Dylla, H.F.

1989-09-01

Hydrogen- and deuterium-fueled glow discharges are used for the initial conditioning of magnetic fusion device vacuum vessels following evacuation from atmospheric pressure. Hydrogenic glow discharge conditioning (GDC) significantly reduces the near-surface concentration of simple adsorbates, such as H 2 O, CO, and CH 4 , and lowers ion-induced desorption coefficients by typically three orders of magnitude. The time evolution of the residual gas production observed during hydrogen-glow discharge conditioning of the carbon first-wall structure of the TFTR device is similar to the time evolution observed during hydrogen GDC of the initial first-wall configuration in TFTR, which was primarily stainless steel. Recently, helium GDC has been investigated for several wall-conditioning tasks on a number of tokamaks including TFTR. Helium GDC shows negligible impurity removal with stainless steel walls. For impurity conditioning with carbon walls, helium GDC shows significant desorption of H 2 O, CO, and CO 2 ; however, the total desorption yield is limited to the monolayer range. In addition, helium GDC can be used to displace hydrogen isotopes from the near-surface region of carbon first-walls in order to lower hydrogenic retention and recycling. 38 refs., 6 figs

Hydrogen storage in hybrid of layered double hydroxides/reduced graphene oxide using spillover mechanism

International Nuclear Information System (INIS)

Ensafi, Ali A.; Jafari-Asl, Mehdi; Nabiyan, Afshin; Rezaei, Behzad; Dinari, Mohammad

2016-01-01

New efficient hydrogen storage hybrids were fabricated based on hydrogen spillover mechanism, including chemisorptions and dissociation of H_2 on the surface of LDH (layered double hydroxides) and diffusion of H to rGO (reduced graphene oxide). The structures and compositions of all of the hybrids (LDHs/rGO) have been verified using different methods including transmission electron microscopy, X ray diffraction spectroscopy, infrared spectroscopy and Brunauer–Emmett–Teller analysis. Then, the abilities of the LDHs/rGOs, as hydrogen spillover, were investigated by electrochemical methods. In addition, the LDHs/rGOs were decorated with palladium, using redox replacement process, and their hydrogen spillover properties were studied. The results showed that the hydrogen adsorption/desorption kinetics, hydrogen storage capacities and stabilities of Pd"#LDH/rGOs are better than Pd/rGO. Finally presence of different polymers (synthesis with monomers, 4–aminophenol, 4–aminothiophenol, o-phenylenediamine and p-phenylenediamine) at the surface of the Pd#LDH/rGOs on hydrogen storage were studied. The results showed that presence of o-phenylenediamine and p-phenylenediamine improves the kinetics of the hydrogen adsorption/desorption and increase the capacity of the hydrogen storage. - Highlights: • Efficient hydrogen storage sorbents are introduced. • The sorbents are synthesized based on hybrids of layered double hydroxide. • The compositions of all of the hybrids are verified using different methods. • Pd nanoparticles modified nanohybrids are investigated for hydrogen storage. • Presence of different polymers beside the hydrogen sorbents are investigated.

Hydriding properties of amorphous Ni-B alloy studied by DSC and thermogravimetry

International Nuclear Information System (INIS)

Spassov, T.; Rangelova, V.

1999-01-01

The hydrogenation behaviour of melt-spun Ni 81.5 B 18.5 amorphous alloy was studied by means of differential scanning calorimetry (DSC) and thermogravimetry (TG) and compared with the hydriding properties of a Fe-B-Si glass. It was found that the amorphous Ni-B alloy absorbs larger amounts of hydrogen than the Fe-B-Si glass, as the initial kinetics of hydrogen absorption and desorption of both the alloys are comparable. Hydrogen absorption and desorption reactions in Ni-B were observed to proceed with similar rates at ca. 300 K. The hydrogen desorption is revealed in DSC as an endothermic peak in the 350-450 K range, preceding the crystallization peak of the amorphous alloy. The enthalpy of hydrogen desorption (ΔH des =22 kJ/mol H 2 ) for Ni-B was found to be smaller than that for the Fe-B-Si glass, which finding is in contrast to the results on hydrogen diffusion in crystalline αFe and Fe-based alloys and Ni and Ni-based alloys. The hydrogen desorption temperature and enthalpy for Ni 81.5 B 18.5 were found to be independent of the amount of hydrogen absorbed. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

Hydrogenation properties and microstructure of Ti-Mn-based alloys for hybrid hydrogen storage vessel

International Nuclear Information System (INIS)

Shibuya, Masachika; Nakamura, Jin; Akiba, Etsuo

2008-01-01

Ti-Mn-based AB 2 -type alloys which are suitable for a hybrid hydrogen storage vessel have been synthesized and evaluated hydrogenation properties. As the third element V was added to Ti-Mn binary alloys. All the alloys synthesized in this work mainly consist of the C14 Laves and BCC phase. In the case of Ti0.5V0.5Mn alloy, the amounts of hydrogen absorption was 1.8 wt.% at 243 K under the atmosphere of 7 MPa H 2 , and the hydrogen desorption pressure was in the range of 0.2-0.4 MPa at 243 K. The hydrogen capacity of this alloy did not saturate under 7 MPa H 2 and seems to increase with hydrogen pressure up to 35 MPa that is estimated working pressure of the hybrid hydrogen storage vessel

DNA adsorption and desorption on mica surface studied by atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Sun Lanlan [State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Graduate school of the Chinese Academy of Sciences, Chinese Academy of Sciences, Renmin Street 5625, Changchun 130022 (China); Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 16 East Nan-Hu Road, Open Economic Zone, Changchun 130033 (China); Zhao Dongxu [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 16 East Nan-Hu Road, Open Economic Zone, Changchun 130033 (China); Zhang Yue; Xu Fugang [State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Graduate school of the Chinese Academy of Sciences, Chinese Academy of Sciences, Renmin Street 5625, Changchun 130022 (China); Li Zhuang, E-mail: zli@ciac.jl.cn [State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Graduate school of the Chinese Academy of Sciences, Chinese Academy of Sciences, Renmin Street 5625, Changchun 130022 (China)

2011-05-15

The adsorption of DNA molecules on mica surface and the following desorption of DNA molecules at ethanol-mica interface were studied using atomic force microscopy. By changing DNA concentration, different morphologies on mica surface have been observed. A very uniform and orderly monolayer of DNA molecules was constructed on the mica surface with a DNA concentration of 30 ng/{mu}L. When the samples were immersed into ethanol for about 15 min, various desorption degree of DNA from mica (0-99%) was achieved. It was found that with the increase of DNA concentration, the desorption degree of DNA from the mica at ethanol-mica interface decreased. And when the uniform and orderly DNA monolayers were formed on the mica surface, almost no DNA molecule desorbed from the mica surface in this process. The results indicated that the uniform and orderly DNA monolayer is one of the most stable DNA structures formed on the mica surface. In addition, we have studied the structure change of DNA molecules after desorbed from the mica surface with atomic force microscopy, and found that the desorption might be ascribed to the ethanol-induced DNA condensation.

DNA adsorption and desorption on mica surface studied by atomic force microscopy

International Nuclear Information System (INIS)

Sun Lanlan; Zhao Dongxu; Zhang Yue; Xu Fugang; Li Zhuang

2011-01-01

The adsorption of DNA molecules on mica surface and the following desorption of DNA molecules at ethanol-mica interface were studied using atomic force microscopy. By changing DNA concentration, different morphologies on mica surface have been observed. A very uniform and orderly monolayer of DNA molecules was constructed on the mica surface with a DNA concentration of 30 ng/μL. When the samples were immersed into ethanol for about 15 min, various desorption degree of DNA from mica (0-99%) was achieved. It was found that with the increase of DNA concentration, the desorption degree of DNA from the mica at ethanol-mica interface decreased. And when the uniform and orderly DNA monolayers were formed on the mica surface, almost no DNA molecule desorbed from the mica surface in this process. The results indicated that the uniform and orderly DNA monolayer is one of the most stable DNA structures formed on the mica surface. In addition, we have studied the structure change of DNA molecules after desorbed from the mica surface with atomic force microscopy, and found that the desorption might be ascribed to the ethanol-induced DNA condensation.

Ageing of Mg-Ni-H hydrogen storage alloys

Czech Academy of Sciences Publication Activity Database

Čermák, Jiří; Král, Lubomír

2012-01-01

Roč. 37, OCT (2012), s. 14257-14264 ISSN 0360-3199 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068; GA ČR GA106/09/0814; GA ČR(CZ) GAP108/11/0148 Institutional research plan: CEZ:AV0Z20410507 Keywords : Magnesium alloys * Hydrogen desorption * Hydrogen storage * Hydrogen-storage materials * Ageing Subject RIV: JG - Metallurgy Impact factor: 3.548, year: 2012

The Inverse Problem of Identification of Hydrogen Permeability Model

Directory of Open Access Journals (Sweden)

Yury V. Zaika

2018-01-01

Full Text Available One of the technological challenges for hydrogen materials science is the currently active search for structural materials with important applications (including the ITER project and gas-separation plants. One had to estimate the parameters of diffusion and sorption to numerically model the different scenarios and experimental conditions of the material usage (including extreme ones. The article presents boundary value problems of hydrogen permeability and thermal desorption with dynamical boundary conditions. A numerical method is developed for TDS spectrum simulation, where only integration of a nonlinear system of low order ordinary differential equations is required. The main final output of the article is a noise-resistant algorithm for solving the inverse problem of parametric identification for the aggregated experiment where desorption and diffusion are dynamically interrelated (without the artificial division of studies into the diffusion limited regime (DLR and the surface limited regime (SLR.

Desorption isotherms of cementitious materials: study of an accelerated protocol and estimation of RVE

International Nuclear Information System (INIS)

Wu, Qier

2014-01-01

In the framework of French radioactive waste management and storage, the durability evaluation and prediction of concrete structures requires the knowledge of desorption isotherm of concrete. The aim of the present study is to develop an accelerated experimental method to obtain desorption isotherm of cementitious materials more quickly and to estimate the Representative Volume Element (RVE) size related to the desorption isotherm of concrete. In order to ensure that experimental results can be statistically considered representative, a great amount of sliced samples of cementitious materials with three different thicknesses (1 mm, 2 mm and 3 mm) have been de-saturated. The effect of slice thickness and the saturation condition on the mass variation kinetics and the desorption isotherms is analyzed. The influence of the aggregate distribution on the water content and the water saturation degree is also analyzed. A method based on statistical analysis of water content and water saturation degree is proposed to estimate the RVE for water desorption experiment of concrete. The evolution of shrinkage with relative humidity is also followed for each material during the water desorption experiment. A protocol of cycle of rapid desaturation-re-saturation is applied and shows the existence of hysteresis between desorption and adsorption. (author)

A micro-fabricated hydrogen storage module with sub-atmospheric activation and durability in air exposure

Energy Technology Data Exchange (ETDEWEB)

Shan, Xi; Payer, Joe H. [Corrosion and Reliability Engineering, Department of Chemical and Biomolecular Engineering, University of Akron, 302 Buchtel Common, Akron, OH 44325 (United States); Wainright, Jesse S.; Dudik, Laurie [Department of Chemical Engineering, Case Western Reserve University, Cleveland, OH 44106 (United States)

2011-01-15

The objective of this work was to develop a hydrogen storage module for onboard electrical power sources suitable for use in micro-power systems and micro-electro-mechanical systems (MEMS). Hydrogen storage materials were developed as thin-film inks to be compatible with an integrated manufacturing process. Important design aspects were (a) ready activation at sub-atmospheric hydrogen pressure and room temperature and (b) durability, i.e. capable of hundreds of absorption/desorption cycles and resistance to deactivation on exposure to air. Inks with palladium-treated intermetallic hydrogen storage alloys were developed and are shown here to be compatible with a thin-film micro-fabrication process. These hydrogen storage modules absorb hydrogen readily at atmospheric pressure, and the absorption/desorption rates remained fast even after the ink was exposed to air for 47 weeks. (author)

The kinetics of hydrogen removal from liquid sodium

International Nuclear Information System (INIS)

Gwyther, J.R.; Whittingham, A.C.

1981-01-01

The rates of hydrogen removal from liquid sodium-sodium hydride mixtures have been measured as a function of sodium stirring rate at temperatures up to 420 0 C. Two techniques have been employed - removal under continuous evacuation in which hydrogen flow rates were measured using a capillary flow technique and by argon purging in which hydrogen concentrations in the argon carrier gas were measured by gas chromatography. The results have been used to assess the feasibility of thermal decomposition of sodium hydride for the regeneration of hydride-laden LMFBR cold traps. Studies on the kinetics of desorption of hydrogen from solution in liquid sodium at temperatures up to 400 0 C are also presented and possible kinetic mechanisms discussed. (orig.)

Hydrogenation of carbon monoxide over supported palladium catalysts

Energy Technology Data Exchange (ETDEWEB)

Fujimoto, K.; Hashimoto, H.; Kunugi, T.

1978-03-01

An alumina-supported 2% palladium catalyst had higher activity for carbon monoxide hydrogenation than a silica-supported 2% palladium catalyst, at 250/sup 0/-400/sup 0/C and 1 atm. The addition of lanthanum oxide or thorium oxide, but not of potassium oxide, to the silica-supported catalyst increased the conversion at 350/sup 0/C from 1.1% to 81.0% with a selectivity of 56.1% for methane, 1.4% for C/sub 2/ compounds, 0.1% for C/sub 3/ compounds, and 42.5% for carbon dioxide. Temperature-programed desorption of carbon monoxide in a hydrogen stream showed that of two desorption peaks observed for carbon monoxide, the one at higher temperature corresponded to the carbon monoxide species which hydrogenates to methane and that the area of this peak increased with increasing thorium content of the catalyst. Graphs, tables, and 12 references.

Hydrogen adsorption and desorption in carbon nanotube systems and its mechanisms

Energy Technology Data Exchange (ETDEWEB)

Shiraishi, M.; Takenobu, T.; Ata, M. [Materials Laboratories, SONY Corporation, Shin-Sakuragaoka 2-1-1, Hodogaya-ku, 240-0036, Yokohama (Japan); Kataura, H. [Department of Physics, Faculty of Science, Tokyo Metropolitan University, Minami-Osawa, Hachioji, 192-0397, Tokyo (Japan)

2004-04-01

The hydrogen physisorption properties in single-walled carbon nanotube (SWNT) based materials were characterized. The SWNTs were highly purified and three useful pores for hydrogen physisorption were activated. Hydrogen was physisorbed in intra-tube pores at room temperature and the capacity was estimated to be about 0.3-0.4 wt. % at room temperature. The adsorption capacity can be explained by the Langmuir model. The intra-tube pores have large adsorption potential and this induces hydrogen physisorption at comparatively higher temperatures. This fact indicates the importance of fabricating sub-nanometer ordered pores for this phenomena. (orig.)

ECO LOGIC INTERNATIONAL GAS-PHASE CHEMICAL REDUCTION PROCESS - THE THERMAL DESORPTION UNIT - APPLICATIONS ANALYSIS REPORT

Science.gov (United States)

ELI ECO Logic International, Inc.'s Thermal Desorption Unit (TDU) is specifically designed for use with Eco Logic's Gas Phase Chemical Reduction Process. The technology uses an externally heated bath of molten tin in a hydrogen atmosphere to desorb hazardous organic compounds fro...

Studies of Modified Hydrogen Storage Intermetallic Compounds Used as Fuel Cell Anodes

Directory of Open Access Journals (Sweden)

Rui F. M. Lobo

2011-12-01

Full Text Available The possibility of substituting Pt/C with the hydrogen storage alloy MlNi3.6Co0.85Al0.3Mn0.3 as the anode active material of a proton exchange membrane fuel cell system has been analyzed. The electrochemical properties indicate that a much more electrochemically active anode is obtained by impregnating the active material loaded anode in a Nafion proton conducting polymer. Such performance improvement might result from the increase of three-phase boundary sites or length in the gas diffusion electrode where the electrochemical reaction occurs. The experimental data revealed that the membrane electrode assembly (MEA shows better results when the anode active material, MlNi3.6Co0.85Al0.3Mn0.3, is treated with a hot alkaline KBH4 solution, and then chemically coated with 3 wt.% Pd. The MEA with the aforesaid modification presents an enhanced surface capability for hydrogen adsorption, and has been studied by molecular beam-thermal desorption spectrometry.

Hydrogen storage in Mg-Ni-Fe compounds prepared by melt spinning and ball milling

Energy Technology Data Exchange (ETDEWEB)

Palade, P. [Settore Materiali, Dipartimento di Ingegneria Meccanica, Universita di Padova, via Marzolo 9, 35131 Padova (Italy); National Institute for Physics of Materials, Atomistilor 105 bis, P.O. Box MG-7, 077125 Bucharest-Magurele (Romania); Sartori, S. [Settore Materiali, Dipartimento di Ingegneria Meccanica, Universita di Padova, via Marzolo 9, 35131 Padova (Italy); Maddalena, A. [Settore Materiali, Dipartimento di Ingegneria Meccanica, Universita di Padova, via Marzolo 9, 35131 Padova (Italy); Principi, G. [Settore Materiali, Dipartimento di Ingegneria Meccanica, Universita di Padova, via Marzolo 9, 35131 Padova (Italy)]. E-mail: giovanni.principi@unipd.it; Lo Russo, S. [Dipartimento di Fisica, Universita di Padova, Via Marzolo 8, 35131 Padova (Italy); Lazarescu, M. [National Institute for Physics of Materials, Atomistilor 105 bis, P.O. Box MG-7, 077125 Bucharest-Magurele (Romania); Schinteie, G. [National Institute for Physics of Materials, Atomistilor 105 bis, P.O. Box MG-7, 077125 Bucharest-Magurele (Romania); Kuncser, V. [National Institute for Physics of Materials, Atomistilor 105 bis, P.O. Box MG-7, 077125 Bucharest-Magurele (Romania); Filoti, G. [National Institute for Physics of Materials, Atomistilor 105 bis, P.O. Box MG-7, 077125 Bucharest-Magurele (Romania)

2006-05-18

Magnesium-rich Mg-Ni-Fe intermetallic compounds have been prepared by two different routes: (a) short time ball milling of ribbons obtained by melt spinning; (b) long time ball milling of a mixture of MgH{sub 2}, Ni and Fe powders. The first type of samples displays an hydrogen desorption kinetics better than the second one. Pressure composition isotherm measurements exhibit for both type of samples two plateaux, the lower and wider corresponding to the MgH{sub 2} phase and the upper and shorter corresponding to the Mg{sub 2}NiH{sub 4} phase. The presence of the two types of hydrides is confirmed by X-ray diffraction analysis. Moessbauer spectroscopy shows that in melt spun and subsequently milled samples iron is mainly in a disordered structure and segregates after hydrogenation, while in directly milled powders remains mainly unalloyed. After multiple hydrogen absorption/desorption cycles the main part of iron is in metallic state in samples of both types, those of first type preserving better hydrogen desorption kinetics.

Dependence of hydrogen-induced lattice defects and hydrogen embrittlement of cold-drawn pearlitic steels on hydrogen trap state, temperature, strain rate and hydrogen content

International Nuclear Information System (INIS)

Doshida, Tomoki; Takai, Kenichi

2014-01-01

The effects of the hydrogen state, temperature, strain rate and hydrogen content on hydrogen embrittlement susceptibility and hydrogen-induced lattice defects were evaluated for cold-drawn pearlitic steel that absorbed hydrogen in two trapping states. Firstly, tensile tests were carried out under various conditions to evaluate hydrogen embrittlement susceptibility. The results showed that peak 2 hydrogen, desorbed at temperatures above 200 °C as determined by thermal desorption analysis (TDA), had no significant effect on hydrogen embrittlement susceptibility. In contrast, hydrogen embrittlement susceptibility increased in the presence of peak 1 hydrogen, desorbed from room temperature to 200 °C as determined by TDA, at temperatures higher than −30 °C, at lower strain rates and with higher hydrogen content. Next, the same effects on hydrogen-induced lattice defects were also evaluated by TDA using hydrogen as a probe. Peak 2 hydrogen showed no significant effect on either hydrogen-induced lattice defects or hydrogen embrittlement susceptibility. It was found that hydrogen-induced lattice defects formed under the conditions where hydrogen embrittlement susceptibility increased. This relationship indicates that hydrogen embrittlement susceptibility was higher under the conditions where the formation of hydrogen-induced lattice defects tended to be enhanced. Since hydrogen-induced lattice defects formed by the interaction between hydrogen and strain were annihilated by annealing at a temperature of 200 °C, they were presumably vacancies or vacancy clusters. One of the common atomic-level changes that occur in cold-drawn pearlitic steel showing higher hydrogen embrittlement susceptibility is the formation of vacancies and vacancy clusters

Electron Stimulated Molecular Desorption of a NEG St 707 at Room Temperature

CERN Document Server

Le Pimpec, F; Laurent, Jean Michel

2001-01-01

Electron stimulated molecular desorption (ESD) from a NEG St 707 (SAES GettersTM) sample after conditioning and after saturation with isotopic carbon monoxide2,13C18O, has been studied on a laboratory setup. Measurements were performed using an electron beam of 300 eV kinetic energy, with an average electron intensity of 1.6 1015 electrons s-1. The electrons were impinging on the 15 cm2 target surface at perpendicular incidence. It is found that the desorption yields h (molecules/electron) of the characteristic gases in an UHV system (hydrogen, methane, water, carbon monoxide, carbon dioxide) for a fully activated NEG as well as for a NEG fully saturated with 13C18O are lower than for OFHC copper baked at 120oC. A small fraction only of the gas which is required to saturate the getter surface can be re-desorbed and thus appears to be accessible to ESD.

Hydrogenation of ethylene over PrCo5Hsub(2.4)

International Nuclear Information System (INIS)

Soga, Kazuo; Imamura, Hayao; Ikeda, Sakuji

1977-01-01

To elucidate the chemical reactivity of the hydrogen atom absorbed in the hydrogenated alloy PrCo 5 H sub(n), the hydrogenation of ethylene was carried out over PrCo 5 Hsub(2.4) in the absence (A) or presence (B) of hydrogen in gas phase. PrCo 5 Hsub(2.4) was prepared from PrCo 5 according to an ordinary procedure with repeated heating and cooling in hydrogen atmosphere. The hydrogenation of ethylene was conducted at about -70 0 C in a conventional gas circulation system in a pressure range of ethylene 5 -- 16 cmHg and hydrogen 0 -- 38.0 cmHg. The hydrogenation rate was followed by gas chromatography. In the case of (A), the total gas pressure in the gas phase remained constant during the reaction. The hydrogenation rate was independent of the partial pressure of ethylene and it increased in proportion to the concentration of the absorbed hydrogen atom. The rate of desorption of the absorbed hydrogen atom from PrCo 5 Hsub(2.4) also measured under a reduced pressure. The desorption rate was approximately the same as the hydrogenation rate under the similar conditions. From these results, it was concluded that the migration process of the absorbed hydrogen atom from the bulk of the alloy to its surface was rate-determining. In the case of (B), on the other hand, the hydrogenation rate was accelerated by the gaseous hydrogen; the rate increased almost linearly with increasing pressure of hydrogen. The hydrogenation of ethylene was also conducted over PrCo 5 under the similar conditions. (auth.)

Study of hydrogenation of Sm2Fe17-yGay by means of X-ray diffraction

International Nuclear Information System (INIS)

Teresiak, A.; Uhlemann, M.; Kubis, M.; Gebel, B.; Mattern, N.; Mueller, K.-H.

2000-01-01

The hydrogenation process of Sm 2 Fe 17-y Ga y (y=0-2) was studied. X-ray investigations show a decreasing hydrogen solubility in the intermetallic alloy with increasing Ga-content from 4.0±0.3 atoms per formula unit for Sm 2 Fe 17 to 2.85±0.05 for Sm 2 Fe 15 Ga 2 . The larger Ga atoms reduce the size of the interstitial sites and thereby the maximum hydrogen concentration is decreased. The behaviour of the lattice parameters a and c with increasing Ga content points to a changed hydrogen distribution on the interstitial sites, becoming more statistical. In situ observations by means of high temperature X-ray diffraction show that the hydrogen absorption process is diffusion controlled. The hydrogen absorption starts at an annealing temperature of 120-140 C in all cases. The solubility of hydrogen decreases with increasing temperature. The hydrogen is completely desorbed above 350 C in all cases. The absorption/desorption process is reversible between room temperature and 400 C. Annealing at temperatures above 400 C leads to the decomposition of the Sm 2 Fe 17 phase, indicated by emerging of α-Fe. The formation of SmH x is established at 600 C. The decomposition temperature increases with increasing Ga-content. Up to 750 C, only Sm 2 Fe 17 is completely decomposed. (orig.)

Hydrogen loss and its improved retention in hydrogen plasma treated a-SiNx:H films: ERDA study with 100 MeV Ag7+ ions

Science.gov (United States)

Bommali, R. K.; Ghosh, S.; Khan, S. A.; Srivastava, P.

2018-05-01

Hydrogen loss from a-SiNx:H films under irradiation with 100 MeV Ag7+ ions using elastic recoil detection analysis (ERDA) experiment is reported. The results are explained under the basic assumptions of the molecular recombination model. The ERDA hydrogen concentration profiles are composed of two distinct hydrogen desorption processes, limited by rapid molecular diffusion in the initial stages of irradiation, and as the fluence progresses a slow process limited by diffusion of atomic hydrogen takes over. Which of the aforesaid processes dominates, is determined by the continuously evolving Hydrogen concentration within the films. The first process dominates when the H content is high, and as the H concentration falls below a certain threshold (Hcritical) the irradiation generated H radicals have to diffuse through larger distances before recombining to form H2, thereby significantly bringing down the hydrogen evolution rate. The ERDA measurements were also carried out for films treated with low temperature (300 °C) hydrogen plasma annealing (HPA). The HPA treated films show a clear increase in Hcritical value, thus indicating an improved diffusion of atomic hydrogen, resulting from healing of weak bonds and passivation of dangling bonds. Further, upon HPA films show a significantly higher H concentration relative to the as-deposited films, at advanced fluences. These results indicate the potential of HPA towards improved H retention in a-SiNx:H films. The study distinguishes clearly the presence of two diffusion processes in a-SiNx:H whose diffusion rates differ by an order of magnitude, with atomic hydrogen not being able to diffuse further beyond ∼ 1 nm from the point of its creation.

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)

Reversible hydrogen storage by NaAlH4 confined within a titanium-functionalized MOF-74(Mg) nanoreactor.

Science.gov (United States)

Stavila, Vitalie; Bhakta, Raghunandan K; Alam, Todd M; Majzoub, Eric H; Allendorf, Mark D

2012-11-27

We demonstrate that NaAlH(4) confined within the nanopores of a titanium-functionalized metal-organic framework (MOF) template MOF-74(Mg) can reversibly store hydrogen with minimal loss of capacity. Hydride-infiltrated samples were synthesized by melt infiltration, achieving loadings up to 21 wt %. MOF-74(Mg) possesses one-dimensional, 12 Å channels lined with Mg atoms having open coordination sites, which can serve as sites for Ti catalyst stabilization. MOF-74(Mg) is stable under repeated hydrogen desorption and hydride regeneration cycles, allowing it to serve as a "nanoreactor". Confining NaAlH(4) within these pores alters the decomposition pathway by eliminating the stable intermediate Na(3)AlH(6) phase observed during bulk decomposition and proceeding directly to NaH, Al, and H(2), in agreement with theory. The onset of hydrogen desorption for both Ti-doped and undoped nano-NaAlH(4)@MOF-74(Mg) is ∼50 °C, nearly 100 °C lower than bulk NaAlH(4). However, the presence of titanium is not necessary for this increase in desorption kinetics but enables rehydriding to be almost fully reversible. Isothermal kinetic studies indicate that the activation energy for H(2) desorption is reduced from 79.5 kJ mol(-1) in bulk Ti-doped NaAlH(4) to 57.4 kJ mol(-1) for nanoconfined NaAlH(4). The structural properties of nano-NaAlH(4)@MOF-74(Mg) were probed using (23)Na and (27)Al solid-state MAS NMR, which indicates that the hydride is not decomposed during infiltration and that Al is present as tetrahedral AlH(4)(-) anions prior to desorption and as Al metal after desorption. Because of the highly ordered MOF structure and monodisperse pore dimensions, our results allow key template features to be identified to ensure reversible, low-temperature hydrogen storage.

Surface Structures and Thermal Desorption Behaviors of Cyclopentanethiol Self-Assembled Monolayers on Au(111)

International Nuclear Information System (INIS)

Kang, Hun Gu; Kim, You Young; Park, Tae Sun; Noh, Jae Geun; Park, Joon B.; Ito, Eisuke; Hara, Masahiko

2011-01-01

The surface structures, adsorption conditions, and thermal desorption behaviors of cyclopentanethiol (CPT) self-assembled monolayers (SAMs) on Au(111) were investigated by scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and thermal desorption spectroscopy (TDS). STM imaging revealed that although the adsorption of CPT on Au(111) at room temperature generates disordered SAMs, CPT molecules at 50 .deg. C formed well-ordered SAMs with a (2√3 x √5)R41".deg. packing structure. XPS measurements showed that CPT SAMs at room temperature were formed via chemical reactions between the sulfur atoms and gold surfaces. TDS measurements showed two dominant TD peaks for the decomposed fragments (C_5H_9 "+, m/e = 69) generated via C-S bond cleavage and the parent molecular species (C_5H_9SH"+, m/e = 102) derived from a recombination of the chemisorbed thiolates and hydrogen atoms near 440 K. Interestingly, dimerization of sulfur atoms in n-alkanethiol SAMs usually occurs during thermal desorption and the same reaction did not happen for CPT SAMs, which may be due to the steric hindrance of cyclic rings of the CPT molecules. In this study, we demonstrated that the alicyclic ring of organic thiols strongly affected the surface structure and thermal desorption behavior of SAMs, thus providing a good method for controlling chemical and physical properties of organic thiol SAMs

Effect of oxygen on the hydrogenation properties of magnesium films

DEFF Research Database (Denmark)

Ostenfeld, Christopher Worsøe; Chorkendorff, Ib

2006-01-01

The effect of magnesium oxide on the magnesium and hydrogen desorption properties of magnesium films have been investigated. We find that by capping metallic magnesium films with oxide overlayers the apparent desorption energy of magnesium is increased from 146 kJ/mol to 314 kJ/mol. The results...... are discussed in light of previous investigations of ball-milled magnesium powders....

IN-SITU PROBING OF RADIATION-INDUCED PROCESSING OF ORGANICS IN ASTROPHYSICAL ICE ANALOGS—NOVEL LASER DESORPTION LASER IONIZATION TIME-OF-FLIGHT MASS SPECTROSCOPIC STUDIES

International Nuclear Information System (INIS)

Gudipati, Murthy S.; Yang Rui

2012-01-01

Understanding the evolution of organic molecules in ice grains in the interstellar medium (ISM) under cosmic rays, stellar radiation, and local electrons and ions is critical to our understanding of the connection between ISM and solar systems. Our study is aimed at reaching this goal of looking directly into radiation-induced processing in these ice grains. We developed a two-color laser-desorption laser-ionization time-of-flight mass spectroscopic method (2C-MALDI-TOF), similar to matrix-assisted laser desorption and ionization time-of-flight (MALDI-TOF) mass spectroscopy. Results presented here with polycyclic aromatic hydrocarbon (PAH) probe molecules embedded in water-ice at 5 K show for the first time that hydrogenation and oxygenation are the primary chemical reactions that occur in astrophysical ice analogs when subjected to Lyα radiation. We found that hydrogenation can occur over several unsaturated bonds and the product distribution corresponds to their stabilities. Multiple hydrogenation efficiency is found to be higher at higher temperatures (100 K) compared to 5 K—close to the interstellar ice temperatures. Hydroxylation is shown to have similar efficiencies at 5 K or 100 K, indicating that addition of O atoms or OH radicals to pre-ionized PAHs is a barrierless process. These studies—the first glimpses into interstellar ice chemistry through analog studies—show that once accreted onto ice grains PAHs lose their PAH spectroscopic signatures through radiation chemistry, which could be one of the reason for the lack of PAH detection in interstellar ice grains, particularly the outer regions of cold, dense clouds or the upper molecular layers of protoplanetary disks.

Effects of hydrogen adsorption on the properties of double wall BN and (BN){sub x}C{sub y} nanotubes

Energy Technology Data Exchange (ETDEWEB)

Freitas, A. [Departamento de Física, Universidade Federal da Paraíba, Caixa Postal 5008, 58059-900 João Pessoa, PB (Brazil); Azevedo, S., E-mail: sazevedo@fisica.ufpb.br [Departamento de Física, Universidade Federal da Paraíba, Caixa Postal 5008, 58059-900 João Pessoa, PB (Brazil); Kaschny, J.R. [Instituto Federal da Bahia – Campus Vitoria da Conquista, Avenida Amazonas 3150, 45030-220 Vitória da Conquista, BA (Brazil)

2016-01-15

In the present contribution, we apply first-principles calculations, based on the density functional theory, to study the effects of hydrogen adsorption on the structural and electronic properties of boron nitride and hybrid carbon–boron nitride double wall nanotubes. The results demonstrate that the hydrogen decoration induces significant structural deformation and an appreciable reduction in the gap energy. When the number of hydrogen atoms introduced on the outer wall is increased, desorption of hydrogen pairs are observed. The calculations indicate that each adsorbed hydrogen atom induces a structural deformation with an energetic cost of about 68 meV/atom. It is also found that the introduction of hydrogen atoms can be applied as an efficient tool for tuning the electronic properties of such structures. - Graphical abstract: Localized density of states of a hydrogenated double wall boron nitride nanotube. Some hydrogen pairs are desorbed, forming H{sub 2} molecules. - Highlights: • Hydrogenation induces structural deformation and reduction in the gap energy. • Each H atom induces a deformation with an energetic cost of about 68 meV/atom. • In some cases, desorption of H pairs from the outer wall is observed.

Comparative study of reversible hydrogen storage in alkali-doped fulleranes

Energy Technology Data Exchange (ETDEWEB)

Teprovich, Joseph A.; Knight, Douglas A.; Peters, Brent [Clean Energy Directorate – Savannah River National Laboratory, Aiken, SC 29801 (United States); Zidan, Ragaiy, E-mail: ragaiy.zidan@srnl.doe.gov [Clean Energy Directorate – Savannah River National Laboratory, Aiken, SC 29801 (United States)

2013-12-15

Highlights: ► Catalytic effect of alkali metals of fullerane formation. ► Hydrogen storage properties of alkali metal hydrides and fullerene composites. ► Novel intercalation of Na and Li in the fullerene lattice. ► Reversible phase transformation of C{sub 60} from fcc to bcc upon de/rehydrogenation. ► Potential to enable to the formation of other carbon based hydrogen storage systems. -- Abstract: In this report we describe and compare the hydrogen storage properties of lithium and sodium doped fullerenes prepared via a solvent-assisted mixing process. For the preparation of these samples either NaH or LiH was utilized as the alkali metal source to make material based on either a Na{sub 6}C{sub 60} or Li{sub 6}C{sub 60}. Both of the alkali-doped materials can reversibly absorb and desorb hydrogen at much milder conditions than the starting materials used to make them (decomposition temperatures of NaH > 420 °C, LiH > 670 °C, and fullerane > 500 °C). The hydrogen storage properties of the materials were compared by TGA, isothermal desorption, and XRD analysis. It was determined that the sodium-doped material can reversibly store 4.0 wt.% H{sub 2} while the lithium doped material can reversibly store 5.0 wt.% H{sub 2} through a chemisorption mechanism indicated by the formation and measurement of C–H bonds. XRD analysis of the material demonstrated that a reversible phase transition between fcc and bcc occurs depending on the temperature at which the hydrogenation is performed. In either system the active hydrogen storage material resembles a hydrogenated fullerene (fullerane)

Comparative study of reversible hydrogen storage in alkali-doped fulleranes

International Nuclear Information System (INIS)

Teprovich, Joseph A.; Knight, Douglas A.; Peters, Brent; Zidan, Ragaiy

2013-01-01

Highlights: ► Catalytic effect of alkali metals of fullerane formation. ► Hydrogen storage properties of alkali metal hydrides and fullerene composites. ► Novel intercalation of Na and Li in the fullerene lattice. ► Reversible phase transformation of C 60 from fcc to bcc upon de/rehydrogenation. ► Potential to enable to the formation of other carbon based hydrogen storage systems. -- Abstract: In this report we describe and compare the hydrogen storage properties of lithium and sodium doped fullerenes prepared via a solvent-assisted mixing process. For the preparation of these samples either NaH or LiH was utilized as the alkali metal source to make material based on either a Na 6 C 60 or Li 6 C 60 . Both of the alkali-doped materials can reversibly absorb and desorb hydrogen at much milder conditions than the starting materials used to make them (decomposition temperatures of NaH > 420 °C, LiH > 670 °C, and fullerane > 500 °C). The hydrogen storage properties of the materials were compared by TGA, isothermal desorption, and XRD analysis. It was determined that the sodium-doped material can reversibly store 4.0 wt.% H 2 while the lithium doped material can reversibly store 5.0 wt.% H 2 through a chemisorption mechanism indicated by the formation and measurement of C–H bonds. XRD analysis of the material demonstrated that a reversible phase transition between fcc and bcc occurs depending on the temperature at which the hydrogenation is performed. In either system the active hydrogen storage material resembles a hydrogenated fullerene (fullerane)

Phase Transformation and Hydrogen Storage Properties of an La7.0Mg75.5Ni17.5 Hydrogen Storage Alloy

Directory of Open Access Journals (Sweden)

Lin Hu

2017-10-01

Full Text Available X-ray diffraction showed that an La7.0Mg75.5Ni17.5 alloy prepared via inductive melting was composed of an La2Mg17 phase, an LaMg2Ni phase, and an Mg2Ni phase. After the first hydrogen absorption/desorption process, the phases of the alloy turned into an La–H phase, an Mg phase, and an Mg2Ni phase. The enthalpy and entropy derived from the van’t Hoff equation for hydriding were −42.30 kJ·mol−1 and −69.76 J·K−1·mol−1, respectively. The hydride formed in the absorption step was less stable than MgH2 (−74.50 kJ·mol−1 and −132.3 J·K−1·mol−1 and Mg2NiH4 (−64.50 kJ·mol−1 and −123.1 J·K−1·mol−1. Differential thermal analysis showed that the initial hydrogen desorption temperature of its hydride was 531 K. Compared to Mg and Mg2Ni, La7.0Mg75.5Ni17.5 is a promising hydrogen storage material that demonstrates fast adsorption/desorption kinetics as a result of the formation of an La–H compound and the synergetic effect of multiphase.

Research on hydrogen storage alloys and their uses

International Nuclear Information System (INIS)

Alcock, C.B.; Hewitt, J.S.; Khatamian, D.; Manchester, F.D.; McLean, A.; Ward, C.A.; Weatherly, G.C.

1984-01-01

A brief account is given of the work being done by members of the Centre on the development of hydrogen storage alloys having useful, reliable, and predictable, performance characteristics. Metals and alloys which have been studied, in one or more aspects, so far, include FeTi, and also FeTi with small added amounts of C, Mn, Al and Mischmetal. Experimental work on the FeTi family of alloys has been concentrated on surface structure and surface behaviour and the importance of these for determining successful activation for hydrogen absorption. As a part of development work on control devices responding to temperature changes through hydrogen desorption, experiments have been performed on hydrides of Nb, La-Ni-Al and Ca-Ni. Some theoretical modelling on kinetics of hydrogen absorption into metals has also been done

Hysteresis-free nanoplasmonic pd-au alloy hydrogen sensors

DEFF Research Database (Denmark)

Wadell, Carl; Nugroho, Ferry Anggoro Ardy; Lidström, Emil

2015-01-01

hydrogen sensors. By increasing the amount of Au in the alloy nanoparticles up to 25 atom %, we are able to suppress the hysteresis between hydrogen absorption and desorption, thereby increasing the sensor accuracy to below 5% throughout the investigated 1 mbar to 1 bar hydrogen pressure range. Furthermore......, we observe an 8-fold absolute sensitivity enhancement at low hydrogen pressures compared to sensors made of pure Pd, and an improved sensor response time to below one second within the 0-40 mbar pressure range, that is, below the flammability limit, by engineering the nanoparticle size....

Ice XVII as a Novel Material for Hydrogen Storage

Directory of Open Access Journals (Sweden)

Leonardo del Rosso

2017-02-01

Full Text Available Hydrogen storage is one of the most addressed issues in the green-economy field. The latest-discovered form of ice (XVII, obtained by application of an annealing treatment to a H 2 -filled ice sample in the C 0 -phase, could be inserted in the energy-storage context due to its surprising capacity of hydrogen physisorption, when exposed to even modest pressure (few mbars at temperature below 40 K, and desorption, when a thermal treatment is applied. In this work, we investigate quantitatively the adsorption properties of this simple material by means of spectroscopic and volumetric data, deriving its gravimetric and volumetric capacities as a function of the thermodynamic parameters, and calculating the usable capacity in isothermal conditions. The comparison of ice XVII with materials with a similar mechanism of hydrogen adsorption like metal-organic frameworks shows interesting performances of ice XVII in terms of hydrogen content, operating temperature and kinetics of adsorption-desorption. Any application of this material to realistic hydrogen tanks should take into account the thermodynamic limit of metastability of ice XVII, i.e., temperatures below about 130 K.

Nuclear stimulated desorption as a potential tool for surface study

International Nuclear Information System (INIS)

Nir, Dror.

1993-03-01

The described research work constitutes a base for an experimental method to be implemented in the study of solid surfaces. Nuclear Stimulated Desorption (NSD) is a new mode of experimentation in thin film and surface physics. It Is based on the interplay between nuclear phenomena (reactions and spontaneous decays), and atomic - scale induced effects on surfaces and very thin films. One may distinguish between two generically different relationships between the two. First, the dynamics of the nuclear reaction -primarily the recoil of the nucleus - may effect the position of the atom or molecule containing it. Second, the nuclear reaction (or decay) may serve as an analytical indicator of the whereabouts of the atom, or molecule, in question. In nuclear stimulated desorption, both thee aspects combine in an essential way. Namely, one employs a series of two consecutive decays (normally weak decays or isomeric transition) . The first of these decays causes the nucleus to desorb from a surface onto which it had been placed; the second serves to determine the position of the daughter and thereby the characteristics of the primary desorption . The essential feature in NSD is that it occurs almost exclusively from the outermost surface layer. This is because we choose to work with nuclei whose recoil energy Is of the same order of magnitude of the binding energy of the atom to the surface . Furthermore, the desorption probability and its angular (and temporal) characteristics, depend on the features (topology, morphology) of its immediate neighborhood. This work describes experiments which were designed to give relevant, phenomenological information about the outgoing flux of the radioactive daughters (for specifically chosen nuclear species) , and in particular the magnitude of the flux, its time dependence and its charged state. In addition. the basic phenomena itself is being distinguished from competing processes (thermal desorption, in particular). We will now

Hydriding properties of an Mg-Al-Ni-Nd hydrogen storage alloy

International Nuclear Information System (INIS)

Duarte, G.I.; Bustamante, L.A.C.; Miranda, P.E.V. de

2007-01-01

This work presents the development of an Mg-Al-Ni-Nd alloy for hydrogen storage purposes. The hydrogen storage properties of the alloy were analyzed using pressure-composition isotherms and hydrogen desorption kinetic curves at different temperatures. The characterization of the microstructures, before and after hydrogenation, was performed using X-ray diffraction, scanning electron microscopy and energy-dispersive spectrometry. Hydrogenation caused significant changes in the alloy microstructure. Two pressure plateaus were observed. The maximum hydrogen storage reversible capacity measured was 4 wt.% at 573 K

Catalytically Enhanced Hydrogen Sorption in Mg-MgH2 by Coupling Vanadium-Based Catalyst and Carbon Nanotubes

Directory of Open Access Journals (Sweden)

Atikah Kadri

2015-06-01

Full Text Available Mg (MgH2-based composites, using carbon nanotubes (CNTs and pre-synthesized vanadium-based complex (VCat as the catalysts, were prepared by high-energy ball milling technique. The synergistic effect of coupling CNTs and VCat in MgH2 was observed for an ultra-fast absorption rate of 6.50 wt. % of hydrogen per minute and 6.50 wt. % of hydrogen release in 10 min at 200 °C and 300 °C, respectively. The temperature programmed desorption (TPD results reveal that coupling VCat and CNTs reduces both peak and onset temperatures by more than 60 °C and 114 °C, respectively. In addition, the presence of both VCat and CNTs reduces the enthalpy and entropy of desorption of about 7 kJ/mol H2 and 11 J/mol H2·K, respectively, as compared to those of the commercial MgH2, which ascribe to the decrease of desorption temperature. From the study of the effect of CNTs milling time, it is shown that partially destroyed CNTs (shorter milling time are better to enhance the hydrogen sorption performance.

Experimental and theoretical investigation of Fe-catalysis phenomenon in hydrogen thermal desorption from hydrocarbon plasma-discharge films from T-10 tokama

Science.gov (United States)

Stankevich, Vladimir G.; Sukhanov, Leonid P.; Svechnikov, Nicolay Yu.; Lebedev, Alexey M.; Menshikov, Kostantin A.; Kolbasov, Boris N.

2017-10-01

Investigations of the effect of Fe impurities on D2 thermal desorption (TD) from homogeneous CDx films (x ˜ 0.5) formed in the D-plasma discharge of the T-10 tokamak were carried out. The experimental TD spectra of the films showed two groups of peaks at 650-850 K and 900-1000 K for two adsorption states. The main result of the iron catalysis effect consists in the shift of the high-temperature peak by -24 K and in the increase in the fraction of the weakly bonded adsorption states. To describe the effect of iron impurities on TD of hydrogen isotopes, a structural cluster model based on the interaction of the Fe+ ion with the 1,3-C6H8 molecule was proposed. The potential energy surfaces of chemical reactions with the H2 elimination were calculated using ab initio methods of quantum chemistry. It was established that the activation barrier of hydrogen TD is reduced by about 1 eV due to the interaction of the Fe+ ion with the π-subsystem of the 1,3-C6H8 molecule leading to a redistribution of the double bonds along the carbon system. Contribution to the topical issue "Plasma Sources and Plasma Processes (PSPP)"", edited by Luis Lemos Alves, Thierry Belmonte and Tiberiu Minea

Desorption of intrinsic cesium from smectite: inhibitive effects of clay particle organization on cesium desorption.

Science.gov (United States)

Fukushi, Keisuke; Sakai, Haruka; Itono, Taeko; Tamura, Akihiro; Arai, Shoji

2014-09-16

Fine clay particles have functioned as transport media for radiocesium in terrestrial environments after nuclear accidents. Because radiocesium is expected to be retained in clay minerals by a cation-exchange reaction, ascertaining trace cesium desorption behavior in response to changing solution conditions is crucially important. This study systematically investigated the desorption behavior of intrinsic Cs (13 nmol/g) in well-characterized Na-montmorillonite in electrolyte solutions (NaCl, KCl, CaCl2, and MgCl2) under widely differing cation concentrations (0.2 mM to 0.2 M). Batch desorption experiments demonstrated that Cs(+) desorption was inhibited significantly in the presence of the environmental relevant concentrations of Ca(2+) and Mg(2+) (>0.5 mM) and high concentrations of K(+). The order of ability for Cs desorption was Na(+) = K(+) > Ca(2+) = Mg(2+) at the highest cation concentration (0.2 M), which is opposite to the theoretical prediction based on the cation-exchange selectivity. Laser diffraction grain-size analyses revealed that the inhibition of Cs(+) desorption coincided with the increase of the clay tactoid size. Results suggest that radiocesium in the dispersed fine clay particles adheres on the solid phase when the organization of swelling clay particles occurs because of changes in solution conditions caused by both natural processes and artificial treatments.

Desorption, dissociation and orientation of oxygen admolecules on a reconstructed platinum(110)(1x2) surface studied by thermal desorption and near-edge X-ray-absorption fine-structure

International Nuclear Information System (INIS)

Ohno, Yuichi; Matsushima, Tatsuo; Tanaka, Shin-ichiro; Kamada, Masao

1993-01-01

The desorption, dissociation and orientation of oxygen admolecules on a reconstructed Pt(110)(1x2) were studied by means of TDS combined with isotope tracer, NEXAFS, and angle-resolved TDS. The admolecules below half a monolayer lie on the bottom of the trough, being oriented along it. The molecules adsorbed additionally are lying on declining terraces. The desorption flux of the former species shows a simple cosine distribution, suggesting that the molecule is not localized on the bottom in the desorption event. (author)

Influence of cold deformation and annealing on hydrogen embrittlement of cold hardening bainitic steel for high strength bolts

Energy Technology Data Exchange (ETDEWEB)

Hui, Weijun, E-mail: wjhui@bjtu.edu.cn [School of Mechanical, Electronic and Control Engineering, Beijing Jiaotong University, Beijing 100044 (China); Zhang, Yongjian; Zhao, Xiaoli; Shao, Chengwei [School of Mechanical, Electronic and Control Engineering, Beijing Jiaotong University, Beijing 100044 (China); Wang, Kaizhong; Sun, Wei; Yu, Tongren [Technical Center, Maanshan Iron & Steel Co., Ltd., Maanshan 243002, Anhui (China)

2016-04-26

The influence of cold drawing and annealing on hydrogen embrittlement (HE) of newly developed cold hardening bainitic steel was investigated by using slow strain rate testing (SSRT) and thermal desorption spectrometry (TDS), for ensuring safety performance of 10.9 class high strength bolts made of this kind of steel against HE under service environments. Hydrogen was introduced into the specimen by electrochemical charging. TDS analysis shows that the hydrogen-charged cold drawn specimen exhibits an additional low-temperature hydrogen desorption peak besides the original high-temperature desorption peak of the as-rolled specimen, causing remarkable increase of absorbed hydrogen content. It is found that cold drawing significantly enhances the susceptibility to HE, which is mainly attributed to remarkable increase of diffusible hydrogen absorption, the occurrence of strain-induced martensite as well as the increase of strength level. Annealing after cold deformation is an effective way to improve HE resistance and this improvement strongly depends on annealing temperature, i.e. HE susceptibility decreases slightly with increasing annealing temperature up to 200 °C and then decreases significantly with further increasing annealing temperature. This phenomenon is explained by the release of hydrogen, the recovery of cold worked microstructure and the decrease of strength with increasing annealing temperature.

Hydrogen storage development

Energy Technology Data Exchange (ETDEWEB)

Thomas, G.J.; Guthrie, S.E. [Sandia National Labs., Livermore, CA (United States)

1998-08-01

A summary of the hydride development efforts for the current program year (FY98) are presented here. The Mg-Al-Zn alloy system was studied at low Zn levels (2--4 wt%) and midrange Al contents (40--60 wt%). Higher plateau pressures were found with Al and Zn alloying in Mg and, furthermore, it was found that the hydrogen desorption kinetics were significantly improved with small additions of Zn. Results are also shown here for a detailed study of the low temperature properties of Mg{sub 2}NiH{sub 4}, and a comparison made between conventional melt cast alloy and the vapor process material.

Experimental Study on Methane Desorption from Lumpy Coal under the Action of Hydraulic and Thermal

Directory of Open Access Journals (Sweden)

Dong Zhao

2018-01-01

Full Text Available Moisture and thermal are the key factors for influencing methane desorption during CBM exploitation. Using high-pressure water injection technology into coalbed, new fractures and pathways are formed to transport methane. A phenomenon of water-inhibiting gas flow existed. This study is focused on various water pressures impacted on gas-adsorbed coal samples, and then the desorption capacity could be revealed under different conditions. And the results are shown that methane desorption capacity was decreased with the increase in water pressure at room temperature and the downtrend would be steady until water pressure was large enough. Heating could promote gas desorption capacity effectively, with the increasing of water injection pressures, and the promotion of thermal on desorption became more obvious. These results are expected to provide a clearer understanding of theoretical efficiency of heat water or steam injection into coalbed, and they can provide some theoretical and experimental guidance on CBM production and methane control.

Hydrogenation of Phenylacetylene to Styrene on Pre-C_xH_y- and C-Covered Cu(111) Single Crystal Catalysts

International Nuclear Information System (INIS)

Sohn, Young Ku; Wei, Wei; White, John M.

2011-01-01

Thermal hydrogenation of phenylacetylene (PA, C_8H_6) to styrene (C_8H_8) on pre-C_xH_y- and C-covered Cu(111) single crystal substrates has been studied using temperature-programmed desorption (TPD) mass spectrometry. Chemisorbed PA with an acetylene group has been proved to be associated with hydrogen of pre-adsorbed C_xH_y to form styrene (104 amu) on Cu surface. For the parent (PA) mass (102 amu) TPD profile, the TPD peaks at 360 K and 410 K are assigned to chemisorbed vertically aligned PA and flat-lying cross-bridged PA, respectively (J. Phys. Chem. C 2007, 111, 5101). The relative I_3_6_0_K/I_4_1_0_K TPD ratio dramatically increases with increasing pre-adsorbed C_xH_y before dosing PA, while the ratio does not increase for pre-C-covered surface. For PA on pre-C_xH_y-covered Cu(111) surface, styrene desorption is enhanced relative to the parent PA desorption, while styrene formation is dramatically quenched on pre-C-covered (lack of adsorbed hydrogen nearby) surface. It appears that only cross-bridged PA associates with adsorbed hydrogen to form styrene that promptly desorbs at 410 K, while vertically aligned PA is less likely to participate in forming styrene

Activation of erbium films for hydrogen storage

International Nuclear Information System (INIS)

Brumbach, Michael T.; Ohlhausen, James A.; Zavadil, Kevin R.; Snow, Clark S.; Woicik, Joseph C.

2011-01-01

Hydriding of metals can be routinely performed at high temperature in a rich hydrogen atmosphere. Prior to the hydrogen loading process, a thermal activation procedure is required to promote facile hydrogen sorption into the metal. Despite the wide spread utilization of this activation procedure, little is known about the chemical and electronic changes that occur during activation and how this thermal pretreatment leads to increased rates of hydrogen uptake. This study utilized variable kinetic energy X-ray photoelectron spectroscopy to interrogate the changes during in situ thermal annealing of erbium films, with results confirmed by time-of-flight secondary ion mass spectrometry and low energy ion scattering. Activation can be identified by a large increase in photoemission between the valence band edge and the Fermi level and appears to occur over a two stage process. The first stage involves desorption of contaminants and recrystallization of the oxide, initially impeding hydrogen loading. Further heating overcomes the first stage and leads to degradation of the passive surface oxide leading to a bulk film more accessible for hydrogen loading.

Effect Of The Desorption-Recombination Temperature On The Microstructure And Magnetic Properties Of HDDR Processed Nd-Fe-B Powders

Directory of Open Access Journals (Sweden)

Lee J.-G.

2015-06-01

Full Text Available The effect of the desorption-recombination temperature on the microstructure and magnetic properties of hydrogenation-disproportionation-desorption-recombination (HDDR processed Nd-Fe-B powders was studied. The NdxB6.4Ga0.3Nb0.2Febal (x=12.5-13.5, at.% casting alloys were pulverized after homogenizing annealing, and then subjected to HDDR treatment. During the HDDR process, desorption-recombination (DR reaction was induced at two different temperature, 810°C and 820°C. The higher Nd content resulted in enhanced coercivity of the HDDR powder, and which was attributed to the thicker and more uniform Nd-rich phase along grain boundaries. But this uniform Nd-rich phase induced faster grain growth. The remanence of the powder DR-treated at 820°C is higher than that DR-treated at 810°C. In addition, it was also confirmed that higher DR temperature is much more effective to improve squareness.

Site-specific binding of a water molecule to the sulfa drugs sulfamethoxazole and sulfisoxazole: a laser-desorption isomer-specific UV and IR study.

Science.gov (United States)

Uhlemann, Thomas; Seidel, Sebastian; Müller, Christian W

2018-03-07

To determine the preferred water molecule binding sites of the polybasic sulfa drugs sulfamethoxazole (SMX) and sulfisoxazole (SIX), we have studied their monomers and monohydrated complexes through laser-desorption conformer-specific UV and IR spectroscopy. Both the SMX and SIX monomer adopt a single conformer in the molecular beam. On the basis of their conformer-specific IR spectra in the NH stretch region, these conformers were assigned to the SMX and SIX global minimum structures, both exhibiting a staggered sulfonamide group and an intramolecular C-HO[double bond, length as m-dash]S hydrogen bond. The SMX-H 2 O and SIX-H 2 O complexes each adopt a single isomer in the molecular beam. Their isomeric structures were determined based on their isomer-specific IR spectra in the NH/OH stretch region. Quantum Theory of Atoms in Molecules analysis of the calculated electron densities revealed that in the SMX-H 2 O complex the water molecule donates an O-HN hydrogen bond to the heterocycle nitrogen atom and accepts an N-HO hydrogen bond from the sulfonamide NH group. In the SIX-H 2 O complex, however, the water molecule does not bind to the heterocycle but instead donates an O-HO[double bond, length as m-dash]S hydrogen bond to the sulfonamide group and accepts an N-HO hydrogen bond from the sulfonamide NH group. Both water complexes are additionally stabilized by a C ph -HOH 2 hydrogen bond. Interacting Quantum Atoms analysis suggests that all intermolecular hydrogen bonds are dominated by the short-range exchange-correlation contribution.

Study of the mechanisms of heavy-ion induced desorption on accelerator-relevant materials

International Nuclear Information System (INIS)

Bender, Markus

2008-01-01

The ion beam loss induced desorption is a performance limitation for low charge state heavy ion accelerators. If charge exchanged projectile ions get lost onto the beam pipe, desorption of gas is stimulated resulting in a pressure increase inside of the synchrotron and thus, a dramatically reduction of the beam life time. To minimize the amount of desorbed gas an experimental program has been started to measure the desorption yields (released gas molecules per incident ion) of various materials and different projectile ions. The present work is a contribution to the understanding of the physical processes behind the ion beam loss induced desorption. The yield measurements by the pressure rise method have been combined for the rst time with in situ ion beam analysis technologies such as ERDA and RBS. With this unique method the desorption behavior of a sample can be correlated to its surface and bulk properties. The performed experiments with 1,4 MeV/u Xenon-Ions show that the ion induced desorption is mainly a surface effect. Sputtered oxide layers or impurities do not contribute to the desorbed gas significantly. Nevertheless bulk properties play an important role in the desorption strength. Pure metallic samples desorb less gas than isolating materials under swift heavy ion irradiation. From the experimental results it was possible to estimate the desorption yields of various materials under ion bombardment by means of an extended inelastic thermal-spike-model. The extension is the combination of the thermal-spike's temperature map with thermal desorption. Within this model the ion induced desorption can be regarded as the release of adsorbates from a transient overheated spot on the samples surface around the ion impact. Finally a copper substrate with a gold coated surface was developed and proposed as a suitable material for a beam loss collimator with minimum desorption to ensure the performance of GSI's SIS18 in high current beam operation. (orig.)

Nanocrystalline electrodeposited Ni-Mo-C cathodes for hydrogen production

International Nuclear Information System (INIS)

Hashimoto, K.; Sasaki, T.; Meguro, S.; Asami, K.

2004-01-01

Tailoring active nickel alloy cathodes for hydrogen evolution in a hot concentrated hydroxide solution was attempted by electrodeposition. The carbon addition to Ni-Mo alloys decreased the nanocrystalline grain size and remarkably enhanced the activity for hydrogen evolution, changing the mechanism of hydrogen evolution. The Tafel slope of hydrogen evolution was about 35 mV per decade. This suggested that the rate-determining step is desorption of adsorbed hydrogen atoms by recombination. As was distinct from the binary Ni-Mo alloys, after open circuit immersion, the overpotential, that is, the activity of nanocrystalline Ni-Mo-C alloys for hydrogen evolution was not changed, indicating the sufficient durability in the practical electrolysis

Study of peculiarities of hydrogen isotopes mixture permeation through low activated steel F82H

International Nuclear Information System (INIS)

Kenzhin, Ye.A.; Tazhibayeva, I.L; Kulsartov, T.V.; Shestakov, V.P.; Chikhray, Ye.V.; Afanasev, S.E.; Zheldak, Yu.L.

2003-01-01

Full text: The problem of diffusion tritium leakage through blanket materials of future fusion device makes some constructive difficulties concerned with protection of personnel and environment and also with losses of tritium, which is planned to be used in the same device. One of the little-studied problems in the tritium leakage process in Fusion Power Plant is that in fact tritium will penetrate through materials while other hydrogen isotopes are present. These are deuterium and hydrogen which always are present in metals. Therefore, for evaluation of tritium leakage in future Fusion Power Plant under such conditions it is necessary to have experimental data about permeation of these hydrogen isotopes through the structure materials.One of proposed structure materials of fusion reactor blanket is low activated steel F82H. The experiment results on evaluation of .hydrogen, deuterium and its mixture interaction parameters with steel F82H are shown in this work. The tests were carried out within temperature range 273-973 K under inlet hydrogen pressure of 100-2000 Pa. Diffusivity, deuterium and hydrogen permeation constants for low activated steel F82H was determined from experiment results. Those experimental results were used for created phenomenology model which describes hydrogen isotope penetration through tube sample from hydrogen isotopes mixture. That model was used so determining the ratios of desorption rates (D-D, D-H, H-H) on outlet side of sample. Using of so obtained results, we can correctly evaluate, the titanium leakage from blanket of fusion machine which will be constructed using low activated steel F82H

Interaction of hydrogen and its isotopes with irradiated beryllium

International Nuclear Information System (INIS)

Tazhibaeva, I.L.; Shestakov, V.P.; Klepikov, A.Kh.; Pomanenko, O.G.; Chikhraj, E.V.; Kenzhin, E.A.; Zverev, V.V.; Kolbanenkov, A.N.

2000-01-01

In the article the results of experiments on hydrogen and its isotopes accumulation and gas-release from irradiated beryllium are presented. The irradiation was conducted at different media and temperatures in the RA and IVG.1M reactors. The measurements were carried out by thermal desorption method. Hydrogen release from beryllium samples saturated at different conditions were calculated. Dependence of hydrogen confinement character in beryllium from grain orientation in the sample, temperature and irradiation rate was revealed

Surface Structures and Thermal Desorption Behaviors of Cyclopentanethiol Self-Assembled Monolayers on Au(111)

Energy Technology Data Exchange (ETDEWEB)

Kang, Hun Gu; Kim, You Young; Park, Tae Sun; Noh, Jae Geun [Hanyang University, Seoul (Korea, Republic of); Park, Joon B. [Chonbuk National University, Jeonju (Korea, Republic of); Ito, Eisuke; Hara, Masahiko [RIKEN-HYU Collaboration Center, Saitama (Japan)

2011-04-15

The surface structures, adsorption conditions, and thermal desorption behaviors of cyclopentanethiol (CPT) self-assembled monolayers (SAMs) on Au(111) were investigated by scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and thermal desorption spectroscopy (TDS). STM imaging revealed that although the adsorption of CPT on Au(111) at room temperature generates disordered SAMs, CPT molecules at 50 .deg. C formed well-ordered SAMs with a (2√3 x √5)R41{sup .}deg. packing structure. XPS measurements showed that CPT SAMs at room temperature were formed via chemical reactions between the sulfur atoms and gold surfaces. TDS measurements showed two dominant TD peaks for the decomposed fragments (C{sub 5}H{sub 9} {sup +}, m/e = 69) generated via C-S bond cleavage and the parent molecular species (C{sub 5}H{sub 9}SH{sup +}, m/e = 102) derived from a recombination of the chemisorbed thiolates and hydrogen atoms near 440 K. Interestingly, dimerization of sulfur atoms in n-alkanethiol SAMs usually occurs during thermal desorption and the same reaction did not happen for CPT SAMs, which may be due to the steric hindrance of cyclic rings of the CPT molecules. In this study, we demonstrated that the alicyclic ring of organic thiols strongly affected the surface structure and thermal desorption behavior of SAMs, thus providing a good method for controlling chemical and physical properties of organic thiol SAMs.

Hydrogen isotope behavior in the first wall of JT-60U after deuterium plasma operation

International Nuclear Information System (INIS)

Oya, Y.; Tanabe, T.; Oyaidzu, M.; Shibahara, T.; Sugiyama, K.; Yoshikawa, A.; Onishi, Y.; Hirohata, Y.; Ishimoto, Y.; Yagyu, J.; Arai, T.; Masaki, K.; Okuno, K.; Miya, N.; Tanaka, S.

2007-01-01

Retention of hydrogen isotopes in the carbon (isotropic graphite) first wall tiles of JT-60U was studied by secondary ion mass spectrometry and thermal desorption spectroscopy. The surface morphology and erosion/deposition profiles of the tiles were characterized using scanning electron microscope and X-ray photoelectron spectroscopy. The upper area is mainly eroded, while the bottom area of the inboard wall is dominated by deposition. In contrast to the divertor area, hydrogen isotope retention in the eroded wall area was generally larger than that in the deposition dominated area. Measured near surface concentrations of hydrogen isotopes in the wall tiles, as well as the D/H ratios, were a little higher than those in the divertor area. This indicates direct implantation of high-energy D from NBI into the first wall. The lower temperature of the first wall relative to the divertor tiles would reduce desorption and/or replacement of implanted D by subsequent D or H impingement

Structure modification of Mg-Nb films under hydrogen sorption cycles

Energy Technology Data Exchange (ETDEWEB)

Mengucci, P., E-mail: p.mengucci@univpm.it [Dipartimento di Fisica e Ingegneria dei Materiali e del Territorio, Universita Politecnica delle Marche, Via Brecce Bianche, I-60131 Ancona (Italy); Barucca, G.; Majni, G. [Dipartimento di Fisica e Ingegneria dei Materiali e del Territorio, Universita Politecnica delle Marche, Via Brecce Bianche, I-60131 Ancona (Italy); Bazzanella, N.; Checchetto, R.; Miotello, A. [Dipartimento di Fisica, Universita di Trento, Via Sommarive, I-38123 Povo (Italy)

2011-09-15

Research highlights: > Influence of Nb additions on the hydrogen kinetics of Mg layers. > Structure modification of the Mg matrix during hydrogen cycling. > Lattice strains induced by Nb tends to decrease during hydrogen cycling. > Nb nanoparticles form during hydrogen cycling. > Nb enhances the porous structure of the Mg layer formed during hydrogen cycling. - Abstract: In the present work we focus our attention on the structural modifications induced by repeated absorption/desorption cycles on Mg-Nb layers. Samples consisting of a 30 {mu}m thick pure Mg or Mg-5 at.% Nb doped films, coated with a 20 nm thick Pd layer were submitted to repeated H{sub 2} sorption cycles in a volumetric apparatus. Isothermal desorption analysis at 350 deg. C was performed to evaluate the amount of absorbed hydrogen. X-ray diffraction (XRD), energy dispersive spectroscopy (EDS) and electron microscopy techniques (SEM and TEM) were used for the structural characterisation of the samples. Analyses show a deep modification of the material upon cycling. The presence of Nb enhances the structural modifications and induces an initial lattice contraction of the Mg matrix that tends to decrease on cycling via the formation of Nb nanoparticles (with average size of {approx}10 nm). SEM and TEM observations performed in cross section evidenced the formation of a porous structure.

Acidity, oxophilicity and hydrogen sticking probability of supported metal catalysts for hydrodeoxygenation process

Science.gov (United States)

Lup, A. Ng K.; Abnisa, F.; Daud, W. M. A. W.; Aroua, M. K.

2018-03-01

Hydrodeoxygenation is an oxygen removal process that occurs in the presence of hydrogen and catalysts. This study has shown the importance of acidity, oxophilicity and hydrogen sticking probability of supported metal catalysts in having high hydrodeoxygenation activity and selectivity. These properties are required to ensure the catalyst has high affinity for C-O or C=O bonds and the capability for the adsorption and activation of H2 and O-containing compounds. A theoretical framework of temperature programmed desorption technique was also discussed for the quantitative understanding of these properties. By using NH3-TPD, the nature and abundance of acid sites of catalyst can be determined. By using H2-TPD, the nature and abundance of metallic sites can also be determined. The desorption activation energy could also be determined based on the Redhead analysis of TPD spectra with different heating rates.

Hydrogenation-disproportionation-desorption-recombination in Sm{sub 2}Fe{sub 16}M (M=Al, Ga and Si) and magnetic properties of their carburized powders

Energy Technology Data Exchange (ETDEWEB)

Kubis, M.; Rave, W.; Cao, L.; Gebel, B.; Mueller, K.-H.; Schultz, L. [Institut fuer Festkoerper- und Werkstofforschung Dresden e.V. (Germany)

1998-11-20

The application of the hydrogenation-disproportionation-desorption-recombination (HDDR) process in Sm{sub 2}Fe{sub 16}M (M=Al,Ga and Si) was investigated. The hydrogen absorption behaviour was studied by temperature-pressure analysis (TPA). In the temperature range between 500 and 800 C, Sm{sub 2}Fe{sub 16}M samples with M=Ga and Si show a weaker hydrogen absorption than Sm{sub 2}Fe{sub 16}Al. This was confirmed by X-ray diffraction which showed a complete disproportionation of Sm{sub 2}Fe{sub 16}Al into SmH{sub z} (1.9hydrogen for M=Ga and Si. The magnetization processes of carburized HDDR powders were studied by VSM measurements and Kerr microscopy. The demagnetization curve of our HDDR processed Sm{sub 2}Fe{sub 16}AlC{sub y} is well shaped, whereas those of Sm{sub 2}Fe{sub 16}GaC{sub y} and Sm{sub 2}Fe{sub 16}SiC{sub y} show a large decrease of the polarization at low fields. The favourable behaviour of Sm{sub 2}Fe{sub 16}AlC{sub y} is due to a homogeneous submicron grain structure. In Sm{sub 2}Fe{sub 16}GaC{sub y} and Sm{sub 2}Fe{sub 16}SiC{sub y} samples, an additional, magnetically soft phase with larger domains was observed which causes the low coercivity. As a consequence, HDDR was only favourable for the preparation of Sm{sub 2}Fe{sub 16}MC{sub y} hard magnets with M=Al but not for M=Ga and Si. Optimization of the HDDR process in Sm{sub 2}Fe{sub 16}Al and subsequent nitrogenation or carburization led to coercivities of {mu}{sub 0j}H{sub c}=2.9 and 2.5 T, respectively. (orig.) 11 refs.

Generation of nanopores during desorption of NH3 from Mg(NH3)6Cl2

DEFF Research Database (Denmark)

Hummelshøj, Jens Strabo; Sørensen, Rasmus Zink; Kostova, M.Y.

2006-01-01

It is shown that nanopores are formed during desorption of NH3 from Mg(NH3)6Cl2, which has been proposed as a hydrogen storage material. The system of nanopores facilitates the transport of desorbed ammonia away from the interior of large volumes of compacted storage material. DFT calculations sh...

Decarbonylation and hydrogenation reactions of allyl alcohol and acrolein on Pd(110)

Science.gov (United States)

Shekhar, Ratna; Barteau, Mark A.

1994-11-01

Allyl alcohol and acrolein reactions on the Pd(110) surface were investigated using temperature programmed desorption. For both unsaturated oxygenates, three coverage-dependent reaction pathways were observed. At low coverages, allyl alcohol decomposed completely to CO, hydrogen and carbonaceous species on the surface. For θ > 0.15 monolayer, ethylene (and small amounts of ethane) desorbed at ca. 295 K. Near saturation coverages, desorption of propanal was detected at ca. 235 K. The parent molecule, allyl alcohol, desorbed only after exposures sufficient to saturate these channels. Acrolein decomposition spectra were similar to those observed for allyl alcohol decomposition on the clean surface. Additional experiments with allyl alcohol on hydrogen- and deuterium-precoveredPd(110) surfaces demonstrated increased hydrogenation of the C 2-hydrocarbon products along with hydrogenation of allyl alcohol to 1-propanol. However, in contrast to previous results for allyl alcohol on the Pd(111) surface, there was no evidence for C-O scission reactions of any C 3 oxygenate on Pd(110).

Modeling Adsorption-Desorption Processes at the Intermolecular Interactions Level

Science.gov (United States)

Varfolomeeva, Vera V.; Terentev, Alexey V.

2018-01-01

Modeling of the surface adsorption and desorption processes, as well as the diffusion, are of considerable interest for the physical phenomenon under study in ground tests conditions. When imitating physical processes and phenomena, it is important to choose the correct parameters to describe the adsorption of gases and the formation of films on the structural materials surface. In the present research the adsorption-desorption processes on the gas-solid interface are modeled with allowance for diffusion. Approaches are proposed to describe the adsorbate distribution on the solid body surface at the intermolecular interactions level. The potentials of the intermolecular interaction of water-water, water-methane and methane-methane were used to adequately modeling the real physical and chemical processes. The energies calculated by the B3LYP/aug-cc-pVDZ method. Computational algorithms for determining the average molecule area in a dense monolayer, are considered here. Differences in modeling approaches are also given: that of the proposed in this work and the previously approved probabilistic cellular automaton (PCA) method. It has been shown that the main difference is due to certain limitations of the PCA method. The importance of accounting the intermolecular interactions via hydrogen bonding has been indicated. Further development of the adsorption-desorption processes modeling will allow to find the conditions for of surface processes regulation by means of quantity adsorbed molecules control. The proposed approach to representing the molecular system significantly shortens the calculation time in comparison with the use of atom-atom potentials. In the future, this will allow to modeling the multilayer adsorption at a reasonable computational cost.

Study on glass-forming ability and hydrogen storage properties of amorphous Mg60Ni30La10−xCox (x = 0, 4) alloys

International Nuclear Information System (INIS)

Lv, Peng; Wang, Zhong-min; Zhang, Huai-gang; Balogun, Muhammad-Sadeeq; Ji, Zi-jun; Deng, Jian-qiu; Zhou, Huai-ying

2013-01-01

Mg 60 Ni 30 La 10−x Co x (x = 0, 4) amorphous alloys were prepared by rapid solidification, using a melt-spinning technique. X-ray diffraction and differential scanning calorimetry analysis were employed to measure their microstructure, thermal stability and glass-forming ability, and hydrogen storage properties were studied by means of PCTPro2000. Based on differential scanning calorimetry results, their glass-forming ability and thermal stability were investigated by Kissinger method, Lasocka curves and atomic cluster model, respectively. The results indicate that glass-forming ability, thermal properties and hydrogen storage properties in the Mg-rich corner of Mg–Ni–La–Co system alloys were enhanced by Co substitution for La. It can be found that the smaller activation energy (ΔΕ) and frequency factor (υ 0 ), the bigger value of B (glass transition point in Lasocka curves), and higher glass-forming ability of Mg–Ni–La–Co alloys would be followed. In addition, atomic structure parameter (λ), deduced from atomic cluster model is valuable in the design of Mg–Ni–La–Co system alloys with good glass-forming ability. With an increase of Co content from 0 to 4, the hydrogen desorption capacity within 4000 s rises from 2.25 to 2.85 wt.% at 573 K. - Highlights: • Amorphous Mg 60 Ni 30 La 10−x Co x (x = 0 and 4) alloys were produced by melt spinning. • The GFA and hydrogen storage properties were enhanced by Co substitution for La. • With an increase of Co content, the hydrogen desorption capacity rises at 573 K

Alloying effect on the electronic structures of hydrogen storage compounds

Energy Technology Data Exchange (ETDEWEB)

Yukawa, H.; Moringa, M.; Takahashi, Y. [Nagoya Univ. (Japan). Dept. of Mater. Sci. and Eng.

1997-05-20

The electronic structures of hydrogenated LaNi{sub 5} containing various 3d transition elements were investigated by the DV-X{alpha} molecular orbital method. The hydrogen atom was found to form a strong chemical bond with the Ni rather than the La atoms. The alloying modified the chemical bond strengths between atoms in a small metal octahedron containing a hydrogen atom at the center, resulting in the change in the hydrogen absorption and desorption characteristics of LaNi{sub 5} with alloying. (orig.) 7 refs.

Probe measurements of hydrogen fluxes during discharge cleaning in JFT-2M

International Nuclear Information System (INIS)

Matsuzaki, Y.

1989-01-01

Thermal desorption spectroscopy (TDS) has been applied during discharge cleaning in the JFT-2M tokamak to measure hydrogen fluxes. The TDS carbon sample, thickness 0.13 mm, was heated to 1000 0 C by direct current and the temperature distribution of the sample surface measured by infrared thermography. The probe was exposed to three types of plasma: Taylor-type discharge cleaning (TDC), ECR discharge cleaning (ECR-DC), and glow discharge cleaning (GDC). The TDS spectra show peak desorption at around 800 0 C. The hydrogen flux, obtained by integration of the TDS spectrum, decreases exponentially in the radial direction with decay length 7.4 cm and 5.8 cm in TDC and ECR-DC, respectively. The relation between hydrogen fluxes and water vapour production was investigated. In TDC, the amount of water vapour depends more strongly on the electron temperature of the plasma than on the hydrogen flux. In ECR-DC, the production of water vapour increases approximately linearly with the hydrogen-flux. In GDC, hydrogen fluxes were measured by TDS but no water vapour could be detected in the residual gases during the discharge. (orig.)

Electron stimulated desorption study of oxygen adsorption on tungsten

International Nuclear Information System (INIS)

Prince, R.H.; Floyd, G.R.

1978-01-01

The adsorption of oxygen on a polycrystalline tungsten surface at approximately 800 K has been studied by means of electron stimulated desorption (ESD). Although precision gas dosing was not employed, the initial sticking probability for dissociative adsorption appears to be essentially unity, while the variation with coverage suggests that a high degree of order exists and that precursor state kinetics are significant. A most noticeable and reproducible discontinuity in ESD parameters occurs at a fractional coverage theta approximately 0.8 (exposure approximately 1.4 X 10 15 molecules/cm 2 incident) which is interpreted as an order-disorder transition within a single (β 1 ) chemisorption state, and results in an increase in the ionic desorption cross-section by a factor of approximately 1.26. A discussion of the adsorption kinetics and the disorder transition is given in terms of current models of dissociative adsoption which include the effects of nearest neighbour lateral interactions. (Auth.)

Reprint of: Effects of cold deformation, electron irradiation and extrusion on deuterium desorption behavior in Zr-1%Nb alloy

Science.gov (United States)

Morozov, O.; Mats, O.; Mats, V.; Zhurba, V.; Khaimovich, P.

2018-01-01

The present article introduces the data of analysis of ranges of ion-implanted deuterium desorption from Zr-1% Nb alloy. The samples studied underwent plastic deformation, low temperature extrusion and electron irradiation. Plastic rolling of the samples at temperature ∼300 K resulted in plastic deformation with the degree of ε = 3.9 and the formation of nanostructural state with the average grain size of d = 61 nm. The high degree of defectiveness is shown in thermodesorption spectrum as an additional area of the deuterium desorption in the temperature ranges 650-850 K. The further processing of the sample (that had undergone plastic deformation by plastic rolling) with electron irradiation resulted in the reduction of the average grain size (58 nm) and an increase in borders concentration. As a result the amount of deuterium desorpted increased in the temperature ranges 650-900 K. In case of Zr-1% Nb samples deformed by extrusion the extension of desorption area is observed towards the temperature reduction down to 420 K. The formation of the phase state of deuterium solid solution in zirconium was not observed. The structural state behavior is a control factor in the process of deuterium thermodesorption spectrum structure formation with a fixed implanted deuterium dose (hydrogen diagnostics). It appears as additional temperature ranges of deuterium desorption depending on the type, character and defect content.

Sorption and desorption studies of chromium(VI) from nonviable cyanobacterium Nostoc muscorum biomass

Energy Technology Data Exchange (ETDEWEB)

Gupta, V.K. [Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee 247667 (India)], E-mail: vinodfcy@iitr.ernet.in; Rastogi, A. [Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee 247667 (India)

2008-06-15

This communication presents results pertaining to the sorptive and desorptive studies carried out on chromium(VI) removal onto nonviable freshwater cyanobacterium (Nostoc muscorum) biomass. Influence of varying the conditions for removal of chromium(VI), such as the pH of aqueous solution, the dosage of biosorbent, the contact time with the biosorbent, the temperature for the removal of chromium, the effect of light metal ions and the adsorption-desorption studies were investigated. Sorption interaction of chromium on to cyanobacterial species obeyed both the first and the second-order rate equation and the experimental data showed good fit with both the Langmuir and freundlich adsorption isotherm models. The maximum adsorption capacity was 22.92 mg/g at 25 {sup o}C and pH 3.0. The adsorption process was endothermic and the values of thermodynamic parameters of the process were calculated. Various properties of the cyanobacterium, as adsorbent, explored in the characterization part were chemical composition of the adsorbent, surface area calculation by BET method and surface functionality by FTIR. Sorption-desorption of chromium into inorganic solutions and distilled water were observed and this indicated the biosorbent could be regenerated using 0.1 M HNO{sub 3} and EDTA with upto 80% recovery. The biosorbents were reused in five biosorption-desorption cycles without a significant loss in biosorption capacity. Thus, this study demonstrated that the cyanobacterial biomass N. muscorum could be used as an efficient biosorbent for the treatment of chromium(VI) bearing wastewater.

Sorption and desorption studies of chromium(VI) from nonviable cyanobacterium Nostoc muscorum biomass

International Nuclear Information System (INIS)

Gupta, V.K.; Rastogi, A.

2008-01-01

This communication presents results pertaining to the sorptive and desorptive studies carried out on chromium(VI) removal onto nonviable freshwater cyanobacterium (Nostoc muscorum) biomass. Influence of varying the conditions for removal of chromium(VI), such as the pH of aqueous solution, the dosage of biosorbent, the contact time with the biosorbent, the temperature for the removal of chromium, the effect of light metal ions and the adsorption-desorption studies were investigated. Sorption interaction of chromium on to cyanobacterial species obeyed both the first and the second-order rate equation and the experimental data showed good fit with both the Langmuir and freundlich adsorption isotherm models. The maximum adsorption capacity was 22.92 mg/g at 25 o C and pH 3.0. The adsorption process was endothermic and the values of thermodynamic parameters of the process were calculated. Various properties of the cyanobacterium, as adsorbent, explored in the characterization part were chemical composition of the adsorbent, surface area calculation by BET method and surface functionality by FTIR. Sorption-desorption of chromium into inorganic solutions and distilled water were observed and this indicated the biosorbent could be regenerated using 0.1 M HNO 3 and EDTA with upto 80% recovery. The biosorbents were reused in five biosorption-desorption cycles without a significant loss in biosorption capacity. Thus, this study demonstrated that the cyanobacterial biomass N. muscorum could be used as an efficient biosorbent for the treatment of chromium(VI) bearing wastewater

Nanocrystalline NdFeB magnet prepared by mechanically activated disproportionation and desorption-recombination in-situ sintering

International Nuclear Information System (INIS)

Xiaoya, Liu; Yuping, Li; Lianxi, Hu

2013-01-01

The process of mechanically activated disproportionation and desorption-recombination in-situ sintering was proposed to synthesize highly densified nanocrystalline NdFeB magnet, and its validity was demonstrated by experimental investigation with the use of a Nd 16 Fe 76 B 8 (atomic ratio) alloy. Firstly, the as-cast alloy was disproportionated by mechanical milling in hydrogen, with the starting micron-sized Nd 2 Fe 14 B phase decomposed into an intimate mixture of nano-structured NdH 2.7 , Fe 2 B and α-Fe phases. The as-disproportionated alloy powders were compacted by cold pressing and then subjected to desorption-recombination in-situ sintering. The microstructure of both the as-disproportionated and the subsequently sintered samples was characterized by X-ray diffraction and electron transmission microscopy, respectively. The magnetic properties of the sintered samples were measured by using vibrating sample magnetometer. The results showed that, by vacuum sintering, not only was the powder compact consolidated, but also the as-disproportionated microstucture transformed into nanocrystalline Nd 2 Fe 14 B phase via the well-known desorption-recombination reaction, thus giving rise to nanocrystalline NdFeB magnet. In the present study, the optimal sintering parameters were found to be 780 °C×30 min. In this case, the coercivity, the remanence, and maximum energy product of the magnet sample achieved 0.8 T, 635.3 kA/m, and 106.3 kJ/m 3 , respectively. - Highlights: ► Nano-structured disproportionated NdFeB alloy powders by mechanical milling in hydrogen. ► Highly densified green magnet compact by cold pressing of as-disproportionated NdFeB alloy powders. ► Nanocrystalline NdFeB magnets by desorption-recombination in-situ sintering under vacuum. ► Magnetic properties significantly improved by relative density enhancement and nanocrystallization of Nd 2 Fe 14 B phase. ► The effects of sintering parameters on magnetic properties and the underlying

"Job-Sharing" Storage of Hydrogen in Ru/Li₂O Nanocomposites.

Science.gov (United States)

Fu, Lijun; Tang, Kun; Oh, Hyunchul; Manickam, Kandavel; Bräuniger, Thomas; Chandran, C Vinod; Menzel, Alexander; Hirscher, Michael; Samuelis, Dominik; Maier, Joachim

2015-06-10

A "job-sharing" hydrogen storage mechanism is proposed and experimentally investigated in Ru/Li2O nanocomposites in which H(+) is accommodated on the Li2O side, while H(-) or e(-) is stored on the side of Ru. Thermal desorption-mass spectroscopy results show that after loading with D2, Ru/Li2O exhibits an extra desorption peak, which is in contrast to Ru nanoparticles or ball-milled Li2O alone, indicating a synergistic hydrogen storage effect due to the presence of both phases. By varying the ratio of the two phases, it is shown that the effect increases monotonically with the area of the heterojunctions, indicating interface related hydrogen storage. X-ray diffraction, Fourier transform infrared spectroscopy, and nuclear magnetic resonance results show that a weak LiO···D bond is formed after loading in Ru/Li2O nanocomposites with D2. The storage-pressure curve seems to favor H(+)/H(-) over H(+)/e(-) mechanism.

Interaction of hydrogen and oxygen with continuous or granular films of palladium

Energy Technology Data Exchange (ETDEWEB)

Mikhalenko, I.I.; Prokopov, A.M.; Yagodovskii, V.D.

1986-03-01

The authors use desorption and conductometric methods in establishing the existence of three species of adsorbed hydrogen on continuous Pd films and two species on Pd films with a granular structure. Preoxidation of the surface of the continuous films does not affect the rate or kinetic order of hydrogen sorption; oxidation/reduction treatment changes these parameters, but the magnitude of Edes of hydrogen remains unchanged.

Dependence of hydrogen storage characteristics of mechanically milled carbon materials on their host structures

International Nuclear Information System (INIS)

Shindo, K.; Kondo, T.; Sakurai, Y.

2004-01-01

We investigated whether the hydrogen storage characteristics of carbon materials prepared by mechanical milling in an H 2 atmosphere were dependent on their host structures. We used natural graphite (NG) and activated carbon fibers (ACF) and compared them with activated carbon (AC) powders. The XRD patterns of NG and ACF milled for over 20 h and SEM images of these samples milled for 80 h were almost the same as those of AC. The hydrogen storage capacities of NG and ACF estimated by the inert gas fusion-thermal conductivity method increased with the mechanical milling time up to 10 h and showed little milling time dependence thereafter. The capacities of NG and ACF reached about 3.0 wt.% and were similar to that of AC. However, it should be noted that the hydrogen storage mechanism of NG and ACF mechanically milled in an H 2 atmosphere might be different because the changes in their specific surface areas with milling time were opposite. Thermal desorption mass spectroscopy (TDS) revealed that the desorption spectra of the hydrogen molecules (mass number=2) of NG and ACF milled for 10 h in the same way as AC contained two peaks at about 500 and 800 deg. C. The desorption activation energies of hydrogenated NG and ACF at these peaks calculated from a Kissinger plot were almost with the same as those of hydrogenated AC. This suggests that the state of the hydrogen trapped in the structural defects in NG introduced by the mechanical milling may be almost the same as that of AC. In addition, we assumed the possibility that the state of the hydrogen in ACF hydrogenated by mechanical milling could be almost the same as that in hydrogenated AC. We considered that the nanocarbon materials hydrogenated under our milling conditions had very similar physical shapes and hydrogen storage capacities, independent of their host structures

Sorption/Desorption Behavior and Mechanism of NH4(+) by Biochar as a Nitrogen Fertilizer Sustained-Release Material.

Science.gov (United States)

Cai, Yanxue; Qi, Hejinyan; Liu, Yujia; He, Xiaowei

2016-06-22

Biochar, the pyrolysis product of biomass material with limited oxygen, has the potential to increase crop production and sustained-release fertilizer, but the understanding of the reason for improving soil fertility is insufficient, especially the behavior and mechanism of ammonium sulfate. In this study, the sorption/desorption effect of NH4(+) by biochar deriving from common agricultural wastes under different preparation temperatures from 200 to 500 °C was studied and its mechanism was discussed. The results showed that biochar displayed excellent retention ability in holding NH4(+) above 90% after 21 days under 200 °C preparation temperature, and it can be deduced that the oxygen functional groups, such as carboxyl and keto group, played the primary role in adsorbing NH4(+) due to hydrogen bonding and electrostatic interaction. The sorption/desorption effect and mechanism were studied for providing an optional way to dispose of agricultural residues into biochar as a nitrogen fertilizer sustained-release material under suitable preparation temperature.

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.

Influence of the evaporation rate and the evaporation mode on the hydrogen sorption kinetics of air-exposed magnesium films

International Nuclear Information System (INIS)

Leon, A.; Knystautas, E.J.; Huot, J.; Schulz, R.

2006-01-01

It has been shown that the hydrogen sorption properties of air-exposed magnesium films are influenced by the deposition parameters such as the evaporation rate or the evaporation mode used during their preparation. As the evaporation rate increases, the structure of the film tends to be highly oriented along the [002] direction and the kinetics of hydrogen absorption and desorption are faster. Moreover, the hydrogen sorption kinetics of magnesium films prepared with an electron beam source under a high vacuum are faster by almost a factor of two compared to those prepared using resistive heating under low vacuum. These two parameters reduce drastically the activation and the incubation period during hydrogen absorption and desorption, respectively

Hydrogen retention behavior of beryllides as advanced neutron multipliers

Directory of Open Access Journals (Sweden)

Y. Fujii

2016-12-01

Full Text Available Beryllium intermetallic compounds (beryllides are the most promising candidate materials for use as advanced neutron multipliers in future fusion reactors because of their low swelling and high stability at high temperatures. Recently, beryllium–titanium beryllide pebbles such as Be12Ti have been successfully fabricated using a novel granulation process. In this study, the fundamental aspects of the behavior of hydrogen isotopes in Be12Ti pebbles were investigated via thermal desorption spectroscopy and transmission electron microscopy. In addition, atomistic calculations using first principles electronic-structure methods were applied to determine the solution energy of hydrogen in Be12Ti. The results showed simpler and weaker hydrogen-trapping efficiency for Be12Ti than for pure Be.

Physisorption and desorption of H2, HD and D2 on amorphous solid water ice. Effect on mixing isotopologue on statistical population of adsorption sites.

Science.gov (United States)

Amiaud, Lionel; Fillion, Jean-Hugues; Dulieu, François; Momeni, Anouchah; Lemaire, Jean-Louis

2015-11-28

We study the adsorption and desorption of three isotopologues of molecular hydrogen mixed on 10 ML of porous amorphous water ice (ASW) deposited at 10 K. Thermally programmed desorption (TPD) of H2, D2 and HD adsorbed at 10 K have been performed with different mixings. Various coverages of H2, HD and D2 have been explored and a model taking into account all species adsorbed on the surface is presented in detail. The model we propose allows to extract the parameters required to fully reproduce the desorption of H2, HD and D2 for various coverages and mixtures in the sub-monolayer regime. The model is based on a statistical description of the process in a grand-canonical ensemble where adsorbed molecules are described following a Fermi-Dirac distribution.

Formation of H- ions via vibrational excited molecules produced from recombinative wall desorption of H atoms in a low-pressure H/sub 2/ positive column

NARCIS (Netherlands)

Amorim, J.; Loureiro, J.; Schram, D.C.

2001-01-01

Recombinative wall desorption of hydrogen atoms in a low-pressure hydrogen positive column leading to formation of H/sub 2/ (X/sup 1/ Sigma /sub g//sup +/, v) molecules in optimum levels for H/sup -/ production by dissociative attachment is investigated. We employed a kinetic model that solves the

Retention of hydrogen isotopes and helium in nickel

Energy Technology Data Exchange (ETDEWEB)

Okada, Mitsumasa; Sato, Rikiya; Yamaguchi, Kenji; Yamawaki, Michio [Tokyo Univ., Tokai, Ibaraki (Japan). Nuclear Engineering Research Lab.

1996-10-01

In the present study, a thin foil of nickel was irradiated by H{sub 2}{sup +}, D{sub 2}{sup +} and He{sup +} to a fluence of 1.2-6.0x10{sup 20}/m{sup 2} using the TBTS (Tritium Beam Test System) apparatus. The thermal desorption spectroscopy (TDS) technique was employed to evaluate the total amount of retained hydrogen isotope and helium atoms in nickel. In the spectra, two peaks appeared at 440-585K and 720-735K for helium. Hydrogen isotopes irradiation after helium preirradiation were found to enhance the helium release and to decrease the peak temperatures. Helium irradiation after hydrogen isotopes preirradiation were found to enhance the helium release, but the peak temperature showed little difference from that without preirradiation. (author)

Hydrogen energy in changing environmental scenario: Indian context

International Nuclear Information System (INIS)

Leo Hudson, M. Sterlin; Dubey, P.K.; Pukazhselvan, D.; Pandey, Sunil Kumar; Singh, Rajesh Kumar; Raghubanshi, Himanshu; Shahi, Rohit R.; Srivastava, O.N.

2009-01-01

This paper deals with how the Hydrogen Energy may play a crucial role in taking care of the environmental scenario/climate change. The R and D efforts, at the Hydrogen Energy Center, Banaras Hindu University have been described and discussed to elucidate that hydrogen is the best option for taking care of the environmental/climate changes. All three important ingredients for hydrogen economy, i.e., production, storage and application of hydrogen have been dealt with. As regards hydrogen production, solar routes consisting of photoelectrochemical electrolysis of water have been described and discussed. Nanostructured TiO 2 films used as photoanodes have been synthesized through hydrolysis of Ti[OCH(CH 3 ) 2 ] 4 . Modular designs of TiO 2 photoelectrode-based PEC cells have been fabricated to get high hydrogen production rate (∝10.35 lh -1 m -2 ). However, hydrogen storage is a key issue in the success and realization of hydrogen technology and economy. Metal hydrides are the promising candidates due to their safety advantage with high volume efficient storage capacity for on-board applications. As regards storage, we have discussed the storage of hydrogen in intermetallics as well as lightweight complex hydride systems. For intermetallic systems, we have dealt with material tailoring of LaNi 5 through Fe substitution. The La(Ni l-x Fe x ) 5 (x = 0.16) has been found to yield a high storage capacity of ∝2.40 wt%. We have also discussed how CNT admixing helps to improve the hydrogen desorption rate of NaAlH 4 . CNT (8 mol%) admixed NaAlH 4 is found to be optimum for faster desorption (∝3.3 wt% H 2 within 2 h). From an applications point of view, we have focused on the use of hydrogen (stored in intermetallic La-Ni-Fe system) as fuel for Internal Combustion (IC) engine-based vehicular transport, particularly two and three-wheelers. It is shown that hydrogen used as a fuel is the most effective alternative fuel for circumventing climate change. (author)

Multi-level computational chemistry study on hydrogen recombination catalyst of off-gas treatment system

International Nuclear Information System (INIS)

Hatakeyama, Nozomu; Ise, Mariko; Inaba, Kenji

2011-01-01

In order to reveal the deactivation mechanism of the hydrogen recombination catalyst of off-gas treatment system, we investigate by using multi-level computational chemistry simulation methods. The recombiner apparatus is modeled by the numerical mesh system in the axial coordinates, and unsteady, advection and reaction rate equations are solved by using a finite difference method. The chemical reactions are formulated to represent adsorption-desorption of hydrogen and oxygen on Pt catalyst, and time developments of the coverage factors of Pt are solved numerically. The computational simulations successfully reproduce the very similar behaviors observed by experiments, such as increasing of the inversion rates of H 2 to H 2 O, the temperatures distributions along the flow direction, dependencies of experimental condition, and so on. Thus Pt poisoning is considered to cause the deactivation of the hydrogen recombination catalyst. To clarify the poisoning mechanism, the molecular level simulation is applied to the system of Pt on boehmite attacked by a cyclic siloxane which has been detected by experiments and considered as one of poisoning spices. The simulation shows ring-opening reaction of the cyclic siloxane on Pt, then attachment of two ends of the chain-like siloxane to Pt and boehmite, respectively, and that finally the recombination reaction is prevented. This may be the first study to find out the detailed dynamical mechanism of hydrogen recombination catalyst poisoning with cyclic siloxane. (author)

Hydrogenated amorphous carbon next deposit after heat treatment

International Nuclear Information System (INIS)

Salancon, E.; Durbeck, T.; Schwarz-Selinger, T.; Jacob, W.

2006-01-01

One of the main safety problems in the ITER tokamak project is the tritium adsorption in the reactor walls and in particular the deposits which appear after the plasma discharge. These deposits are amorphous hydrogenated carbon films, type polymer (soft a-C:H). The heating of these deposits with a pulse laser is a proposed solution for the tritium desorption. Meanwhile, Gibson and al show that in experimental conditions, products are deposed on the walls before entering the mass spectrometer. The authors present thermo-desorption spectra of different amorphous carbon films. (A.L.B.)

Influence of Surface Charge/Potential of a Gold Electrode on the Adsorptive/Desorptive Behaviour of Fibrinogen

International Nuclear Information System (INIS)

Dargahi, Mahdi; Konkov, Evgeny; Omanovic, Sasha

2015-01-01

Highlights: • Adsorptive/desorptive behavior of fibrinogen (FG) on an electrochemically-polarized gold substrate is reported. • The adsorption affinity of FG (afFG) is constant on a negatively-charged substrate surface. • The afFG increases linearly with an increase in positive substrate surface charge. • The FG adsorption kinetics is strongly dependant on substrate surface charge. • The adsorbed FG layer can be desorbed by electrochemical evolution of hydrogen and oxygen. - Abstract: The effect of gold substrate surface charge (potential) on adsorptive/desorptive behaviour of fibrinogen (FG) was studied by employing differential capacitance (DC) and polarization modulated infrared reflection absorption spectroscopy (PM-IRRAS), in terms of FG adsorption thermodynamics, kinetics, and desorption kinetics. The gold substrate surface charge was modulated in-situ within the electrochemical double-layer region by means of electrochemical potentiostatic polarization in a FG-containing electrolyte, thus avoiding the interference of other physico-chemical properties of the gold surface on FG’s interfacial behaviour. The FG adsorption equilibrium was modeled using the Langmuir isotherm. Highly negative values of apparent Gibbs free energy of adsorption (ranging from from −52.1 ± 0.4 to −55.8 ± 0.8 kJ mol −1 , depending on the FG adsorption potential) indicated a highly spontaneous and strong adsorption of FG onto the gold surface. The apparent Gibbs free energy of adsorption was found to be independent of surface charge when the surface was negatively charged. However, when the gold surface was positively charged, the apparent Gibbs free energy of adsorption exhibited a pronounced linear relationship with the surface charge, shifting to more negative values with an increase in positive electrode potential. The adsorption kinetics of FG was also found to be dependent on gold surface charge in a similar manner to the apparent Gibbs free energy of adsorption

Study of adsorption and desorption of water on Li4SiO4

International Nuclear Information System (INIS)

Schauer, V.; Schumacher, G.; Kernforschungszentrum Karlsruhe GmbH

1989-01-01

Lithium orthosilicate is one of the candidate materials for tritium breeding in a fusion reactor blanket. The release of tritium from this material depens on diffusion in the bulk and on desorption from the surface of the material which is usually covered by adsorbed water. Adsorption and desorption of water was examined to gain an insight into the release of tritium from the surface. Temperature controlled desorption experiments with lithium orthosilicate powder show desorption peaks which are assigned to the desorption of physisorbed water. At temperatures above 390 K and partial pressures up to 1.6 mbar water is absorbed in the first layer on the surface only. Immersion experiments gave much too high values of the heat of immersion for spray dried powder but reasonable 82 kJ/mol of water for spheres of 0.5 mm diameter produced from molten orthosilicate. (orig.)

Catalyzed Na2LiAlH6 for hydrogen storage

International Nuclear Information System (INIS)

Ma, X.Z.; Martinez-Franco, E.; Dornheim, M.; Klassen, T.; Bormann, R.

2005-01-01

In the present study, the complex alanate Na 2 LiAlH 6 is synthesized by high-energy milling of powder blends containing NaH and LiAlH 4 . The related thermodynamics are determined. In addition, a comprehensive study was performed to investigate the influence of different oxide and halide catalysts on the kinetics of hydrogen absorption and desorption, as well as their general drawback to decrease storage capacity

Effects of External Hydrogen on Hydrogen Transportation and Distribution Around the Fatigue Crack Tip in Type 304 Stainless Steel

Science.gov (United States)

Chen, Xingyang; Zhou, Chengshuang; Cai, Xiao; Zheng, Jinyang; Zhang, Lin

2017-10-01

The effects of external hydrogen on hydrogen transportation and distribution around the fatigue crack tip in type 304 stainless steel were investigated by using hydrogen microprint technique (HMT) and thermal desorption spectrometry. HMT results show that some silver particles induced by hydrogen release are located near the fatigue crack and more silver particles are concentrated around the crack tip, which indicates that hydrogen accumulates in the vicinity of the crack tip during the crack growth in hydrogen gas environment. Along with the crack propagation, strain-induced α' martensite forms around the crack tip and promotes hydrogen invasion into the matrix, which will cause the crack initiation and propagation at the austenite/ α' martensite interface. In addition, the hydrogen content in the vicinity of the crack tip is higher than that at the crack edge far away from the crack tip, which is related to the stress state and strain-induced α' martensite.

XPS study of influence of exposure to air on thermal stability and kinetics of hydrogen decomposition of MgH{sub 2} films obtained by direct hydrogenation from gaseous phase of metallic Mg

Energy Technology Data Exchange (ETDEWEB)

Dobrovolsky, V.D., E-mail: dobersh@ipms.kiev.ua; Khyzhun, O.Y.; Sinelnichenko, A.K.; Ershova, O.G.; Solonin, Y.M.

2017-02-15

Highlights: • Air influence on thermal stability of MgH{sub 2} have been studied by XPS. • XPS spectra of MgH{sub 2} films obtained at different hydrogen pressures have been studied. • Changes in the chemical state of MgH{sub 2} films depending on time of exposure to air are analyzed. • Correlation exists between chemical surface condition of MgH{sub 2} films and their thermal stableness. • Process of hydrogen desorption from MgH{sub 2} films is studied using TDS for model samples. - Abstract: Mechanism of influence of exposure to air on thermal stability of MgH{sub 2} obtained by direct hydrogenation from the gas phase, the nature of the hydride sensitivity to the negative impact of air and the role of its surface chemical state have not been studied enough. The present article presents data of X-ray photoelectron spectroscopy (XPS) measurements of the Mg 2s, O 1s, C 1s core-level spectra of surface of hydride MgH{sub 2} films derived by gas phase hydrogenation of model samples of metallic Mg, and the evolution of changes in the chemical state of the surface of the hydride films depending on the time of exposure to air and formation conditions (hydrogen pressure and hydrogenation regime). Based on results of XPS, X-ray diffraction (XRD), and thermodesorption spectroscopy (TDS), the existence of a relationship (correlation) between chemical surface condition of hydride MgH{sub 2} films obtained at different hydrogen pressures (3.0 MPa and 11.5 MPa) and their thermal stableness and temperature of the beginning of hydride decomposition has been established.

Carbon tetrachloride desorption from activated carbon

International Nuclear Information System (INIS)

Jonas, L.A.; Sansone, E.B.

1981-01-01

Carbon tetrachloride was desorbed from a granular activated carbon subsequent to its adsorption under various vapor exposure periods. The varied conditions of exposure resulted in a range of partially saturated carbon beds which, when followed by a constant flow rate for desorption, generated different forms of the desorbing concentration versus time curve. A method of analyzing the desorption curves is presented which permits extraction of the various desorbing rates from the different desorption and to relate this to the time required for such regeneration. The Wheeler desorption kinetic equation was used to calculate the pseudo first order desorption rate constant for the carbon. The desorption rate constant was found to increase monotonically with increasing saturation of the bed, permitting the calculation of the maximum desorption rate constant for the carbon at 100% saturation. The Retentivity Index of the carbon, defined as the dimensionless ratio of the adsorption to the desorption rate constant, was found to be 681

Modification of the properties of Pt-Al/sub 2/O/sub 3/ catalysts by hydrogen at high temperatures

Energy Technology Data Exchange (ETDEWEB)

Menon, P.G.; Froment, G.F.

1979-08-01

Pulse reactor studies were performed on the hydrogenolysis of n-pentane and n-hexane at 400/sup 0/C on two commercial reforming catalysts that contained 0.6 and 0.75% platinum on alumina, respectively, and which were calcined in air at 500/sup 0/C, followed by hydrogen-reduction at 400/sup 0/-600/sup 0/C. On catalysts reduced at 400/sup 0/C, hydrogenolysis was the main reaction; with increasing reducing temperature, hydrogenolysis was suppressed and isomerization selectivity increased; at 550/sup 0/C pretreatment temperature, hydrogenolysis was near zero. This selective catalyst deactivation was reversed by oxidizing the catalyst in air at 500/sup 0/C in a similar manner as previously found for sulfided and chlorided catalysts. Temperature-programed desorption of hydrogen adsorbed at 20/sup 0/-600/sup 0/C revealed that the higher the adsorption temperature, the higher the temperature of the hydrogen desorption peaks: the hydrogen adsorbed below 400/sup 0/C desorbed mainly at 50/sup 0/-300/sup 0/C, but the hydrogen adsorbed at higher temperatures desorbed at 300/sup 0/-500/sup 0/C. Apparently, two types of hydrogen adsorb in the two temperature regions, of which the more strongly adsorbed type inhibits hydrogenolysis but not isomerization.

Investigation of microstructure changes in ODS-EUROFER after hydrogen loading

International Nuclear Information System (INIS)

Emelyanova, O.V.; Ganchenkova, M.G.; Malitskii, E.; Yagodzinskyy, Y.N.; Klimenkov, M.; Borodin, V.A.; Vladimirov, P.V.; Lindau, R.; Möslang, A.; Hänninen, H.

2016-01-01

The effect of hydrogen on the microstructure of mechanically tested ODS-EUROFER steel was investigated by means of transmission electron microscopy, thermal desorption spectroscopy, and atomistic simulations. The presence of yttrium oxide particles notably increases hydrogen uptake in ODS-EUROFER steel as compared to ODS-free EUROFER 97. Under tensile loading, hydrogen accumulation promotes the loss of cohesion at the oxide particle interfaces. First-principles molecular dynamics simulations indicate that hydrogen can be trapped at nanoparticle/matrix interface, creating OH-groups. The accumulation of hydrogen atoms at the oxide particle surface can be the reason for the observed hydrogen-induced oxide/matrix interface weakening and de-cohesion under the action of external tensile stress.

Modelling of hydrogen permeability of membranes for high-purity hydrogen production

Science.gov (United States)

Zaika, Yury V.; Rodchenkova, Natalia I.

2017-11-01

High-purity hydrogen is required for clean energy and a variety of chemical technology processes. Different alloys, which may be well-suited for use in gas-separation plants, were investigated by measuring specific hydrogen permeability. One had to estimate the parameters of diffusion and sorption to numerically model the different scenarios and experimental conditions of the material usage (including extreme ones), and identify the limiting factors. This paper presents a nonlinear mathematical model taking into account the dynamics of sorption-desorption processes and reversible capture of diffusing hydrogen by inhomogeneity of the material’s structure, and also modification of the model when the transport rate is high. The results of numerical modelling allow to obtain information about output data sensitivity with respect to variations of the material’s hydrogen permeability parameters. Furthermore, it is possible to analyze the dynamics of concentrations and fluxes that cannot be measured directly. Experimental data for Ta77Nb23 and V85Ni15 alloys were used to test the model. This work is supported by the Russian Foundation for Basic Research (Project No. 15-01-00744).

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.

Thermal desorption and surface modification of He+ implanted into tungsten

International Nuclear Information System (INIS)

Fu Zhang; Yoshida, N.; Iwakiri, H.; Xu Zengyu

2004-01-01

Tungsten divertor plates in fusion reactors will be subject to helium bombardment. Helium retention and thermal desorption is a concerned issue in controlling helium ash. In the present study, fluence dependence of thermal desorption behavior of helium in tungsten was studied at different irradiation temperatures and ion energies. Results showed that helium desorption could start at ∼400 K with increasing fluence, while no noticeable peaks were detected at low fluence. Total helium desorption reached a saturation value at high fluence range, which was not sensitive to irradiation temperature or ion energy for the conditions evaluated. Surface modifications caused by either ion irradiation or thermal desorption were observed by SEM. The relationship of surface modifications and helium desorption behavior was discussed. Some special features of elevated irradiation temperature and lower ion energy were also indicated

Enhanced hydrogen storage on Li-doped defective graphene with B substitution: A DFT study

Energy Technology Data Exchange (ETDEWEB)

Zhou, Yanan [School of Chemical Engineering, Sichuan University, Chengdu 610065, Sichuan (China); Chu, Wei, E-mail: chuwei1965@scu.edu.cn [School of Chemical Engineering, Sichuan University, Chengdu 610065, Sichuan (China); Jing, Fangli [School of Chemical Engineering, Sichuan University, Chengdu 610065, Sichuan (China); Zheng, Jian [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, Southwest University of Science and Technology, Mianyang, 621010 (China); Sun, Wenjing [China-America Cancer Research Institute, Key Laboratory for Medical Molecular Diagnostics of Guangdong Province, Guangdong Medical University, Dongguan, Guangdong 523808 (China); Xue, Ying [Key Laboratory Green Chemistry & Technology of Ministry of Education (MOE), College of Chemistry, Sichuan University, Chengdu 610064, Sichuan (China)

2017-07-15

Highlights: • Li atoms were found to be well dispersed on defective structures without clustering. • First H{sub 2} with five different initial configurations on Li/MV, Li/DV, Li/BMV, Li/BDV were explored in order. • Each system could bind up to three H{sub 2} molecules with hydrogen average adsorption energies close to the range of 0.2–0.4 eV. • H{sub 2} molecules bind with systems through weak electrostatic interaction between Li cation and induced H{sub 2} dipole. • H{sub 2} adsorption and desorption on the studied systems can process under ambient conditions. - Abstract: The characteristics of hydrogen adsorption on Li-doped defective graphene systems were investigated using density functional theory (DFT) calculations. Four types of defective structures were selected. Li atoms were well dispersed on the defective graphene without clustering, evidenced by the binding energy value between Li and defective graphene than that of Li-Li{sub x}. Additionally, as the amount of adsorbed H{sub 2} molecules increase, the H{sub 2} molecules show tilting configuration toward the Li adatom. This is beneficial for more hydrogen adsorption under the electrostatic interaction. On these four stable structures, there were up to three polarized H{sub 2} molecules adsorbed on per Li adatom, with the average hydrogen adsorption energy in the range of approximately 0.2–0.4 eV. These results provide new focus on the nature of Li-doped defective graphene with sometimes B substitution medium, which could be considered as a promising candidate for hydrogen storage.

Enhanced Hydrogen Storage Properties and Reversibility of LiBH4 Confined in Two-Dimensional Ti3C2.

Science.gov (United States)

Zang, Lei; Sun, Weiyi; Liu, Song; Huang, Yike; Yuan, Huatang; Tao, Zhanliang; Wang, Yijing

2018-05-30

LiBH 4 is of particular interest as one of the most promising materials for solid-state hydrogen storage. Herein, LiBH 4 is confined into a novel two-dimensional layered Ti 3 C 2 MXene through a facile impregnation method for the first time to improve its hydrogen storage performance. The initial desorption temperature of LiBH 4 is significantly reduced, and the de-/rehydrogenation kinetics are remarkably enhanced. It is found that the initial desorption temperature of LiBH 4 @2Ti 3 C 2 hybrid decreases to 172.6 °C and releases 9.6 wt % hydrogen at 380 °C within 1 h, whereas pristine LiBH 4 only releases 3.2 wt % hydrogen under identical conditions. More importantly, the dehydrogenated products can partially rehydrogenate at 300 °C and under 95 bar H 2 . The nanoconfined effect caused by unique layered structure of Ti 3 C 2 can hinder the particles growth and agglomeration of LiBH 4 . Meanwhile, Ti 3 C 2 could possess superior effect to destabilize LiBH 4 . The synergetic effect of destabilization and nanoconfinement contributes to the remarkably lowered desorption temperature and improved de-/rehydrogenation kinetics.

Hydrogenation of Phenylacetylene to Styrene on Pre-C{sub x}H{sub y}- and C-Covered Cu(111) Single Crystal Catalysts

Energy Technology Data Exchange (ETDEWEB)

Sohn, Young Ku [Yeungnam University, Gyeongsan (Korea, Republic of); Wei, Wei; White, John M. [The University of Texas at Austin, Texas (United States)

2011-05-15

Thermal hydrogenation of phenylacetylene (PA, C{sub 8}H{sub 6}) to styrene (C{sub 8}H{sub 8}) on pre-C{sub x}H{sub y}- and C-covered Cu(111) single crystal substrates has been studied using temperature-programmed desorption (TPD) mass spectrometry. Chemisorbed PA with an acetylene group has been proved to be associated with hydrogen of pre-adsorbed C{sub x}H{sub y} to form styrene (104 amu) on Cu surface. For the parent (PA) mass (102 amu) TPD profile, the TPD peaks at 360 K and 410 K are assigned to chemisorbed vertically aligned PA and flat-lying cross-bridged PA, respectively (J. Phys. Chem. C 2007, 111, 5101). The relative I{sub 360K}/I{sub 410K} TPD ratio dramatically increases with increasing pre-adsorbed C{sub x}H{sub y} before dosing PA, while the ratio does not increase for pre-C-covered surface. For PA on pre-C{sub x}H{sub y}-covered Cu(111) surface, styrene desorption is enhanced relative to the parent PA desorption, while styrene formation is dramatically quenched on pre-C-covered (lack of adsorbed hydrogen nearby) surface. It appears that only cross-bridged PA associates with adsorbed hydrogen to form styrene that promptly desorbs at 410 K, while vertically aligned PA is less likely to participate in forming styrene.

Qualitative and quantitative analysis of complex temperature-programmed desorption data by multivariate curve resolution

Science.gov (United States)

Rodríguez-Reyes, Juan Carlos F.; Teplyakov, Andrew V.; Brown, Steven D.

2010-10-01

The substantial amount of information carried in temperature-programmed desorption (TPD) experiments is often difficult to mine due to the occurrence of competing reaction pathways that produce compounds with similar mass spectrometric features. Multivariate curve resolution (MCR) is introduced as a tool capable of overcoming this problem by mathematically detecting spectral variations and correlations between several m/z traces, which is later translated into the extraction of the cracking pattern and the desorption profile for each desorbate. Different from the elegant (though complex) methods currently available to analyze TPD data, MCR analysis is applicable even when no information regarding the specific surface reaction/desorption process or the nature of the desorbing species is available. However, when available, any information can be used as constraints that guide the outcome, increasing the accuracy of the resolution. This approach is especially valuable when the compounds desorbing are different from what would be expected based on a chemical intuition, when the cracking pattern of the model test compound is difficult or impossible to obtain (because it could be unstable or very rare), and when knowing major components desorbing from the surface could in more traditional methods actually bias the quantification of minor components. The enhanced level of understanding of thermal processes achieved through MCR analysis is demonstrated by analyzing three phenomena: i) the cryogenic desorption of vinyltrimethylsilane from silicon, an introductory system where the known multilayer and monolayer components are resolved; ii) acrolein hydrogenation on a bimetallic Pt-Ni-Pt catalyst, where a rapid identification of hydrogenated products as well as other desorbing species is achieved, and iii) the thermal reaction of Ti[N(CH 3) 2] 4 on Si(100), where the products of surface decomposition are identified and an estimation of the surface composition after the

Reaction-diffusion modeling of hydrogen in beryllium

Energy Technology Data Exchange (ETDEWEB)

Wensing, Mirko; Matveev, Dmitry; Linsmeier, Christian [Forschungszentrum Juelich GmbH, Institut fuer Energie- und Klimaforschung - Plasmaphysik (Germany)

2016-07-01

Beryllium will be used as first-wall material for the future fusion reactor ITER as well as in the breeding blanket of DEMO. In both cases it is important to understand the mechanisms of hydrogen retention in beryllium. In earlier experiments with beryllium low-energy binding states of hydrogen were observed by thermal desorption spectroscopy (TDS) which are not yet well understood. Two candidates for these states are considered: beryllium-hydride phases within the bulk and surface effects. The retention of deuterium in beryllium is studied by a reaction rate approach using a coupled reaction diffusion system (CRDS)-model relying on ab initio data from density functional theory calculations (DFT). In this contribution we try to assess the influence of surface recombination.

Coverage dependent desorption dynamics of deuterium on Si(100) surfaces: interpretation with a diffusion-promoted desorption model.

Science.gov (United States)

Matsuno, T; Niida, T; Tsurumaki, H; Namiki, A

2005-01-08

We studied coverage dependence of time-of-flight (TOF) spectra of D2 molecules thermally desorbed from the D/Si(100) surface. The mean translational energies Et of desorbed D2 molecules were found to increase from 0.20+/-0.05 eV to 0.40+/-0.04 eV as the desorption coverage window was decreased from 1.0 ML> or =thetaD> or =0.9 ML to 0.2 ML> or =thetaD> or =0 ML, being consistent with the kinetics switch predicted in the interdimer mechanism. The measured TOF spectra were deconvoluted into 2H, 3H, and 4H components by a curve fitting method along the principle of detailed balance. As a result, it turned out that the desorption kinetics changes from the 4H to the 3H situation at high coverage above thetaD=0.9 ML, while the 2H desorption is dominant for a quite wide coverage region up to thetaD=0.8 ML. A dynamic desorption mechanism by which the desorption is promoted by D-atom diffusion to dangling bonds was proposed. 2005 American Institute of Physics.

Kinetics Study of Gas Pollutant Adsorption and Thermal Desorption on Silica Gel

Directory of Open Access Journals (Sweden)

Rong A

2017-06-01

Full Text Available Silica gel is a typical porous desiccant material. Its adsorption performance for gaseous air pollutants was investigated to determine its potential contribution to reducing such pollutants. Three gaseous air pollutants, toluene, carbon dioxide, and methane, were investigated in this paper. A thermogravimetric analyzer was used to obtain the equilibrium adsorption capacity of gases on single silica gel particles. The silica gel adsorption capacity for toluene is much higher than that for carbon dioxide and methane. To understand gas pollutant thermal desorption from silica gel, the thermogravimetric analysis of toluene desorption was conducted with 609 ppm toluene vapor at 313 K, 323 K, and 333 K. The overall regeneration rate of silica gel was strongly dependent on temperature and the enthalpy of desorption. The gas pollutant adsorption performance and thermal desorption on silica gel material may be used to estimate the operating and design parameters for gas pollutant adsorption by desiccant wheels.

A DFT study and micro-kinetic analysis of acetylene selective hydrogenation on Pd-doped Cu(111) surfaces

International Nuclear Information System (INIS)

Ma, Ling-Ling; Lv, Cun-Qin; Wang, Gui-Chang

2017-01-01

Semi-hydrogenation of acetylene in a hydrogen-rich stream is an industrially important process. Inspired by the recent experiments that Cu(111) surface doped by a small number of Pd atoms can exhibit excellent catalytic performance toward the dissociation of H_2 molecule as well as the high selective hydrogenation of acetylene as compared with pure Cu and Pd metal alone at low-temperature, here we performed systematic first-principles calculations to investigate the corresponding reaction mechanism related to the acetylene hydrogenation processes on single atom alloys (SAAs) and monolayer Pd/Cu(111) (i.e.,1.00 ML Pd/Cu(111)) model catalysts in detail, and to explore the possible factors controlling the high selectivity on SAAs. Our results clearly demonstrate that the SAA catalyst has higher selectivity for the ethylene formation than that of 1.00 ML Pd/Cu(111), and lower activity for the acetylene conversion compared with that of 1.00 ML Pd/Cu(111). The relatively high selectivity on SAA is mainly due to the facile desorption of ethylene and moderate activity in the dissociation of molecular H_2. The main factor which lowers the selectivity towards the ethylene formation on 1.00 ML Pd/Cu(111) is that this system has a higher capacity to promote the breaking of C−H/C−C bonds, which leads to the formation of carbonaceous deposits and polymers such as benzene, and thus reduces the selectivity for the ethylene formation. Meanwhile, it was found that the desorption energy of ethylene on these two surfaces was smaller than the energy barrier of further hydrogenation, which results in the absence of ethane on these two systems. Micro-kinetic model analysis provides a further valuable insight into the evidence for the key factors controlling the catalytic activity and selectivity towards the selective hydrogenation of acetylene. Our findings may help people to design a highly selective hydrogenation catalyst by controlling the balance between the H_2 dissociation and

A DFT study and micro-kinetic analysis of acetylene selective hydrogenation on Pd-doped Cu(111) surfaces

Science.gov (United States)

Ma, Ling-Ling; Lv, Cun-Qin; Wang, Gui-Chang

2017-07-01

Semi-hydrogenation of acetylene in a hydrogen-rich stream is an industrially important process. Inspired by the recent experiments that Cu(111) surface doped by a small number of Pd atoms can exhibit excellent catalytic performance toward the dissociation of H2 molecule as well as the high selective hydrogenation of acetylene as compared with pure Cu and Pd metal alone at low-temperature, here we performed systematic first-principles calculations to investigate the corresponding reaction mechanism related to the acetylene hydrogenation processes on single atom alloys (SAAs) and monolayer Pd/Cu(111) (i.e.,1.00 ML Pd/Cu(111)) model catalysts in detail, and to explore the possible factors controlling the high selectivity on SAAs. Our results clearly demonstrate that the SAA catalyst has higher selectivity for the ethylene formation than that of 1.00 ML Pd/Cu(111), and lower activity for the acetylene conversion compared with that of 1.00 ML Pd/Cu(111). The relatively high selectivity on SAA is mainly due to the facile desorption of ethylene and moderate activity in the dissociation of molecular H2. The main factor which lowers the selectivity towards the ethylene formation on 1.00 ML Pd/Cu(111) is that this system has a higher capacity to promote the breaking of Csbnd H/Csbnd C bonds, which leads to the formation of carbonaceous deposits and polymers such as benzene, and thus reduces the selectivity for the ethylene formation. Meanwhile, it was found that the desorption energy of ethylene on these two surfaces was smaller than the energy barrier of further hydrogenation, which results in the absence of ethane on these two systems. Micro-kinetic model analysis provides a further valuable insight into the evidence for the key factors controlling the catalytic activity and selectivity towards the selective hydrogenation of acetylene. Our findings may help people to design a highly selective hydrogenation catalyst by controlling the balance between the H2 dissociation and

Sorption Enhanced Reaction Process (SERP) for production of hydrogen

Energy Technology Data Exchange (ETDEWEB)

Anand, M.; Hufton, J.; Mayorga, S. [Air Products and Chemicals, Inc., Allentown, PA (United States)] [and others

1996-10-01

Sorption Enhanced Reaction Process (SERP) is a novel process that is being developed for the production of lower cost hydrogen by steam-methane reforming (SMR). In this process the reaction of methane with steam is carried out in the presence of an admixture of a catalyst and a selective adsorbent for carbon dioxide. The key consequences of SERP are: (i) reformation reaction is carried out at a significantly lower temperature (300-500{degrees}C) than that in a conventional SMR reactor (800-1100{degrees}C), while achieving the same conversion of methane to hydrogen, (ii) the product hydrogen is obtained at reactor pressure (200-400 psig) and at 98+% purity directly from the reactor (compared to only 70-75% H{sub 2} from conventional SMR reactor), (iii) downstream hydrogen purification step is either eliminated or significantly reduced in size. The first phase of the program has focused on the development of a sorbent for CO{sub 2} which has (a) reversible CO{sub 2} capacity >0.3 mmol/g at low partial pressures of CO{sub 2} (0.1 - 1.0 atm) in the presence of excess steam (pH{sub 2}O/pCO{sub 2}>20) at 400-500{degrees}C and (b) fast sorption-desorption kinetics for CO{sub 2}, at 400-500{degrees}C. Several families of supported sorbents have been identified that meet the target CO{sub 2} capacity. A few of these sorbents have been tested under repeated sorption/desorption cycles and extended exposure to high pressure steam at 400-500{degrees}C. One sorbent has been scaled up to larger quantities (2-3 kg) and tested in the laboratory process equipment for sorption and desorption kinetics of CO{sub 2}. The CO{sub 2}, sorption and desorption kinetics are desirably fast. This was a critical path item for the first phase of the program and now has been successfully demonstrated. A reactor has been designed that will allow nearly isothermal operation for SERP-SMR. This reactor was integrated into an overall process flow diagram for the SERP-SMR process.

Design and integration of a hydrogen storage on metallic hydrides

International Nuclear Information System (INIS)

Botzung, M.

2008-01-01

This work presents a hydrogen storage system using metal hydrides for a Combined Heat and Power (CHP) system. Hydride storage technology has been chosen due to project specifications: high volumetric capacity, low pressures (≤ 3.5 bar) and low temperatures (≤ 75 C: fuel cell temperature). During absorption, heat from hydride generation is dissipated by fluid circulation. An integrated plate-fin type heat exchanger has been designed to obtain good compactness and to reach high absorption/desorption rates. At first, the storage system has been tested in accordance with project specifications (absorption 3.5 bar, desorption 1.5 bar). Then, the hydrogen charge/discharge times have been decreased to reach system limits. System design has been used to simulate thermal and mass comportment of the storage tank. The model is based on the software Fluent. We take in consideration heat and mass transfers in the porous media during absorption/desorption. The hydride thermal and mass behaviour has been integrated in the software. The heat and mass transfers experimentally obtained have been compared to results calculated by the model. The influence of experimental and numerical parameters on the model behaviour has also been explored. (author) [fr

Catalyst support effects on hydrogen spillover

Science.gov (United States)

Karim, Waiz; Spreafico, Clelia; Kleibert, Armin; Gobrecht, Jens; Vandevondele, Joost; Ekinci, Yasin; van Bokhoven, Jeroen A.

2017-01-01

Hydrogen spillover is the surface migration of activated hydrogen atoms from a metal catalyst particle, on which they are generated, onto the catalyst support. The phenomenon has been much studied and its occurrence on reducible supports such as titanium oxide is established, yet questions remain about whether hydrogen spillover can take place on nonreducible supports such as aluminium oxide. Here we use the enhanced precision of top-down nanofabrication to prepare controlled and precisely tunable model systems that allow us to quantify the efficiency and spatial extent of hydrogen spillover on both reducible and nonreducible supports. We place multiple pairs of iron oxide and platinum nanoparticles on titanium oxide and aluminium oxide supports, varying the distance between the pairs from zero to 45 nanometres with a precision of one nanometre. We then observe the extent of the reduction of the iron oxide particles by hydrogen atoms generated on the platinum using single-particle in situ X-ray absorption spectromicroscopy applied simultaneously to all particle pairs. The data, in conjunction with density functional theory calculations, reveal fast hydrogen spillover on titanium oxide that reduces remote iron oxide nanoparticles via coupled proton-electron transfer. In contrast, spillover on aluminium oxide is mediated by three-coordinated aluminium centres that also interact with water and that give rise to hydrogen mobility competing with hydrogen desorption; this results in hydrogen spillover about ten orders of magnitude slower than on titanium oxide and restricted to very short distances from the platinum particle. We anticipate that these observations will improve our understanding of hydrogen storage and catalytic reactions involving hydrogen, and that our approach to creating and probing model catalyst systems will provide opportunities for studying the origin of synergistic effects in supported catalysts that combine multiple functionalities.

Studies on adsorption-desorption of xenon on surface of BC-404 plastic scintillator based on soaking method

Energy Technology Data Exchange (ETDEWEB)

Yongchun, Xiang [Institute of Nuclear Physics and Chemistry, China and Academy of Engineer Physics, Mianyang 621900 (China); School of Physics, Peking University, Beijing 100080 (China); Tieshuan, Fan [School of Physics, Peking University, Beijing 100080 (China); Chuanfei, Zhang; Fei, Luo; Qian, Wang; Rende, Ze [Institute of Nuclear Physics and Chemistry, China and Academy of Engineer Physics, Mianyang 621900 (China); Qingpei, Xiang, E-mail: xiangqingpei@163.com [Institute of Nuclear Physics and Chemistry, China and Academy of Engineer Physics, Mianyang 621900 (China)

2017-03-01

The phoswich coincidence detector is used to verify the CTBT treaty by measuring radioxenon and as such needs to possess high detection sensitivity. However, residual xenon adsorbed onto the surface of β detectors greatly influences subsequent measurements of weak samples. In this study, we investigate the adsorption-desorption behavior of xenon on BC-404 scintillator surfaces with different coating thicknesses using the soaking method. The results present the desorption behavior of xenon on a BC-404 surface for the first time. The calculated adsorption capacity for an uncoated surface is consistent with that from previous studies. However, due to factors such as limitations in coating technology, the effectiveness of coating on reducing the “memory effect” of the detector was poor. The proposed method is suitable for studying the adsorption-desorption behavior of gases on solid surfaces due to its simplicity and flexibility. - Highlights: • We investigate the adsorption-desorption of xenon on coated BC-404 surfaces. • The calculated adsorption capacity on an uncoated surface agrees with other results. • The method can be used to simulate xenon adsorption in phoswich detectors.

New Transition metal assisted complex borohydrides for hydrogen storage

International Nuclear Information System (INIS)

Sesha Srinivasan; Elias Lee Stefanakos; Yogi Goswami

2006-01-01

High capacity hydrogen storage systems are indeed essential for the on-board vehicular application that leads to the pollution free environment. Apart from the various hydrogen storage systems explored in the past, complex hydrides involving light weight alkali/alkaline metals exhibits promising hydrogenation/ dehydrogenation characteristics. New transition metal assisted complex borohydrides [Zn(BH 4 ) 2 ] have been successfully synthesized by an inexpensive mechano-chemical process. These complex hydrides possesses gravimetric hydrogen storage capacity of ∼8.4 wt.% at around 120 C. We have determined the volumetric hydrogen absorption and desorption of these materials for a number of cycles. Another complex borohydride mixture LiBH 4 /MgH 2 catalyzed with ZnCl 2 has been synthesized and characterized using various analytical techniques. (authors)

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....

Hydrogen storage in Mg: a most promising material

International Nuclear Information System (INIS)

Jain, I.P.; Jain, A.; Lal, C.

2009-01-01

hydrides stand as promising candidate for competitive hydrogen storage with reversible hydrogen capacity up to 7.6 wt% for on board applications. Efforts have been devoted to these materials to decrease their desorption temperature, enhance the kinetics and cycle life. The kinetics has been improved by adding an appropriate catalyst into the system as well as by ball milling that introduces defects with improved surface properties. The studies reported promising results, such as improved kinetics and lower desorption temperatures, however, the state of the art materials are still far from meeting the aimed target for their transport applications. Therefore further research work is needed to achieve the goal by improving development on hydrogenation, thermal and cyclic behavior of metal hydrides. In the present article the possibility of commercialization of Mg based alloys has been discussed. (author)

Reaction dynamics of molecular hydrogen on silicon surfaces

DEFF Research Database (Denmark)

Bratu, P.; Brenig, W.; Gross, A.

1996-01-01

of the preexponential factor by about one order of magnitude per lateral degree of freedom. Molecular vibrations have practically no effect on the adsorption/desorption dynamics itself, but lead to vibrational heating in desorption with a strong isotope effect. Ab initio calculations for the H-2 interaction...... between the two surfaces. These results indicate that tunneling, molecular vibrations, and the structural details of the surface play only a minor role for the adsorption dynamics. Instead, they appear to be governed by the localized H-Si bonding and Si-Si lattice vibrations. Theoretically, an effective......Experimental and theoretical results on the dynamics of dissociative adsorption and recombinative desorption of hydrogen on silicon are presented. Using optical second-harmonic generation, extremely small sticking probabilities in the range 10(-9)-10(-5) could be measured for H-2 and D-2 on Si(111...

Nanocrystalline NdFeB magnet prepared by mechanically activated disproportionation and desorption-recombination in-situ sintering

Energy Technology Data Exchange (ETDEWEB)

Xiaoya, Liu; Yuping, Li [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Lianxi, Hu, E-mail: hulx@hit.edu.cn [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)

2013-03-15

The process of mechanically activated disproportionation and desorption-recombination in-situ sintering was proposed to synthesize highly densified nanocrystalline NdFeB magnet, and its validity was demonstrated by experimental investigation with the use of a Nd{sub 16}Fe{sub 76}B{sub 8} (atomic ratio) alloy. Firstly, the as-cast alloy was disproportionated by mechanical milling in hydrogen, with the starting micron-sized Nd{sub 2}Fe{sub 14}B phase decomposed into an intimate mixture of nano-structured NdH{sub 2.7}, Fe{sub 2}B and {alpha}-Fe phases. The as-disproportionated alloy powders were compacted by cold pressing and then subjected to desorption-recombination in-situ sintering. The microstructure of both the as-disproportionated and the subsequently sintered samples was characterized by X-ray diffraction and electron transmission microscopy, respectively. The magnetic properties of the sintered samples were measured by using vibrating sample magnetometer. The results showed that, by vacuum sintering, not only was the powder compact consolidated, but also the as-disproportionated microstucture transformed into nanocrystalline Nd{sub 2}Fe{sub 14}B phase via the well-known desorption-recombination reaction, thus giving rise to nanocrystalline NdFeB magnet. In the present study, the optimal sintering parameters were found to be 780 Degree-Sign C Multiplication-Sign 30 min. In this case, the coercivity, the remanence, and maximum energy product of the magnet sample achieved 0.8 T, 635.3 kA/m, and 106.3 kJ/m{sup 3}, respectively. - Highlights: Black-Right-Pointing-Pointer Nano-structured disproportionated NdFeB alloy powders by mechanical milling in hydrogen. Black-Right-Pointing-Pointer Highly densified green magnet compact by cold pressing of as-disproportionated NdFeB alloy powders. Black-Right-Pointing-Pointer Nanocrystalline NdFeB magnets by desorption-recombination in-situ sintering under vacuum. Black-Right-Pointing-Pointer Magnetic properties significantly

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.

Mechanism of calcium oxide excitation by atom hydrogen

International Nuclear Information System (INIS)

Kharlamov, V.F.

1991-01-01

Heterogeneous recombination of hydrogen atoms on the surface of calcium oxide proceeds according to the Langmuir-Hinshelwood mechanism with participation of atoms in two different states, belonging to adsorption centres of the same type. CaO excitation is broughty about by vibration-electron transitions during associative desorption of H 2 molecules

Study of hydrogenation of Sm{sub 2}Fe{sub 17-y}Ga{sub y} by means of X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Teresiak, A.; Uhlemann, M.; Kubis, M.; Gebel, B.; Mattern, N.; Mueller, K.-H. [Institut fuer Festkoerper- und Werkstofforschung Dresden e.V. (Germany)

2000-06-06

The hydrogenation process of Sm{sub 2}Fe{sub 17-y}Ga{sub y}(y=0-2) was studied. X-ray investigations show a decreasing hydrogen solubility in the intermetallic alloy with increasing Ga-content from 4.0{+-}0.3 atoms per formula unit for Sm{sub 2}Fe{sub 17} to 2.85{+-}0.05 for Sm{sub 2}Fe{sub 15}Ga{sub 2}. The larger Ga atoms reduce the size of the interstitial sites and thereby the maximum hydrogen concentration is decreased. The behaviour of the lattice parameters a and c with increasing Ga content points to a changed hydrogen distribution on the interstitial sites, becoming more statistical. In situ observations by means of high temperature X-ray diffraction show that the hydrogen absorption process is diffusion controlled. The hydrogen absorption starts at an annealing temperature of 120-140 C in all cases. The solubility of hydrogen decreases with increasing temperature. The hydrogen is completely desorbed above 350 C in all cases. The absorption/desorption process is reversible between room temperature and 400 C. Annealing at temperatures above 400 C leads to the decomposition of the Sm{sub 2}Fe{sub 17} phase, indicated by emerging of {alpha}-Fe. The formation of SmH{sub x} is established at 600 C. The decomposition temperature increases with increasing Ga-content. Up to 750 C, only Sm{sub 2}Fe{sub 17} is completely decomposed. (orig.)

Stability of MOF-5 in a hydrogen gas environment containing fueling station impurities

DEFF Research Database (Denmark)

Ming, Yang; Purewal, Justin; Yang, Jun

2016-01-01

, HCl, H2O, CO, CO2, CH4, O2, N2, and He) to pure hydrogen gas. Subsequently, MOF-5 was exposed to these mixtures over hundreds of adsorption/desorption pressure-swing cycles and for extended periods of static exposure. The impact of exposure was assessed by periodically measuring the hydrogen storage...... of these contaminants on MOFs is mostly unknown. In the present study MOF-5 is adopted as a prototypical moisture-sensitive hydrogen storage material. Five “impure” gas mixtures were prepared by introducing low-to-moderate levels (i.e., up to ∼200 times greater than the J2719 limit) of selected contaminants (NH3, H2S...

Visualization of hydrogen in steels by secondary ion mass spectrometry

International Nuclear Information System (INIS)

Takai, Kenichi

2000-01-01

Secondary ion mass spectrometry (SIMS) enables us to visualize hydrogen trapping sites in steels. Information about the hydrogen trapping sites in high-strength steels by SIMS is very important to discuss environmental embrittlement mechanism for developing steels with a high resistance to the environmental embrittlement. Secondary ion image analysis by SIMS has made possible to visualize the hydrogen and deuterium trapping sites in the steels. Hydrogen in tempered martensite steels containing Ca tends to accumulate on inclusions, at grain boundaries, and in segregation bands. Visualization of hydrogen desorption process by secondary ion image analysis confirms that the bonding between the inclusions and the hydrogen is strong. Cold-drawn pearlite steels trap hydrogen along cold-drawing direction. Pearlite phase absorbs the hydrogen more than ferrite phase does. This article introduces the principle of SIMS, its feature, analysis method, and results of hydrogen visualization in steels. (author)

Hydrogen energy systems studies

Energy Technology Data Exchange (ETDEWEB)

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

1995-09-01

For several years, researchers at Princeton University`s Center for Energy and Environmental Studies have carried out technical and economic assessments of hydrogen energy systems. Initially, we focussed on the long term potential of renewable hydrogen. More recently we have explored how a transition to renewable hydrogen might begin. The goal of our current work is to identify promising strategies leading from near term hydrogen markets and technologies toward eventual large scale use of renewable hydrogen as an energy carrier. Our approach has been to assess the entire hydrogen energy system from production through end-use considering technical performance, economics, infrastructure and environmental issues. This work is part of the systems analysis activity of the DOE Hydrogen Program. In this paper we first summarize the results of three tasks which were completed during the past year under NREL Contract No. XR-11265-2: in Task 1, we carried out assessments of near term options for supplying hydrogen transportation fuel from natural gas; in Task 2, we assessed the feasibility of using the existing natural gas system with hydrogen and hydrogen blends; and in Task 3, we carried out a study of PEM fuel cells for residential cogeneration applications, a market which might have less stringent cost requirements than transportation. We then give preliminary results for two other tasks which are ongoing under DOE Contract No. DE-FG04-94AL85803: In Task 1 we are assessing the technical options for low cost small scale production of hydrogen from natural gas, considering (a) steam reforming, (b) partial oxidation and (c) autothermal reforming, and in Task 2 we are assessing potential markets for hydrogen in Southern California.

Processing routes evaluation of severely deformed Mg-Fe alloys for hydrogen storage applications

International Nuclear Information System (INIS)

Antiqueira, F.J.; Leiva, D.R.; Ishikawa, T.T.; Jorge Junior, A.M.; Botta, W.J.

2016-01-01

MgH 2 is considered an interesting material for safe hydrogen storage in the solid state, due to its high gravimetric nominal capacity of 7,6%, and the relative low cost of magnesium. In this study, we attempted to improve the performance of the MgH 2 in the hydrogen storage. Different processing routes for Mg and Mg-Fe by severe plastic deformation were evaluated. The prepared materials were characterized by X-ray diffraction (XRD), scanning (SEM) and transmission electron microscopy (TEM). The hydrogen storage properties were evaluated by differential scanning calorimetry and the Sievert's method. The results indicate superior properties to materials catalyzed with iron, as well as a high dependence of hydrogen absorption / desorption kinetic in accordance with the microstructures obtained through the various processing routes. (author)

Revisiting the Hydrogen Storage Behavior of the Na-O-H System

Directory of Open Access Journals (Sweden)

Jianfeng Mao

2015-04-01

Full Text Available Solid-state reactions between sodium hydride and sodium hydroxide are unusual among hydride-hydroxide systems since hydrogen can be stored reversibly. In order to understand the relationship between hydrogen uptake/release properties and phase/structure evolution, the dehydrogenation and hydrogenation behavior of the Na-O-H system has been investigated in detail both ex- and in-situ. Simultaneous thermogravimetric-differential thermal analysis coupled to mass spectrometry (TG-DTA-MS experiments of NaH-NaOH composites reveal two principal features: Firstly, an H2 desorption event occurring between 240 and 380 °C and secondly an additional endothermic process at around 170 °C with no associated weight change. In-situ high-resolution synchrotron powder X-ray diffraction showed that NaOH appears to form a solid solution with NaH yielding a new cubic complex hydride phase below 200 °C. The Na-H-OH phase persists up to the maximum temperature of the in-situ diffraction experiment shortly before dehydrogenation occurs. The present work suggests that not only is the inter-phase synergic interaction of protic hydrogen (in NaOH and hydridic hydrogen (in NaH important in the dehydrogenation mechanism, but that also an intra-phase Hδ+… Hδ– interaction may be a crucial step in the desorption process.

Mechanism of the electrochemical hydrogen reaction on smooth tungsten carbide and tungsten electrodes

International Nuclear Information System (INIS)

Wiesener, K.; Winkler, E.; Schneider, W.

1985-01-01

The course of the electrochemical hydrogen reaction on smooth tungsten-carbide electrodes in hydrogen saturated 2.25 M H 2 SO 4 follows a electrochemical sorption-desorption mechanism in the potential range of -0.4 to +0.1 V. At potentials greater than +0.1 V the hydrogen oxidation is controlled by a preliminary chemical sorption step. Concluding from the similar behaviour of tungsten-carbide and tungsten electrodes after cathodic pretreatment, different tungsten oxides should be involved in the course of the hydrogen reaction on tungsten carbide electrodes. (author)

Cs-137 sorption and desorption in relation to properties of 17 soils

International Nuclear Information System (INIS)

Kerpen, W.

1988-01-01

For Cs-137 sorption and desorption studies material of Ap and Ah horizons from 17 soils with wide varying soil properties was selected. The soils were: Podsol, Luvisol, Chernozem, Cambisol, Phaeozem, Arenosol, Gleysol and other soils. The Cs-137 sorption and desorption experiments were carried out in aqueous solution (20 g of soil) under standardized conditions for two reasons: (1) to determine the amounts of Cs-137 sorption, desorption and remains as a function of different soils and (2) to evaluate the soil parameters which govern the sorption, desorption processes. Concerning the second point the sorption values, the amount of 137 Cs desorbed within four desorption cycles and the 137 Cs remains after four desorption cycles were correlated with pH, grain size, sorption capacity (CEC), and other soil properties. It will be shown that generally Cs-137 sorption, desorption and remains depend primarily on the pH of the soil. The middle sand proved to be an indicator for the strenght of sorption, and desorption processes. Sorption and desorption studies lead to the same results as found in biotest experiments

Controlling hydrogenation activity and selectivity of bimetallic surfaces and catalysts

Science.gov (United States)

Murillo, Luis E.

Studies of bimetallic systems are of great interest in catalysis due to the novel properties that they often show in comparison with the parent metals. The goals of this dissertation are: (1) to expand the studies of self-hydrogenation and hydrogenation reactions on bimetallic surfaces under ultra high vacuum conditions (UHV) using different hydrocarbon as probe molecules; (2) to attempt to correlate the surface science findings with supported catalyst studies under more realistic conditions; and (3) to investigate the competitive hydrogenation of C=C versus C=O bonds on Pt(111) modified by different 3d transition metals. Hydrogenation studies using temperature programmed desorption (TPD) on Ni/Pt(111) bimetallic surfaces have demonstrated an enhancement in the low temperature hydrogenation activity relative to that of clean Pt(111). This novel hydrogenation pathway can be achieved under UHV conditions by controlling the structures of the bimetallic surfaces. A low temperature hydrogenation activity of 1-hexene and 1-butene has been observed on a Pt-Ni-Pt(111) subsurface structure, where Ni atoms are mainly present on the second layer of the Pt(111) single crystal. These results are in agreement with previous studies of self-hydrogenation and hydrogenation of cyclohexene. However, a much higher dehydrogenation activity is observed in the reaction of cyclohexene to produce benzene, demonstrating that the hydrocarbon structure has an effect on the reaction pathways. On the other hand, self-hydrogenation of 1-butene is not observed on the Pt-Ni-Pt(111) surface, indicating that the chain length (or molecular weight) has a significant effect on the selfhydrogenation activity. The gas phase reaction of cyclohexene on Ni/Pt supported on alumina catalysts has also shown a higher self-hydrogenation activity in comparison with the same reaction performed on supported monometallic catalysts. The effects of metal loading and impregnation sequence of the metal precursors are

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)

The TiCl{sub 3} catalyst in NaAlH{sub 4} for hydrogen storage induces grain refinement and impacts on hydrogen vacancy formation

Energy Technology Data Exchange (ETDEWEB)

Singh, S.; Eijt, S.W.H. [Fundamental Aspects of Materials and Energy, Department of Radiation, Radionuclides and Reactors, Faculty of Applied Sciences, Delft University of Technology, Delft (Netherlands); Huot, J. [Universite du Quebec a Trois Rivieres, Quebec (Canada); Kockelmann, W.A. [ISIS, Rutherford Appleton Laboratory, Chilton, Oxfordshire (United Kingdom); Wagemaker, M. [Fundamental Aspects of Materials and Energy, Department of Radiation, Radionuclides and Reactors, Faculty of Applied Sciences, Delft University of Technology, Delft (Netherlands); Mulder, F.M. [Fundamental Aspects of Materials and Energy, Department of Radiation, Radionuclides and Reactors, Faculty of Applied Sciences, Delft University of Technology, Delft (Netherlands)], E-mail: f.m.mulder@tudelft.nl

2007-09-15

TiCl{sub 3} acts as an efficient catalyst for NaAlH{sub 4} (sodium alanate), altering its hydrogen sorption kinetics and reversibility considerably. In order to clarify its role, we performed in situ neutron diffraction experiments on protonated catalysed and uncatalysed NaAlH{sub 4}. The phase transformations were monitored in the first two reaction steps during hydrogen release and in the second step during reloading. Our study for the first time provides clear indications that both Ti{sub x}Al{sub 1-x} and NaCl formed act as grain refiner for Al and NaH, respectively, preventing particle growth. Particle sizes generally stay small upon desorption and reloading of TiCl{sub 3} catalysed NaAlH{sub 4}, while significant particle growth is observed for uncatalysed NaAlH{sub 4}. The small crystallite sizes and observed hydrogen vacancy formation greatly facilitate the mass transfer during loading and unloading. This study underlines the importance of grain refining for achieving reversibility and faster kinetics of the hydrogen sorption processes, with a crucial double role played by the catalyst.

Hydrogen storage by physisorption on porous materials

Energy Technology Data Exchange (ETDEWEB)

Panella, B

2006-09-13

A great challenge for commercializing hydrogen powered vehicles is on-board hydrogen storage using economic and secure systems. A possible solution is hydrogen storage in light-weight solid materials. Here three principle storage mechanisms can be distinguished: i) absorption of hydrogen in metals ii) formation of compounds with ionic character, like complex hydrides and iii) physisorption (or physical adsorption) of hydrogen molecules on porous materials. Physical adsorption exhibits several advantages over chemical hydrogen storage as for example the complete reversibility and the fast kinetics. Two classes of porous materials were investigated for physical hydrogen storage, i.e. different carbon nanostructures and crystalline metal-organic frameworks possessing extremely high specific surface area. Hydrogen adsorption isotherms were measured using a Sieverts' apparatus both at room temperature and at 77 K at pressures up to the saturation regime. Additionally, the adsorption sites of hydrogen in these porous materials were identified using thermal desorption spectroscopy extended to very low temperatures (down to 20 K). Furthermore, the adsorbed hydrogen phase was studied in various materials using Raman spectroscopy at different pressures and temperatures. The results show that the maximum hydrogen storage capacity of porous materials correlates linearly with the specific surface area and is independent of structure and composition. In addition the pore structure of the adsorbent plays an important role for hydrogen storage since the adsorption sites for H2 could be assigned to pores possessing different dimensions. Accordingly it was shown that small pores are necessary to reach high storage capacities already at low pressures. This new understanding may help to tailor and optimize new porous materials for hydrogen storage. (orig.)

Hydrogen storage by physisorption on porous materials

Energy Technology Data Exchange (ETDEWEB)

Panella, B.

2006-09-13

A great challenge for commercializing hydrogen powered vehicles is on-board hydrogen storage using economic and secure systems. A possible solution is hydrogen storage in light-weight solid materials. Here three principle storage mechanisms can be distinguished: i) absorption of hydrogen in metals ii) formation of compounds with ionic character, like complex hydrides and iii) physisorption (or physical adsorption) of hydrogen molecules on porous materials. Physical adsorption exhibits several advantages over chemical hydrogen storage as for example the complete reversibility and the fast kinetics. Two classes of porous materials were investigated for physical hydrogen storage, i.e. different carbon nanostructures and crystalline metal-organic frameworks possessing extremely high specific surface area. Hydrogen adsorption isotherms were measured using a Sieverts' apparatus both at room temperature and at 77 K at pressures up to the saturation regime. Additionally, the adsorption sites of hydrogen in these porous materials were identified using thermal desorption spectroscopy extended to very low temperatures (down to 20 K). Furthermore, the adsorbed hydrogen phase was studied in various materials using Raman spectroscopy at different pressures and temperatures. The results show that the maximum hydrogen storage capacity of porous materials correlates linearly with the specific surface area and is independent of structure and composition. In addition the pore structure of the adsorbent plays an important role for hydrogen storage since the adsorption sites for H2 could be assigned to pores possessing different dimensions. Accordingly it was shown that small pores are necessary to reach high storage capacities already at low pressures. This new understanding may help to tailor and optimize new porous materials for hydrogen storage. (orig.)

Hydrogen energy systems studies

Energy Technology Data Exchange (ETDEWEB)

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

1996-10-01

In this report the authors describe results from technical and economic assessments carried out during the past year with support from the USDOE Hydrogen R&D Program. (1) Assessment of technologies for small scale production of hydrogen from natural gas. Because of the cost and logistics of transporting and storing hydrogen, it may be preferable to produce hydrogen at the point of use from more readily available energy carriers such as natural gas or electricity. In this task the authors assess near term technologies for producing hydrogen from natural gas at small scale including steam reforming, partial oxidation and autothermal reforming. (2) Case study of developing a hydrogen vehicle refueling infrastructure in Southern California. Many analysts suggest that the first widespread use of hydrogen energy is likely to be in zero emission vehicles in Southern California. Several hundred thousand zero emission automobiles are projected for the Los Angeles Basin alone by 2010, if mandated levels are implemented. Assuming that hydrogen vehicles capture a significant fraction of this market, a large demand for hydrogen fuel could evolve over the next few decades. Refueling a large number of hydrogen vehicles poses significant challenges. In this task the authors assess near term options for producing and delivering gaseous hydrogen transportation fuel to users in Southern California including: (1) hydrogen produced from natural gas in a large, centralized steam reforming plant, and delivered to refueling stations via liquid hydrogen truck or small scale hydrogen gas pipeline, (2) hydrogen produced at the refueling station via small scale steam reforming of natural gas, (3) hydrogen produced via small scale electrolysis at the refueling station, and (4) hydrogen from low cost chemical industry sources (e.g. excess capacity in refineries which have recently upgraded their hydrogen production capacity, etc.).

Enhanced hydrogen reaction kinetics of nanostructured Mg-based composites with nanoparticle metal catalysts dispersed on supports

International Nuclear Information System (INIS)

Yoo, Yeong; Tuck, Mark; Kondakindi, Rajender; Seo, Chan-Yeol; Dehouche, Zahir; Belkacemi, Khaled

2007-01-01

Hydrogen reaction kinetics of nanocrystalline MgH 2 co-catalyzed with Ba 3 (Ca 1+x Nb 2-x )O 9-δ (BCN) proton conductive ceramics and nanoparticle bimetallic catalyst of Ni/Pd dispersed on single wall carbon nanotubes (SWNTs) support has been investigated. The nanoparticle bimetallic catalysts of Ni/Pd supported by SWNTs were synthesized based on a novel polyol method using NiCl 2 .6H 2 O, PdCl 2 , NaOH and ethylene glycol (EG). The nanostructured Mg composites co-catalyzed with BCN and bimetallic supported catalysts exhibited stable hydrogen desorption capacity of 6.3-6.7 wt.% H 2 and the significant enhancement of hydrogen desorption kinetics at 230-300 deg. C in comparison to either non-catalyzed MgH 2 or the nanocomposite of MgH 2 catalyzed with BCN

A new ternary magnesium-titanium hydride Mg{sub 7}TiH{sub x} with hydrogen desorption properties better than both binary magnesium and titanium hydrides

Energy Technology Data Exchange (ETDEWEB)

Kyoi, Daisuke; Sato, Toyoto; Roennebro, Ewa; Kitamura, Naoyuki; Ueda, Atsushi; Ito, Mikio; Katsuyama, Shigeru; Hara, Shigeta; Noreus, Dag; Sakai, Tetsuo

2004-06-09

A magnesium based titanium doped hydride was prepared in a high-pressure anvil cell by reacting a mixture of MgH{sub 2} and TiH{sub 1.9} at 8 GPa and 873 K. The metal structure has a Ca{sub 7}Ge type structure (a=9.532(2) A, space group Fm3-barm (no. 225), Z=4, V=866.06 A{sup 3}). The refined metal atom composition Mg{sub 7}Ti was almost in line with EDS analysis. This means that the new magnesium-titanium hydride has a structure that is more related to TiH{sub 1.9} than to MgH{sub 2}. The thermal properties of the new compound were also studied by TPD analysis. The new hydride, Mg{sub 7}TiH{sub x} exhibits 5.5 mass% (x{approx}12.7) and decomposes into Mg and TiH{sub 1.9} upon releasing 4.7 mass% of hydrogen around 605 K, that is at a 130 and 220 K lower desorption temperature compared to MgH{sub 2} and TiH{sub 1.9}, respectively.

Structure and hydrogen storage properties of the hexagonal Laves phase Sc(Al{sub 1-x}Ni{sub x}){sub 2}

Energy Technology Data Exchange (ETDEWEB)

Sahlberg, Martin, E-mail: Martin.sahlberg@kemi.uu.se [Department of Chemistry, The Angstroem Laboratory, Uppsala University, Box 538, SE-751 21 Uppsala (Sweden); Angstroem, Jonas, E-mail: jonas.angstrom@kemi.uu.se [Department of Chemistry, The Angstroem Laboratory, Uppsala University, Box 538, SE-751 21 Uppsala (Sweden); Zlotea, Claudia, E-mail: claudia.zlotea@icmpe.cnrs.fr [Chimie Metallurgique des Terres Rares, Institut de Chimie et des Materiaux de Paris Est, UMR 7182, CNRS, 2-8 rue Henri Dunant, 94320 Thiais Cedex (France); Beran, Premysl, E-mail: pberan@ujf.cas.cz [Nuclear Physics Institute, Academy of Sciences of the Czech Republic, 25068 Rez (Czech Republic); Latroche, Michel, E-mail: michel.latroche@glvt-cnrs.fr [Chimie Metallurgique des Terres Rares, Institut de Chimie et des Materiaux de Paris Est, UMR 7182, CNRS, 2-8 rue Henri Dunant, 94320 Thiais Cedex (France); Pay Gomez, Cesar, E-mail: Cesar.paygomez@kemi.uu.se [Department of Chemistry, The Angstroem Laboratory, Uppsala University, Box 538, SE-751 21 Uppsala (Sweden)

2012-12-15

The crystal structures of hydrogenated and unhydrogenated Sc(Al{sub 1-x}Ni{sub x}){sub 2} Laves phases have been studied by combining several diffraction techniques and it is shown that hydrogen is situated interstitially in the A{sub 2}B{sub 2}-sites, which have the maximum number of scandium neighbours. The hydrogen absorption/desorption behaviour has also been investigated. It is shown that a solid solution of hydrogen forms in the mother compound. The hydrogen storage capacity exceeds 1.7 H/f.u. at 374 K, and the activation energy of hydrogen desorption was determined to 4.6 kJ/mol H{sub 2}. It is shown that these compounds share the same local coordination as Frank-Kasper-type approximants and quasicrystals, which opens up the possibility of finding many new hydride phases with these types of crystal structures. - Graphical abstract: The structure of ScNiAlDx, Sc atoms are shown in purple and Ni/Al atoms in blue and the iso-surfaces of deuterium in yellow. Revealed from refinements of neutron powder diffraction data. Highlights: Black-Right-Pointing-Pointer The crystal structure of ScNiAl and ScNiAlDx is reported. Black-Right-Pointing-Pointer We show the hydrogen storage properties of Sc(Al{sub 1-x}Ni{sub x}){sub 2}. Black-Right-Pointing-Pointer We discuss the possibility to store hydrogen in quasicrystals.

Carbon compound used in hydrogen storage; Compuesto de carbon utilizado en almacenamiento de hidrogeno

Energy Technology Data Exchange (ETDEWEB)

Iturbe G, J L; Lopez M, B E [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

2004-07-01

In the present work it is studied the activated carbon of mineral origin for the sorption of hydrogen. The carbon decreased of particle size by means of the one alloyed mechanical. The time of mill was of 10 hours. The characterization one carries out by scanning electron microscopy and X-ray diffraction. The hydrogen sipped in the carbon material it was determined using the Thermal gravimetric method (TGA). The conditions of hydrogenation went at 10 atm of pressure and ambient temperature during 18 hours. They were also carried out absorption/desorption cycles of hydrogen in the same one system of thermal gravimetric analysis. The results showed percentages of sorption of 2% approximately in the cycles carried out in the system TGA and of 4.5% in weight of hydrogen at pressure of 10 atmospheres and ambient temperature during 18 hours. (Author)

Extraction and determination of hydrogen in uranium and zirconium; Extraction et dosage de l'hydrogene dans l'uranium et le zirconium

Energy Technology Data Exchange (ETDEWEB)

Champeix, L; Coblence, G; Darras, R [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

1959-07-01

The method of desorption under vacuum at high temperatures in the solid phase, which gives good results in the case of steels, has been applied to uranium and zirconium. In these two metals hydrogen is found mainly in the form of hydride. It is chiefly a question of determining the most suitable temperature and the heating time necessary to obtain an almost total extraction of hydrogen. Two considerations must be taken into account in the choice of temperature. It should be such that on the one hand the hydride decomposes rapidly and completely at the reduced pressure applied, and on the other hand the diffusion of hydrogen through the metal takes place fairly quickly. The apparatus and the method used are described; systematic tests have led to the adoption of temperatures of 650 deg. C for uranium and 1050 deg. C for zirconium. (author) [French] La methode de desorption sous vide a chaud en phase solide, methode qui donne de bons resultats dans le cas des aciers, a ete appliquee a l'uranium et au zirconium. Dans ces deux metaux, l'hydrogene se trouve surtout a l'etat d'hydrure. Il s'agit essentiellement de determiner la temperature optimum et la duree du chauffage necessaire pour obtenir une extraction d'hydrogene pratiquement complete. Deux considerations interviennent dans le choix de la temperature. Elle doit etre telle que, d'une part la decomposition de l'hydrure se fasse rapidement et completement sous la pression reduite realisee et d'autre part que la diffusion de l'hydrogene a travers le metal soit assez rapide. L'appareil et le mode operatoire utilises sont decrits des essais systematiques ont conduit a adopter une temperature de 650 deg. C pour l'uranium et de 1050 deg. C pour le zirconium. (auteur)

A DFT study and micro-kinetic analysis of acetylene selective hydrogenation on Pd-doped Cu(111) surfaces

Energy Technology Data Exchange (ETDEWEB)

Ma, Ling-Ling [Department of Chemistry, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) and Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Nankai University, Tianjin 300071 (China); Lv, Cun-Qin, E-mail: lcq173@126.com [College of Chemistry and Environmental Engineering, Shanxi Datong University, Datong 037009, Shanxi Province (China); Wang, Gui-Chang, E-mail: wangguichang@nankai.edu.cn [Department of Chemistry, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) and Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Nankai University, Tianjin 300071 (China)

2017-07-15

Semi-hydrogenation of acetylene in a hydrogen-rich stream is an industrially important process. Inspired by the recent experiments that Cu(111) surface doped by a small number of Pd atoms can exhibit excellent catalytic performance toward the dissociation of H{sub 2} molecule as well as the high selective hydrogenation of acetylene as compared with pure Cu and Pd metal alone at low-temperature, here we performed systematic first-principles calculations to investigate the corresponding reaction mechanism related to the acetylene hydrogenation processes on single atom alloys (SAAs) and monolayer Pd/Cu(111) (i.e.,1.00 ML Pd/Cu(111)) model catalysts in detail, and to explore the possible factors controlling the high selectivity on SAAs. Our results clearly demonstrate that the SAA catalyst has higher selectivity for the ethylene formation than that of 1.00 ML Pd/Cu(111), and lower activity for the acetylene conversion compared with that of 1.00 ML Pd/Cu(111). The relatively high selectivity on SAA is mainly due to the facile desorption of ethylene and moderate activity in the dissociation of molecular H{sub 2}. The main factor which lowers the selectivity towards the ethylene formation on 1.00 ML Pd/Cu(111) is that this system has a higher capacity to promote the breaking of C−H/C−C bonds, which leads to the formation of carbonaceous deposits and polymers such as benzene, and thus reduces the selectivity for the ethylene formation. Meanwhile, it was found that the desorption energy of ethylene on these two surfaces was smaller than the energy barrier of further hydrogenation, which results in the absence of ethane on these two systems. Micro-kinetic model analysis provides a further valuable insight into the evidence for the key factors controlling the catalytic activity and selectivity towards the selective hydrogenation of acetylene. Our findings may help people to design a highly selective hydrogenation catalyst by controlling the balance between the H{sub 2

Study of Supported Nickel Catalysts Prepared by Aqueous Hydrazine Method. Hydrogenating Properties and Hydrogen Storage: Support Effect. Silver Additive Effect; Catalyseurs de nickel supportes prepares par la methode de l'hydrazine aqueuse. Proprietes hydrogenantes et stockage d'hydrogene. Effet du support. Effet de l'ajout d'argent

Energy Technology Data Exchange (ETDEWEB)

Wojcieszak, R

2006-06-15

We have studied Ni or NiAg nano-particles obtained by the reduction of nickel salts (acetate or nitrate) by hydrazine and deposited by simple or EDTA-double impregnation on various supports ({gamma}-Al{sub 2}O{sub 3}, amorphous or crystallized SiO{sub 2}, Nb{sub 2}O{sub 5}, CeO{sub 2} and carbon). Prepared catalysts were characterized by different methods (XRD, XPS, low temperature adsorption and desorption of N{sub 2}, FTIR and FTIR-Pyridine, TEM, STEM, EDS, H{sub 2}-TPR, H{sub 2}-adsorption, H{sub 2}-TPD, isopropanol decomposition) and tested in the gas phase hydrogenation of benzene or as carbon materials in the hydrogen storage at room temperature and high pressure. The catalysts prepared exhibited better dispersion and activity than classical catalysts. TOF's of NiAg/SiO{sub 2} or Ni/carbon catalysts were similar to Pt catalysts in benzene hydrogenation. Differences in support acidity or preparation method and presence of Ag as metal additive play a crucial role in the chemical reduction of Ni by hydrazine and in the final properties of the materials. Ni/carbon catalysts could store significant amounts of hydrogen at room temperature and high pressure (0.53%/30 bars), probably through the hydrogen spillover effect. (author)

Non-thermal desorption from interstellar dust grains via exothermic surface reactions

Science.gov (United States)

Garrod, R. T.; Wakelam, V.; Herbst, E.

2007-06-01

Aims:The gas-phase abundance of methanol in dark quiescent cores in the interstellar medium cannot be explained by gas-phase chemistry. In fact, the only possible synthesis of this species appears to be production on the surfaces of dust grains followed by desorption into the gas. Yet, evaporation is inefficient for heavy molecules such as methanol at the typical temperature of 10 K. It is necessary then to consider non-thermal mechanisms for desorption. But, if such mechanisms are considered for the production of methanol, they must be considered for all surface species. Methods: Our gas-grain network of reactions has been altered by the inclusion of a non-thermal desorption mechanism in which the exothermicity of surface addition reactions is utilized to break the bond between the product species and the surface. Our estimated rate for this process derives from a simple version of classical unimolecular rate theory with a variable parameter only loosely constrained by theoretical work. Results: Our results show that the chemistry of dark clouds is altered slightly at times up to 106 yr, mainly by the enhancement in the gas-phase abundances of hydrogen-rich species such as methanol that are formed on grain surfaces. At later times, however, there is a rather strong change. Instead of the continuing accretion of most gas-phase species onto dust particles, a steady-state is reached for both gas-phase and grain-surface species, with significant abundances for the former. Nevertheless, most of the carbon is contained in an undetermined assortment of heavy surface hydrocarbons. Conclusions: The desorption mechanism discussed here will be better constrained by observational data on pre-stellar cores, where a significant accretion of species such as CO has already occurred.

Electrochemical Hydrogen Storage in a Highly Ordered Mesoporous Carbon

Directory of Open Access Journals (Sweden)

Dan eLiu

2014-10-01

Full Text Available A highly order mesoporous carbon has been synthesized through a strongly acidic, aqueous cooperative assembly route. The structure and morphology of the carbon material were investigated using TEM, SEM and nitrogen adsorption-desorption isotherms. The carbon was proven to be meso-structural and consisted of graphitic micro-domain with larger interlayer space. AC impedance and electrochemical measurements reveal that the synthesized highly ordered mesoporous carbon exhibits a promoted electrochemical hydrogen insertion process and improved capacitance and hydrogen storage stability. The meso-structure and enlarged interlayer distance within the highly ordered mesoporous carbon are suggested as possible causes for the enhancement in hydrogen storage. Both hydrogen capacity in the carbon and mass diffusion within the matrix were improved.

Hydrogen absorption-desorption properties of Ti0.32Cr0.43V0.25 alloy

International Nuclear Information System (INIS)

Cho, Sung-Wook; Shim, Gunchoo; Choi, Good-Sun; Park, Choong-Nyeon; Yoo, Jeong-Hyun; Choi, Jeon

2007-01-01

Ti 0.32 Cr 0.43 V 0.25 alloy specimens were heat treated, and its various hydrogen storage properties were measured at 303 K to examine its potential as a hydrogen storage material. The heat treatment improved not only the total and the effective hydrogen storage capacities, but also the plateau flatness. The heat of hydride formation was approximately -36 kJ/mol H 2 . The effective hydrogen storage capacity remained at approximately 2 wt% after 1000 cycles of pressure swing cyclic tests. The hydrogen storage capacity could be recovered almost to the initial state by reactivating the alloy. The hydrogen absorption rate increased with the repetition of cycling for the first several cycles and remained almost constant afterward. At the 504th cycle, more than 98% of the hydrogen was absorbed within the first 2 min. X-ray diffraction (XRD) patterns showed that the crystal structure of the alloy became more amorphous as the number of cycles increased

Acoustic emission monitoring of activation behavior of LaNi5 hydrogen storage alloy

Directory of Open Access Journals (Sweden)

Igor Maria De Rosa, Alessandro Dell'Era, Mauro Pasquali, Carlo Santulli and Fabrizio Sarasini

2011-01-01

Full Text Available The acoustic emission technique is proposed for assessing the irreversible phenomena occurring during hydrogen absorption/desorption cycling in LaNi5. In particular, we have studied, through a parametric analysis of in situ detected signals, the correlation between acoustic emission (AE parameters and the processes occurring during the activation of an intermetallic compound. Decreases in the number and amplitude of AE signals suggest that pulverization due to hydrogen loading involves progressively smaller volumes of material as the number of cycles increases. This conclusion is confirmed by electron microscopy observations and particle size distribution measurements.

Hydrogen storage materials at INCDTIM Cluj - Napoca. Achievements and outlook

International Nuclear Information System (INIS)

Lupu, D.; Biris, A.R.; Misan, I.

2005-01-01

Introducing hydrogen fuel to the transportation area poses key challenges for research on hydrogen storage materials. As one of the most promising alternative fuels for transport, hydrogen offers the long-term potential for an energy system that produces near-zero emissions and can be based on renewable energy sources. The Joint Research Centre (JRC), a Directorate-General of the European Commission fosters research for safe methods for storing hydrogen, for use in fuel cells or modified combustion engines in cars and other road vehicles. Hydrogen storage materials focused, in the last 30 years, the attention of the research programs in the many countries. Due to the fast development of the fuel cell technologies, the subject is much more stringent now. For mobile applications to fuel cell powered vehicles, on-board storage materials with hydrogen absorption/desorption capacities of at least 6.5%H are needed. For an efficient storage system the goal is to pack hydrogen as close as possible. Hydrogen storage implies the reduction of an enormous volume of H 2 gas (1 kg of gas has a volume of 11 m 3 at ambient temperature and pressure). To reach the high volumetric and gravimetric density suitable for mobile applications, basically six reversible storage methods are known today according to A. Zuettel: 1) high-pressure gas cylinders, 2) liquid in cryogenic tanks, 3) physisorbed on a solid surface e.g. carbon-nanotubes 4) metal hydrides of the metals or intermetallic compounds. 5) complex hydrides of light elements such as alanates and boranates, 6) storage via chemical reactions. Recently, the storage as hydrogen hydrates at 50 bar using promoters has been reported by F. Peetom. The paper discusses the feasibility of each of these storing alternatives. The authors presents their experience and results of the work in the field of metal hydrides and application obtained since 1975. All classes of hydrogen absorbing intermetallic compounds were studied: LaNi 5 , FeTi, Ti

Study of boric acid sorption and desorption processes

International Nuclear Information System (INIS)

Czosnowska, B.; Laren, E.

1978-01-01

The results are given of the experimental determination of the effect on the boric acid flow and sorption and desorption efficiency of the flow rate of boric acid at different concentrations through an ion exchange column 10.2 cm 2 in cross section. The strongly alkaline VOFATIT RO ion exchanger was used. (B.S.)

Thermoanalytical investigation of the hydrogen absorption behaviour of Sm2Fe17-xGax at high hydrogen pressures

International Nuclear Information System (INIS)

Handstein, A.; Kubis, M.; Gebel, B.; Mueller, K.-H.; Schultz, L.; Gutfleisch, O.; Harris, I.R.; Birmingham Univ.

1998-01-01

The complete disproportionation of Sm 2 Fe 17-x Ga x during annealing in hydrogen is hindered due to an increased stability of the compounds with a higher Ga content (x ≥ 1). Therefore the HD process as the first step of HDDR (hydrogenation-disproportionation-desorption-recombination) has to be carried out at a high hydrogen pressure for x ≥ 1. The hydrogen absorption behaviour of Sm 2 Fe 17-x Ga x (x = 0, 0.5, 1 and 2) was investigated by means of hydrogen differential thermal analysis (HDTA) and high pressure differential scanning calorimetry (HPDSC) at hydrogen pressures up to 70 bar. A dependency of hydrogenation and disproportionation temperatures on hydrogen pressure and Ga content was found. The comparison with other substituents (M = Al and Si) instead of M = Ga showed an increased stability of Sm 2 Fe 17-x M x compounds against disproportionation by hydrogen in the sequence Al, Ga and Si. The Curie temperatures of the interstitially hydrogenated Th 2 Zn 17 -type materials increase with the hydrogen pressure. In order to produce coercive and thermally stable Sm 2 Fe 15 Ga 2 C y powder by means of the HDDR process, we recombined material disproportionated at different hydrogen pressures. Preliminary results of magnetic properties of this HDDR treated and gas-carburized Sm 2 Fe 15 Ga 2 C y are discussed. (orig.)

Electron stimulated molecular desorption of a non-evaporable Zr-V-Fe alloy getter at room temperature

CERN Document Server

Le Pimpec, Frederic; Laurent, Jean Michel

2002-01-01

Electron stimulated molecular desorption (ESD) from a non-evaporable getters (NEG) St 707 registered trademark (SAES Getters trademark ) sample after conditioning and after saturation with isotopic carbon monoxide (cf. nomenclature in Handbook of Chemistry and Physics, CRC Press, 1994), **1**3C**1**8O, has been studied on a laboratory setup. Measurements were performed using an electron beam of 300 eV kinetic energy, with an average electron intensity of 1.6 multiplied by 10**1**5 electrons s**-**1. The electrons were impinging on the 15 cm **2 target surface at perpendicular incidence. It is found that the desorption yields eta (molecules/electron) of the characteristic gases in an UHV system (hydrogen, methane, water, carbon monoxide, carbon dioxide) for a fully activated NEG as well as for a NEG fully saturated with **1**3C**1**8O are lower than for OFHC copper baked at 120 degree C. A small fraction only of the gas which is required to saturate the getter surface can be re-desorbed and thus appears to be ...

Realizing nanographene activated by a vacancy to solve hydrogen storage problem

Science.gov (United States)

Sunnardianto, Gagus Ketut; Maruyama, Isao; Kusakabe, Koichi

We found a triply hydrogenated vacancy (V111) in nanographene reduces an activation barrier of adsorption-desorption process in both ways in an equal manner from the known values for pristine graphene as well as those of other hydrogenated vacancies of graphene. This finding may give a key to overcome existing problems in the hydrogen uptake and release processes in known hydrogen storage materials, e.g. graphene and organic hydrides (OHs) in near ambient operation temperature. In this study, we used DFT-NEB simulation to estimate the barrier height, which is supported by realized real experiments. We consider a nanographene molecule (VANG) which contains V111 with armchair structure at the periphery. We found interesting feature in comparable values of energy barriers for both hydrogen uptake and release, where hydrogenation process is even a little bit endothermic and dehydrogenation is a little but exothermic nature. Thus, this material structure acts as ``self-catalytic properties'', which has an important role in reducing an energy barrier and as a trapping site for hydrogen serving a new material prevailing other hopeful candidates. The work is supported by JSPS KAKENHI in Science of Atomic Layers\\x9D.

Nanoscale microstructure effects on hydrogen behavior in rapidly solidified aluminum alloys

Energy Technology Data Exchange (ETDEWEB)

Tashlykova-Bushkevich, Iya I. [Belarusian State University of Informatics and Radioelectronics, Minsk (Belarus)

2015-12-31

The present work summarizes recent progress in the investigation of nanoscale microstructure effects on hydrogen behavior in rapidly solidified aluminum alloys foils produced at exceptionally high cooling rates. We focus here on the potential of modification of hydrogen desorption kinetics in respect to weak and strong trapping sites that could serve as hydrogen sinks in Al materials. It is shown that it is important to elucidate the surface microstructure of the Al alloy foils at the submicrometer scale because rapidly solidified microstructural features affect hydrogen trapping at nanostructured defects. We discuss the profound influence of solute atoms on hydrogen−lattice defect interactions in the alloys. with emphasis on role of vacancies in hydrogen evolution; both rapidly solidified pure Al and conventionally processed aluminum samples are considered.

Evaluation of hydrogen trapping mechanisms during performance of different hydrogen fugacity in a lean duplex stainless steel

Energy Technology Data Exchange (ETDEWEB)

Silverstein, R., E-mail: barrav@post.bgu.ac.il [Department of Material Science and Engineering, Ben-Gurion University of the Negev, Beer-Sheva (Israel); Eliezer, D. [Department of Material Science and Engineering, Ben-Gurion University of the Negev, Beer-Sheva (Israel); Glam, B.; Eliezer, S.; Moreno, D. [Soreq Nuclear Research Center, Yavne, 81800 (Israel)

2015-11-05

Hydrogen trapping behavior in a lean duplex stainless steel (LDS) is studied by means of thermal desorption spectrometry (TDS). The susceptibility of a metal to hydrogen embrittlement is directly related to the trap characteristics: source or sink (reversible or irreversible, respectively). Since trapping affects the metal's diffusivity, it has a major influence on the hydrogen assisted cracking (HAC) phenomenon. It is known from previously published works that the susceptibility will depend on the competition between reversible and irreversible traps; meaning a direct relation to the hydrogen's initial state in the steel. In this research the trapping mechanism of LDS, exposed to different hydrogen charging environments, is analyzed by means of TDS. The TDS analysis was supported and confirmed by means of X-ray diffraction (XRD), hydrogen quantitative measurements and microstructural observations. It was found that gaseous charging (which produces lower hydrogen fugacity) creates ∼22% higher activation energy for hydrogen trapping compared with cathodic charging (which produces higher hydrogen fugacity). These results are due to the different effects on the hydrogen behavior in LDS which causes a major difference in the hydrogen contents and different hydrogen assisted phase transitions. The highest activation energy value in the cathodic charged sample was ascribed to the dominant phase transformation of γ → γ{sup ∗}, whereas in the gaseous charged sample it was ascribed to the dominant formation of intermetallic compound, sigma (σ). The relation between hydrogen distribution in LDS and hydrogen trapping mechanism is discussed in details. - Highlights: • The relation between hydrogen distribution and trapping in LDS is discussed. • Hydrogen's initial state in LDS causes different microstructural changes. • Gaseous charged LDS creates higher trapping energy compared to cathodic charged LDS. • The dominant phase transformation in

Trapping hydropyrolysates on silica and their subsequent desorption to facilitate rapid fingerprinting by GC-MS

Energy Technology Data Exchange (ETDEWEB)

Meredith, W.; Russell, C.A.; Cooper, M.; Snape, C.E. [Nottingham Univ. (United Kingdom). Fuel and Energy Centre; Love, G.D. [Newcastle upon Tyne Univ. (United Kingdom). School of Civil Engineering and Geosciences; Fabbri, D. [Universita di Bologna, Ravenna (Italy). Lab. di Chimica Ambientale; Vane, C.H. [British Geological Society, Keyworth (United Kingdom)

2004-01-01

Analytical hydropyrolysis performed under high hydrogen gas pressure (>10 MPa) has been demonstrated to possess the unique ability to release high yields of biomarker hydrocarbons covalently bound within the non-hydrocarbon macromolecular fraction of crude oils and source rocks. This study describes the development of the experimental procedure for trapping the product oils (hydropyrolysates) on silica to facilitate more convenient recovery than conventional collection and to allow analysis by thermal desorption-GC-MS without any prior work-up. Conventionally, the trap has consisted of a stainless steel coil, cooled with dry ice from which the products are recovered in organic solvents. Replacing this with a system in which the hydropyrolysates are adsorbed on a small mass of silica greatly reduces the turn-around time between tests, and aids the recovery and separation of the products. This method has been developed using an oil shale and an oil asphaltene fraction, with the silica trap producing very similar biomarker profiles to that from the conventional trap. The quantitative recovery of hydrocarbons from a light crude oil desorbed from silica under hydropyrolysis conditions demonstrates no significant loss of the high molecular weight n-alkanes (>n-C{sub 10}) for both trapping methods. The use of liquid nitrogen as the trap coolant results in significantly improved recovery of the lower molecular mass constituents. The silica trapping method allows for the hydropyrolysates to be characterised by thermal desorption-GC-MS, which has been investigated both on- and off-line. The oils undergo relatively little cracking during desorption, with similar n-alkane and biomarker profiles being obtained as with normal work-up and GC-MS analysis. Thus, in terms of fingerprinting geomacromolecules, ''hypy-thermal desorption-GC-MS'' appears to have the potential to be developed as an attractive alternative to traditional py-GC-MS. (author)

Electron microscopy studies of materials used for hydrogen storage

Energy Technology Data Exchange (ETDEWEB)

Andrei, Carmen M.

2004-07-01

Concerns over global warming and air pollution have stimulated the concept of the ''Hydrogen Economy'' and the potential extensive use of hydrogen as an energy carrier. Hydrogen storage in a solid matrix has become one of the promising solutions for vehicular applications. In this study, several transmission electron microscopy (TEM) techniques such as high resolution (HR), electron diffraction, energy dispersive X-ray spectroscopy (EDS), electron energy loss spectroscopy (EELS) and energy-filtered transmission electron microscopy (EFT EM) as well as scanning electron microscopy (SEM) have been used to study the microstructure of materials related to hydrogen storage applications. Some of the results are compared with powder X-ray diffraction (PXD) data. A TbNiAl compound processed by the hydrogenation-disproportionation-desorption-recombination (HDDR) route has been studied using a combination of SEM, TEM and PXD. Information about the variations in the composition and surface topography in both disproportionation and recombination stages is given by the SEM backscattered electrons and secondary electrons images. The crystallites that have undergone the recombination process were found smaller in size. The sodium alanate, NaAIH4 is one of the most promising candidate materials for hydrogen storage. Ti additives are effective at reducing the reaction temperatures and improving the efficiency of the kinetics. The microstructure of NaAlH4 with TiF3 additive has been examined after the initial ball milling and after 15 cycles, using TEM, SEM and EDS. The effect of the additive on particle morphology, grain size and distribution of the phases has been studied. The additive has uneven distribution in the sample after initial ball milling. After 15 cycles, EDS maps show some combination of Ti with the alanate phase. No significant change in grain size of the Na/Al rich particles between the ball milled and 15 cycled sample was observed. The LiAlD4

Nickel foam/polyaniline-based carbon/palladium composite electrodes for hydrogen storage

International Nuclear Information System (INIS)

Skowronski, Jan M.; Urbaniak, Jan

2008-01-01

The sandwich-like nickel/palladium/carbon electrodes exhibiting ability to absorb hydrogen in alkaline solution are presented. Electrodes were prepared by successive deposition of palladium and polyaniline layers on nickel foam substrate followed by heat treatment to give Ni/Pd/C electrode. It was shown that thermal conversion of polymer into carbon layer and subsequent thermal activation of carbon component bring about the modification of the mechanism of reversible hydrogen sorption. It was proven that carbon layer, interacting with Pd catalyst, plays a considerable role in the process of hydrogen storage. In the other series of experiments, Pd particles were dispersed electrochemically on carbon coating leading to Ni/C/Pd system. The adding of the next carbon layer resulted in Ni/C/Pd/C electrodes. Electrochemical properties of the electrodes depend on both the sequence of Pd and C layers and the preparation/activation of carbon coating. Electrochemical behavior of sandwich-like electrodes in the reaction of hydrogen sorption/desorption was characterized in 6 M KOH using the cyclic voltammetry method and the results obtained were compared to those for Ni/Pd electrode. The anodic desorption of hydrogen from electrodes free and containing carbon layer was considered after the potentiodynamic as well as potentiostatic sorption of hydrogen. The influence of the sorption potential and the time of rest of electrodes at a cut-off circuit on the kinetics of hydrogen recovery were examined. The results obtained for Ni/Pd/C electrodes indicate that the displacement of hydrogen between C and Pd phase takes place during the rest at a cut-off circuit. Electrodes containing carbon layer require longer time for hydrogen electrosorption. On the other hand, the presence of carbon layer in electrodes is advantageous because a considerable longer retention of hydrogen is possible, as compared to Pd/Ni electrode. Hydrogen stored in sandwich-like electrodes can instantly be

Absorption/desorption in sprays

International Nuclear Information System (INIS)

Naimpally, A.

1987-01-01

This survey paper shall seek to present the present state of knowledge concerning absorption and desorption in spray chambers. The first part of the paper presents the theories and formulas for the atomization and break-up of sprays in nozzles. Formulas for the average (sauter-mean) diameters are then presented. For the case of absorption processes, the formulas for the dimensionless mass transfer coefficients is in drops. The total; mass transfer is the total of the transfer in individual drops. For the case of desorption of sparingly soluble gases from liquids in a spray chamber, the mass transfer occurs in the spray just at the point of break-up of the jet. Formulas for the desorption of gases are presented

Study of the radium sorption/desorption on goethite

International Nuclear Information System (INIS)

Bassot, S.; Stammose, D.; Mallet, C.; Lefebvre, C.; Ferreux, J.-M.

2000-01-01

The oxi-hydroxides, present at trace level in uranium mill tailings, are responsible of about 70% of the 226 radium sorption, half being fixed on crystallized forms. This radionuclide (half time=1622y), present at high level (50 to 100kBq.kg -1 ), can be released in groundwater, involving a possible contamination of the food chain (actual concentration limit=0.37Bq.1 -1 ). So, it is very important to point out the mechanisms of the radium sorption/desorption on crystallized oxi-hydroxides as a function of chemical conditions of the system. The radium sorption on synthetic goethite α-FeOOH has been studied as a function of contact time, initial radium activity, pH, sodium and calcium concentrations. The results show that, after one hour of contact time (necessary to reach equilibrium), the radium sorption increases widely in a pH range 6-7. The increase of Na + concentration is without influence on the radium sorption, indicating the low interactions between sodium and surface sites. At the opposite, the presence of calcium in solution decreases widely the radium sorption, that indicates a competition between calcium and radium for the same kind of sorption sites of the oxi-hydroxide surface. The percentage of radium desorbed increases widely with time, from 1 to 120h and becomes constant at a time higher than 120h. This long equilibrium time for desorption in comparison with sorption one can be explain by a local evolution of the sorption sites of the solid, which become less accessible for the solution in contact. (author)

Auger decay mechanism in photon-stimulated desorption of ions from surfaces

International Nuclear Information System (INIS)

Parks, C.C.

1983-11-01

Photon-stimulated desorption (PSD) of positive ions was studied with synchrotron radiation using an angle-integrating time-of-flight mass spectrometer. Ion yields as functions of photon energy near core levels were measured from condensed gases, alkali fluorides, and other alkali and alkaline earth halides. These results are compared to bulk photoabsorption measurements with emphasis on understanding fundamental desorption mechanisms. The applicability of the Auger decay mechanism, in which ion desorption is strictly proportional to surface absorption, is discussed in detail. The Auger decay model is developed in detail to describe Na + and F + desorption from NaF following Na(1s) excitation. The major decay pathways of the Na(1s) hole leading to desorption are described and equations for the energetics of ion desorption are developed. Ion desorption spectra of H + , Li + , and F + are compared to bulk photoabsorption near the F(2s) and Li(1s) edges of LiF. A strong photon beam exposure dependence of ion yields from alkali fluorides is revealed, which may indicate the predominance of metal ion desorption from defect sites. The large role of indirect mechanisms in ion desorption condensed N 2 -O 2 multilayers is demonstrated and discussed. Ion desorption spectra from several alkali halides and alkaline earth halides are compared to bulk photoabsorption spectra. Relative ion yields from BaF 2 and a series of alkali halides are discussed in terms of desorption mechanisms

Modeling Organic Contaminant Desorption from Municipal Solid Waste Components

Science.gov (United States)

Knappe, D. R.; Wu, B.; Barlaz, M. A.

2002-12-01

Approximately 25% of the sites on the National Priority List (NPL) of Superfund are municipal landfills that accepted hazardous waste. Unlined landfills typically result in groundwater contamination, and priority pollutants such as alkylbenzenes are often present. To select cost-effective risk management alternatives, better information on factors controlling the fate of hydrophobic organic contaminants (HOCs) in landfills is required. The objectives of this study were (1) to investigate the effects of HOC aging time, anaerobic sorbent decomposition, and leachate composition on HOC desorption rates, and (2) to simulate HOC desorption rates from polymers and biopolymer composites with suitable diffusion models. Experiments were conducted with individual components of municipal solid waste (MSW) including polyvinyl chloride (PVC), high-density polyethylene (HDPE), newsprint, office paper, and model food and yard waste (rabbit food). Each of the biopolymer composites (office paper, newsprint, rabbit food) was tested in both fresh and anaerobically decomposed form. To determine the effects of aging on alkylbenzene desorption rates, batch desorption tests were performed after sorbents were exposed to toluene for 30 and 250 days in flame-sealed ampules. Desorption tests showed that alkylbenzene desorption rates varied greatly among MSW components (PVC slowest, fresh rabbit food and newsprint fastest). Furthermore, desorption rates decreased as aging time increased. A single-parameter polymer diffusion model successfully described PVC and HDPE desorption data, but it failed to simulate desorption rate data for biopolymer composites. For biopolymer composites, a three-parameter biphasic polymer diffusion model was employed, which successfully simulated both the initial rapid and the subsequent slow desorption of toluene. Toluene desorption rates from MSW mixtures were predicted for typical MSW compositions in the years 1960 and 1997. For the older MSW mixture, which had a

The electrochemistry and modelling of hydrogen storage materials

International Nuclear Information System (INIS)

Kalisvaart, W.P.; Vermeulen, P.; Ledovskikh, A.V.; Danilov, D.; Notten, P.H.L.

2007-01-01

Mg-based alloys are promising hydrogen storage materials because of the high gravimetric energy density of MgH 2 (7.6 wt.%). A major disadvantage, however, is its very slow desorption kinetics. It has been argued that, in contrast to the well-known rutile-structured Mg hydride, hydrided Mg-transition metal alloys have a much more open crystal structure facilitating faster hydrogen transport. In this paper, the electrochemical aspects of new Mg-Sc and Mg-Ti materials will be reviewed. Storage capacities as high as 6.5 wt.% hydrogen have been reached with very favourable discharge kinetics. A theoretical description of hydrogen storage materials has also been developed by our group. A new lattice gas model is presented and successfully applied to simulate the thermodynamic properties of various hydride-forming materials. The simulation results are expressed by parameters corresponding to several energy contributions, for example mutual atomic hydrogen interaction energies. A good fit of the lattice gas model to the experimental data is found in all cases

Sorption/desorption reversibility of polycyclic aromatic hydrocarbons (PAHs) in soils and carbonaceous materials

Energy Technology Data Exchange (ETDEWEB)

Wang, Guohui

2008-07-01

Understanding sorption/desorption is an important prerequisite for the prediction of fate and transport of pollutants in the environment. During the last two decades, numerous studies have reported hysteresis phenomenon for the interaction of hydrophobic organic contaminants (HOCs) with natural organic matter (NOM). It manifests as nonsingular sorption/desorption isotherms or different rates for sorption and desorption, where during desorption a higher affinity of a compound on a given sorbent and a longer time scale for release than for sorption is observed. Other studies showed that some of the reported sorption/desorption hysteresis phenomena are due to experimental artifacts, mainly resulting from non-attainment of sorption equilibrium before desorption experiments, which result in 'pseudo-hysteresis'. Except for the hypothesis of sorbent reconfiguration, clear experimental evidence for the physical or chemical mechanisms proposed to lead to hysteresis is still lacking. In this study, sorption/desorption equilibrium and kinetics of phenanthrene sorption/desorption from two soils and three carbonaceous samples were investigated using both batch and column techniques. The main objective of this work was to monitor hysteresis phenomenon by carefully recovering the solute mass in the system and to compare sorption/desorption equilibria and kinetics thermodynamically. Nonsingular isotherms and higher desorption enthalpies as well as increased activation energies with proceeding desorption are expected if significant hysteresis exists. Sorption-desorption cycles were carried out to compare equilibrium isotherms and associated sorption/desorption enthalpies (AeH, isosteric heats). Instead of the traditional decant-and-refill batch method, the experiments were conducted using a newly designed batch protocol, which enables the determination of sorption/desorption isotherms at different temperatures using a closed batch system. This method additionally allows

Sorption/desorption reversibility of polycyclic aromatic hydrocarbons (PAHs) in soils and carbonaceous materials

Energy Technology Data Exchange (ETDEWEB)

Wang, Guohui

2008-07-01

Understanding sorption/desorption is an important prerequisite for the prediction of fate and transport of pollutants in the environment. During the last two decades, numerous studies have reported hysteresis phenomenon for the interaction of hydrophobic organic contaminants (HOCs) with natural organic matter (NOM). It manifests as nonsingular sorption/desorption isotherms or different rates for sorption and desorption, where during desorption a higher affinity of a compound on a given sorbent and a longer time scale for release than for sorption is observed. Other studies showed that some of the reported sorption/desorption hysteresis phenomena are due to experimental artifacts, mainly resulting from non-attainment of sorption equilibrium before desorption experiments, which result in 'pseudo-hysteresis'. Except for the hypothesis of sorbent reconfiguration, clear experimental evidence for the physical or chemical mechanisms proposed to lead to hysteresis is still lacking. In this study, sorption/desorption equilibrium and kinetics of phenanthrene sorption/desorption from two soils and three carbonaceous samples were investigated using both batch and column techniques. The main objective of this work was to monitor hysteresis phenomenon by carefully recovering the solute mass in the system and to compare sorption/desorption equilibria and kinetics thermodynamically. Nonsingular isotherms and higher desorption enthalpies as well as increased activation energies with proceeding desorption are expected if significant hysteresis exists. Sorption-desorption cycles were carried out to compare equilibrium isotherms and associated sorption/desorption enthalpies (AeH, isosteric heats). Instead of the traditional decant-and-refill batch method, the experiments were conducted using a newly designed batch protocol, which enables the determination of sorption/desorption isotherms at different temperatures using a closed batch system. This method additionally allows the

Photon- and electron-stimulated desorption from laboratory models of interstellar ice grains

International Nuclear Information System (INIS)

Thrower, J. D.; Abdulgalil, A. G. M.; Collings, M. P.; McCoustra, M. R. S.; Burke, D. J.; Brown, W. A.; Dawes, A.; Holtom, P. J.; Kendall, P.; Mason, N. J.; Jamme, F.; Fraser, H. J.; Rutten, F. J. M.

2010-01-01

The nonthermal desorption of water from ice films induced by photon and low energy electron irradiation has been studied under conditions mimicking those found in dense interstellar clouds. Water desorption following photon irradiation at 250 nm relies on the presence of an absorbing species within the H 2 O ice, in this case benzene. Desorption cross sections are obtained and used to derive first order rate coefficients for the desorption processes. Kinetic modeling has been used to compare the efficiencies of these desorption mechanisms with others known to be in operation in dense clouds.

Modeling and experimental verification of the thermodynamic properties of hydrogen storage materials

NARCIS (Netherlands)

Ledovskikh, A.V.; Danilov, D.L.; Vliex, M.F.H.; Notten, P.H.L.

2016-01-01

A new mathematical model has been developed describing the thermodynamics of the hydrogen absorption and desorption process in Metal Hydrides via the gas phase. This model is based on first principles chemical and statistical thermodynamics and takes into account structural changes occurring inside

Adsorption-desorption and leaching of pyraclostrobin in Indian soils.

Science.gov (United States)

Reddy, S Navakishore; Gupta, Suman; Gajbhiye, Vijay T

2013-01-01

Pyraclostrobin is a new broad-spectrum foliar applied and seed protectant fungicide of the strobilurin group. In this paper, adsorption-desorption of pyraclostrobin has been investigated in three different soils viz. Inceptisol (sandy loam, Delhi), Vertisol (sandy clay, Hyderabad) and Ultisol (sandy clay loam, Thrissur). Effect of organic matter and clay content on sorption was also studied in Inceptisol of Delhi. Leaching potential of pyraclostrobin as influenced by rainfall was studied in intact soil columns to confirm the results of adsorption-desorption studies. The adsorption studies were carried out at initial concentrations of 0.05, 0.1, 0.5, 1 and 1.5 μg mL(-1). The distribution coefficient (Kd) values in three test soils ranged from 4.91 to 18.26 indicating moderate to high adsorption. Among the three test soils, adsorption was the highest in Ultisol (Kd 18.26), followed by Vertisol (Kd 9.87) and Inceptisol (Kd 4.91). KF value was also highest for Ultisol soil (66.21), followed by Vertisol (40.88) and Inceptisol (8.59). S-type adsorption isotherms were observed in all the three test soils. Kd values in organic carbon-removed soil and clay-removed soil were 3.57 and 2.83 respectively, indicating lower adsorption than normal Inceptisol. Desorption studies were carried out at initial concentrations of 0.5, 1 and 1.5 μg mL(-1). Desorption was the greatest in Inceptisol, followed by Vertisol and Ultisol. Amounts of pyraclostrobin desorbed in three desorption cycles for different concentrations were 23.1-25.3%, 9.4-20.7% and 8.1-13.6% in Inceptisol, Vertisol and Ultisol respectively. Desorption was higher in clay fraction-removed and organic carbonremoved soils than normal Inceptisol. Desorption was slower than adsorption in all the test soils, indicating hysteresis effect (with hysteresis coefficient values varying from 0.05 to 0.20). Low values of hysteresis coefficient suggest high hysteresis effect indicating easy and strong adsorption, and slow

Bacterial desorption from food container and food processing surfaces.

Science.gov (United States)

McEldowney, S; Fletcher, M

1988-03-01

The desorption ofStaphylococcus aureus, Acinetobacter calcoaceticus, and a coryneform from the surfaces of materials used for manufacturing food containers (glass, tin plate, and polypropylene) or postprocess canning factory conveyor belts (stainless steel and nylon) was investigated. The effect of time, pH, temperature, and adsorbed organic layers on desorption was studied.S. aureus did not detach from the substrata at any pH investigated (between pH 5 and 9).A. calcoaceticus and the coryneform in some cases detached, depending upon pH and substratum composition. The degree of bacterial detachment from the substrata was not related to bacterial respiration at experimental pH values. Bacterial desorption was not affected by temperature (4-30°C) nor by an adsorbed layer of peptone and yeast extract on the substrata. The results indicate that bacterial desorption, hence bacterial removal during cleaning or their transfer via liquids flowing over colonized surfaces, is likely to vary with the surface composition and the bacterial species colonizing the surfaces.

Temperature-Induced Desorption of Methyl tert-Butyl Ether Confined on ZSM-5: An In Situ Synchrotron XRD Powder Diffraction Study

Directory of Open Access Journals (Sweden)

Elisa Rodeghero

2017-02-01

Full Text Available The temperature-induced desorption of methyl tert-butyl ether (MTBE from aqueous solutions onto hydrophobic ZSM-5 was studied by in situ synchrotron powder diffraction and chromatographic techniques. This kind of information is crucial for designing and optimizing the regeneration treatment of such zeolite. The evolution of the structural features monitored by full profile Rietveld refinements revealed that a monoclinic (P21/n to orthorhombic (Pnma phase transition occurred at about 100 °C. The MTBE desorption process caused a remarkable change in the unit-cell parameters. Complete MTBE desorption was achieved upon heating at about 250 °C. Rietveld analysis demonstrated that the desorption process occurred without any significant zeolite crystallinity loss, but with slight deformations in the channel apertures.

Sc-Decorated WS_2 Nanoribbons as Hydrogen Storage Media

International Nuclear Information System (INIS)

Xu Bin; Wang Yu-Sheng; Zhang Jing; Song Na-Hong; Li Meng; Yi Lin

2016-01-01

The hydrogen storage behavior of Sc-decorated WS_2 monolayer and WS_2 nanoribbons is systematically studied by using first principles calculations based on the density functional theory. The present results indicate that an Sc-decorated WS_2 monolayer is not suitable for storing hydrogen due to the weak interaction between the monolayer WS_2 sheet and the Sc atoms. It is found that both the hybridization mechanism and the Coulomb attraction make the Sc atoms stably adsorb on the edges of WS_2 nanoribbons without clustering. The 2Sc/WS_2 NRs system can adsorb at most eight H_2 molecules with average adsorption energy of 0.20 eV/H_2. The results show that the desorption of H_2 is possible by lowering the pressure or by increasing the temperature. (paper)

Hydrogen storage and hydrolysis properties of core-shell structured Mg-MFx (M=V, Ni, La and Ce) nano-composites prepared by arc plasma method

Science.gov (United States)

Mao, Jianfeng; Zou, Jianxin; Lu, Chong; Zeng, Xiaoqin; Ding, Wenjiang

2017-10-01

In this work, core-shell structured Mg-MFx (M = V, Ni, La and Ce) nano-composites are prepared by using arc plasma method. The particle size distribution, phase components, microstructures, hydrogen sorption properties of these composites and hydrolysis properties of their corresponding hydrogenated powders are carefully investigated. It is shown that the addition of MFx through arc plasma method can improve both the hydrogen absorption kinetics of Mg and the hydrolysis properties of corresponding hydrogenated powders. Among them, the Mg-NiF2 composite shows the best hydrogen absorption properties at relatively low temperatures, which can absorb 3.26 wt% of H2 at 373 K in 2 h. Such rapid hydrogen absorption rate is mainly due to the formation of Mg2Ni and MgF2 on Mg particles during arc evaporation and condensation. In contrast, measurements also show that the hydrogenated Mg-VF3 composite has the lowest peak desorption temperature and the fastest hydrolysis rate among all the hydrogenated Mg-MFx composites. The less agglomeration tendency of Mg particles and VO2 covered on MgH2 particles account for the reduced hydrogen desorption temperature and enhanced hydrolysis rate.

Hexagonal boron nitride nanoparticles decorated halloysite clay nanotubes as a potential hydrogen storage medium

Energy Technology Data Exchange (ETDEWEB)

Muthu, R. Naresh, E-mail: rnaresh7708@gmail.com; Rajashabala, S. [School of Physics, Madurai Kamaraj University, Madurai-625021, Tamil Nadu (India); Kannan, R. [Department of Physics, University College of Engineering, Anna University, Dindigul-624622 (India); Department of Materials Science and Engineering, Cornell University, Ithaca 14850, New York (United States)

2016-05-23

The light weight and compact hydrogen storage materials is still prerequisite for the carbon free hydrogen fuel cell technology. In this work, the hydrogen storage performance of acid treated halloysite clay nanotubes (A-HNTs) and hexagonal boron nitride (h-BN) nanoparticles decorated acid treated halloysite nanoclay composite (A-HNT-h-BN) are demonstrated, where facile ultrasonic technique is adopted for the synthesis of A-HNT-h-BN nanoclay composite. Hydrogen storage studies were carried out using Sieverts-like hydrogenation setup. The A-HNTs and A-HNT-h-BN nanoclay composite were analyzed by XRD, FTIR, HRTEM, EDX, CHNS-elemental analysis and TGA. The A-HNT-h-BN nanoclay composite shows superior storage capacity of 2.19 wt% at 50 °C compared to the A-HNTs (0.58 wt%). A 100% desorption of stored hydrogen is noted in the temperature range of 138–175 °C. The average binding energy of hydrogen was found to be 0.34 eV for the prepared A-HNT-h-BN nanoclay composite. The excellent storage capability of A-HNT-h-BN nanoclay composite towards hydrogen at ambient temperature may find bright perspective in hydrogen fuel cell technology in near future.

Hexagonal boron nitride nanoparticles decorated halloysite clay nanotubes as a potential hydrogen storage medium

International Nuclear Information System (INIS)

Muthu, R. Naresh; Rajashabala, S.; Kannan, R.

2016-01-01

The light weight and compact hydrogen storage materials is still prerequisite for the carbon free hydrogen fuel cell technology. In this work, the hydrogen storage performance of acid treated halloysite clay nanotubes (A-HNTs) and hexagonal boron nitride (h-BN) nanoparticles decorated acid treated halloysite nanoclay composite (A-HNT-h-BN) are demonstrated, where facile ultrasonic technique is adopted for the synthesis of A-HNT-h-BN nanoclay composite. Hydrogen storage studies were carried out using Sieverts-like hydrogenation setup. The A-HNTs and A-HNT-h-BN nanoclay composite were analyzed by XRD, FTIR, HRTEM, EDX, CHNS-elemental analysis and TGA. The A-HNT-h-BN nanoclay composite shows superior storage capacity of 2.19 wt% at 50 °C compared to the A-HNTs (0.58 wt%). A 100% desorption of stored hydrogen is noted in the temperature range of 138–175 °C. The average binding energy of hydrogen was found to be 0.34 eV for the prepared A-HNT-h-BN nanoclay composite. The excellent storage capability of A-HNT-h-BN nanoclay composite towards hydrogen at ambient temperature may find bright perspective in hydrogen fuel cell technology in near future.

Hexagonal boron nitride nanoparticles decorated halloysite clay nanotubes as a potential hydrogen storage medium

Science.gov (United States)

Muthu, R. Naresh; Rajashabala, S.; Kannan, R.

2016-05-01

The light weight and compact hydrogen storage materials is still prerequisite for the carbon free hydrogen fuel cell technology. In this work, the hydrogen storage performance of acid treated halloysite clay nanotubes (A-HNTs) and hexagonal boron nitride (h-BN) nanoparticles decorated acid treated halloysite nanoclay composite (A-HNT-h-BN) are demonstrated, where facile ultrasonic technique is adopted for the synthesis of A-HNT-h-BN nanoclay composite. Hydrogen storage studies were carried out using Sieverts-like hydrogenation setup. The A-HNTs and A-HNT-h-BN nanoclay composite were analyzed by XRD, FTIR, HRTEM, EDX, CHNS-elemental analysis and TGA. The A-HNT-h-BN nanoclay composite shows superior storage capacity of 2.19 wt% at 50 °C compared to the A-HNTs (0.58 wt%). A 100% desorption of stored hydrogen is noted in the temperature range of 138-175 °C. The average binding energy of hydrogen was found to be 0.34 eV for the prepared A-HNT-h-BN nanoclay composite. The excellent storage capability of A-HNT-h-BN nanoclay composite towards hydrogen at ambient temperature may find bright perspective in hydrogen fuel cell technology in near future.

Study on the adsorption-desorption characteristics of 14C-pirimicarb in soils

International Nuclear Information System (INIS)

Guo Jiangfeng; Sun Jinhe; Li Xingming

1995-01-01

14 C-pirimicarb was used to study its adsorption-desorption behavior in 8 kinds of soils. The results indicated that there were significant differences in its adsorption with different kinds of soil. The lowest adsorption percentage was only 13.16% and the highest one was 87.75%. The amount of adsorption in the same kind of soil increased with the concentration of pesticide, but concentration had little influence on the adsorption within the certain range of concentrations. Multiple linear regression equation was developed for prediction of adsorption and determination of the relative importance of the soil parameters. It was significant that the key factors, soil pH and clay content were negatively and positively correlated with the adsorption respectively. The adsorption equilibrium of pirimicarb in soils could be well described by both the Freundlich isotherm and the Langmuir isotherm. The adsorbed 14 C-pirimicarb could disrobe from soil and its desorption was also influenced by soil properties described by multiple linear regression equation

Desorption of Benzene, 1,3,5-Trifluorobenzene, and Hexafluorobenzene from a Graphene Surface: The Effect of Lateral Interactions on the Desorption Kinetics.

Science.gov (United States)

Smith, R Scott; Kay, Bruce D

2018-05-03

The desorption of benzene, 1,3,5-trifluorobenzene (TFB), and hexafluorobenzene (HFB) from a graphene covered Pt(111) substrate was investigated using temperature programmed desorption (TPD). All three species have well resolved monolayer and second layer desorption peaks. The desorption spectra for submonolayer coverages of benzene and hexafluorobenzene are consistent with first order desorption kinetics. In contrast, the submonolayer TPD spectra for 1,3,5-trifluorobenzene align on a common leading-edge which is indicative of zero order desorption kinetics. The desorption behavior of the three molecules can be correlated with the strength of the quadrupole moments. Calculations (second-order Møller-Plesset perturbation and density functional theory) show that the potential minimum for coplanar TFB dimers is more than a factor of two greater than that for either benzene or HFB dimers. The calculations support the interpretation that benzene and HFB are less likely to form the two dimensional islands that are needed for submonolayer zero order desorption kinetics.

Desorption of large organic molecules by laser-induced plasmon excitation

International Nuclear Information System (INIS)

Lee, I.; Callcott, T.A.

1991-01-01

Ejection of large organic molecules from surfaces by laser-induced electronic-excited desorption has attracted considerable interest in recent years. In addition to the importance of this effect for fundamental investigations of the ejection process, this desorption technique has been applied to the study of large, fragile molecules by mass spectrometry. In this paper, we present a new method to induce electronic excitation on the metal surface for the desorption of large organic molecules. 3 refs., 3 figs

Metal-inorganic-organic matrices as efficient sorbents for hydrogen storage.

Science.gov (United States)

Azzouz, Abdelkrim; Nousir, Saadia; Bouazizi, Nabil; Roy, René

2015-03-01

Stabilization of metal nanoparticles (MNPs) without re-aggregation is a major challenge. An unprecedented strategy is developed for achieving high dispersion of copper(0) or palladium(0) on montmorillonite-supported diethanolamine or thioglycerol. This results in novel metal-inorganic-organic matrices (MIOM) that readily capture hydrogen at ambient conditions, with easy release under air stream. Hydrogen retention appears to involve mainly physical interactions, slightly stronger on thioglycerol-based MIOM (S-MIOM). Thermal enhancement of desorption suggests also a contribution of chemical interactions. The increase of hydrogen uptake with prolonged contact times arises from diffusion hindrance, which appears to be beneficial by favoring hydrogen entrapment. Even with compact structures, MIOMs act as efficient sorbents with much higher efficiency factor (1.14-1.17 mmol H 2 m(-2)) than many other sophisticated adsorbents reported in the literature. This opens new prospects for hydrogen storage and potential applications in microfluidic hydrogenation reactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Plasma-surface interaction in negative hydrogen ion sources

Science.gov (United States)

Wada, Motoi

2018-05-01

A negative hydrogen ion source delivers more beam current when Cs is introduced to the discharge, but a continuous operation of the source reduces the beam current until more Cs is added to the source. This behavior can be explained by adsorption and ion induced desorption of Cs atoms on the plasma grid surface of the ion source. The interaction between the ion source plasma and the plasma grid surface of a negative hydrogen ion source is discussed in correlation to the Cs consumption of the ion source. The results show that operation with deuterium instead of hydrogen should require more Cs consumption and the presence of medium mass impurities as well as ions of the source wall materials in the arc discharge enlarges the Cs removal rate during an ion source discharge.

The use of one-dimensional Niobate to improve MgH{sub 2} hydrogen sorption

Energy Technology Data Exchange (ETDEWEB)

Brum, M.C., E-mail: mbrum@metalmat.ufrj.br; Conceição, M.O.T. da; Jardim, P.M.; Santos, D.S. dos

2014-12-05

Highlights: • The 1-D Niobate W and Niobate C catalysts were synthesized. • The composites MgH{sub 2} + 5 wt.% catalysts were obtained by 20 min of mechanical milling. • The synthesized wired-like material 1-D Niobate W showed to be a promising catalyst. • A desorption capacity of 6.0 wt.%. of H{sub 2} was attained in 10 min with MgH{sub 2} + 5 wt.% 1-D Niobate W. - Abstract: A study was performed on the hydrogen absorption/desorption properties of MgH{sub 2} with the addition of Niobates synthesized by hydrothermal treatment of Nb{sub 2}O{sub 5} in 10 M NaOH. Scanning Electron Microscopy (SEM) and X-ray diffraction (XRD) were used to evaluate their synthesis and show the morphological and crystallographic differences between Nb{sub 2}O{sub 5} used as a precursor and the Niobates produced, the one-dimensional wired type, 1-D Niobate W and the cuboid one, Niobate C. The ball milling of MgH{sub 2} with the Niobates was performed within only 20 min and afterwards the Differential Scanning Calorimetry (DSC) examination of MgH{sub 2} + 1-D Niobate W and MgH{sub 2} + Niobate C showed the shifting of the peaks for both composites in comparison to pure MgH{sub 2}. The influence of the two different types of Niobates and also the Nb{sub 2}O{sub 5} on the hydrogen absorption/desorption capacity was evaluated at 350 °C. The higher absorption and desorption values were attained by the MgH{sub 2} + 5 wt.% 1-D Niobate W composite, reaching, in 10 min, approximately 5.0 wt.% and 6.0 wt.%, respectively. The possible mechanism involved in such property improvement upon adding niobium based catalysts with different morphology and structure was discussed.

Extrapolation studies on desorption of thorium and uranium at different solution compositions on contaminated soil sediments (Malaysia)

International Nuclear Information System (INIS)

Syed Hakimi Sakuma

2000-01-01

By means of batch desorption experiments, the thorium and uranium desorption properties of contaminated soil sediments are investigated as a function of the effect of cations present in the groundwater. A phenomenological correlation between the desorption coefficient and the concentration of Ca and Mg in the water is determined. Kd Thorium -0.15849 ± 0.03237 log (Ca + Mg) + 5.06715 ± 0.09106; Kd Uranium = -0.11984 ± 0.03237 log (Ca + Mg) + 2.99909 ± 0.09105. By these models the sorption/desorption behaviour of soils can be predicted phenomenologically as function of the groundwater composition. (author)

Hydrogen Absorption in Metal Thin Films and Heterostructures Investigated in Situ with Neutron and X-ray Scattering

Directory of Open Access Journals (Sweden)

Sara J. Callori

2016-05-01

Full Text Available Due to hydrogen possessing a relatively large neutron scattering length, hydrogen absorption and desorption behaviors in metal thin films can straightforwardly be investigated by neutron reflectometry. However, to further elucidate the chemical structure of the hydrogen absorbing materials, complementary techniques such as high resolution X-ray reflectometry and diffraction remain important too. Examples of work on such systems include Nb- and Pd-based multilayers, where Nb and Pd both have strong affinity to hydrogen. W/Nb and Fe/Nb multilayers were measured in situ with unpolarized and polarized neutron reflectometry under hydrogen gas charging conditions. The gas-pressure/hydrogen-concentration dependence, the hydrogen-induced macroscopic film swelling as well as the increase in crystal lattice plane distances of the films were determined. Ferromagnetic-Co/Pd multilayers were studied with polarized neutron reflectometry and in situ ferromagnetic resonance measurements to understand the effect of hydrogen absorption on the magnetic properties of the system. This electronic effect enables a novel approach for hydrogen sensing using a magnetic readout scheme.

Investigations into ultraviolet matrix-assisted laser desorption

Energy Technology Data Exchange (ETDEWEB)

Heise, Theodore W. [Iowa State Univ., Ames, IA (United States)

1993-07-01

Matrix-assisted laser desorption (MALD) is a technique for converting large biomolecules into gas phase ions. Some characteristics of the commonly used uv matrices are determined. Solubilities in methanol range from 0.1 to 0.5 M. Solid phase absorption spectra are found to be similar to solution, but slightly red-shifted. Acoustic and quartz crystal microbalance signals are investigated as possible means of uv-MALD quantitation. Evidence for the existence of desorption thresholds is presented. Threshold values are determined to be in the range of 2 to 3 MW/cm². A transient imaging technique based on laser-excited fluorescence for monitoring MALD plumes is described. Sensitivity is well within the levels required for studying matrix-assisted laser desorption, where analyte concentrations are significantly lower than those in conventional laser desorption. Results showing the effect of film morphology, particularly film thickness, on plume dynamics are presented. In particular, MALD plumes from thicker films tend to exhibit higher axial velocities. Fluorescent labeling of protein and of DNA is used to allow imaging of their uv-MALD generated plumes. Integrated concentrations are available with respect to time, making it possible to assess the rate of fragmentation. The spatial and temporal distributions are important for the design of secondary ionization schemes to enhance ion yields and for the optimization of ion collection in time-of-flight MS instruments to maximize resolution. Such information could also provide insight into whether ionization is closely associated with the desorption step or whether it is a result of subsequent collisions with the matrix gas (e.g., proton transfer). Although the present study involves plumes in a normal atmosphere, adaptation to measurements in vacuum (e.g., inside a mass spectrometer) should be straightforward.

Comparative studies of H absorption/desorption kinetics and evaporation of liquid lithium in different porous systems and free surfaces

Energy Technology Data Exchange (ETDEWEB)

Oyarzabal, E., E-mail: eider.oyarzabal@externos.ciemat.es [Ass. Euratom-Ciemat, Av. Complutense 22, 28040 Madrid (Spain); Calle de Guzmán el Bueno, 133, 28003 Madrid (Spain); Martín-Rojo, A.B. [Ass. Euratom-Ciemat, Av. Complutense 22, 28040 Madrid (Spain); Calle de Guzmán el Bueno, 133, 28003 Madrid (Spain); Tabarés, F.L. [Ass. Euratom-Ciemat, Av. Complutense 22, 28040 Madrid (Spain)

2017-04-15

In the present work, a study of the two most relevant properties of liquid lithium with respect to its suitability as a Plasma Facing Component (PFC) element in a Reactor, namely, its evaporation rate and the uptake/release of hydrogen, eventually leading to the formation of a stable hydride was carried out for Li in different porous systems and Li as a free surface. These properties were characterized in a temperature range of 200–500 °C. The H{sub 2} absorption kinetics at low pressure (<1torr) were measured for the different studied porous systems and then outgassed. Particle balance and chemical analysis were used to assess the retention properties of lithium for each case. Thermal Desorption Spectroscopy (TDS) analysis was used for the assessment of possible hydride formation. Evaporation rates were determined by using a Quartz Microbalance (QMB). A significant reduction of the evaporation rate was observed when Li was trapped in a microstructure of sintered stainless steel with a characteristic porous size of 5–10 μm. On the other hand, a negligible rate of H{sub 2} uptake was found at temperatures above 500 °C in all cases.

Decomposition of thin titanium deuteride films: thermal desorption kinetics studies combined with microstructure analysis

NARCIS (Netherlands)

Lisowski, W.F.; Keim, Enrico G.; Kaszkur, Zbigniew; Smithers, M.A.; Smithers, Mark A.

2008-01-01

The thermal evolution of deuterium from thin titanium films, prepared under UHV conditions and deuterated in situ at room temperature, has been studied by means of thermal desorption mass spectrometry (TDMS) and a combination of scanning electron microscopy (SEM), transmission electron microscopy

Electrothermal adsorption and desorption of volatile organic compounds on activated carbon fiber cloth

Energy Technology Data Exchange (ETDEWEB)

Son, H.K. [Department of Health and Environment, Kosin University, Dong Sam Dong, Young Do Gu, Busan (Korea, Republic of); Sivakumar, S., E-mail: ssivaphd@yahoo.com [Department of Bioenvironmental Energy, College of Natural Resource and Life Science, Pusan National University, Miryang-si, Gyeongsangnam-do 627-706 (Korea, Republic of); Rood, M.J. [Department of Civil and Environmental Engineering, University of Illinois, Urbana, IL (United States); Kim, B.J. [Construction Engineering Research Laboratory, U.S. Army Engineer Research and Development Center (ERDC-CERL), Champaign, IL (United States)

2016-01-15

Highlights: • We study the adsorption and desorption of VOCs by an activated carbon fiber cloth. • Desorption concentration was controlled via electrothermal heating. • The desorption rate was successfully equalized and controlled by this system. - Abstract: Adsorption is an effective means to selectively remove volatile organic compounds (VOCs) from industrial gas streams and is particularly of use for gas streams that exhibit highly variable daily concentrations of VOCs. Adsorption of such gas streams by activated carbon fiber cloths (ACFCs) and subsequent controlled desorption can provide gas streams of well-defined concentration that can then be more efficiently treated by biofiltration than streams exhibiting large variability in concentration. In this study, we passed VOC-containing gas through an ACFC vessel for adsorption and then desorption in a concentration-controlled manner via electrothermal heating. Set-point concentrations (40–900 ppm{sub v}) and superficial gas velocity (6.3–9.9 m/s) were controlled by a data acquisition and control system. The results of the average VOC desorption, desorption factor and VOC in-and-out ratio were calculated and compared for various gas set-point concentrations and superficial gas velocities. Our results reveal that desorption is strongly dependent on the set-point concentration and that the VOC desorption rate can be successfully equalized and controlled via an electrothermal adsorption system.

First-Principles Studies on Deoxidizing Mechanism of V2O5 via Hydrogen

Science.gov (United States)

Zhang, Yanning; Jin, Mengting

With its high melting point, good plasticity and good corrosion resistance at low temperatures, vanadium has been widely used in the industries of iron and steel, aviation, energy storage, etc. However, the traditional manufacturing technologies of pure vanadium are usually connected with complex manufacturing processes, high costs and serious environment pollution, which more or less hindered its further applications. Recently, hydrogen gas has been considered as a promising reducing agent of V2O5, but experimental studies of deoxidization process of V2O5 single crystal surfaces were found to be extremely difficult. In this work, we perform extensive ab initio studies on the structural and electronic properties of different V2O5 surfaces, as well as the adsorption sites, diffusion and desorption processes of H on these surfaces as a dependence of depth. We found that H atoms adsorb at oxygen site to form surface hydroxyl (OH-) and further to form H2O on V2O5(010) surfaces, and the latter is easier to be desorbed compared with the former. But the desorption of H2O causes significant surface reconstructions, which makes the further deoxidization of V2O5 difficult, particularly on the V2O5 single-layer. Our theoretical results are instructive for understandings of the reduction mechanism of V2O5 by using a green agent of H2, and furthermore for the design of new experiments. Work was supported by the startup fund of China Thousand Young Talents, and National Basic Research Program of China (973 program, No: 2013CB934700). The calculations were supported by Tianhe2-JK in Beijing Computational Science Research Center.

Sorption-desorption dynamics of radiocaesium in organic matter soils

International Nuclear Information System (INIS)

Valcke, E.; Cremers, A.

1994-01-01

A systematic study has been carried out on the radiocaesium sorption properties of 25 soils (forest, peat) covering organic matter (OM) contents in the range of 10-97%. Predictions are made for radiocaesium partitioning between micaceous Frayed Edge Sites (FES) and regular exchange sites (RES) on the basis of specific radiocaesium interception potentials of the soil and overall exchange capacity. It is shown that for soils with a very high OM content (>80%), significant fractions are present in a readily reversible form in the OM phase. In soils of low-medium OM content (<40%), only a very minor fraction is present in the OM exchange complex. Experimental findings, based on a desorption screening with a variety of desorption agents are in agreement with these predictions. On the basis of a study of sorption kinetics, some additional tools are available for identifying problem soils. In cases of very high OM content, radiocaesium adsorption is completed within hours demonstrating the involvement of the OM sites. In soils for which interception occurs in the FES, sorption continues to proceed for periods of 2-3 weeks. In conclusion, some examples are presented on radiocaesium desorption using ion exchangers as radiocaesium sinks in promoting desorption. For a peaty soil, near quantitative desorption is accomplished. For forest soils with OM contents in a range of 10-40%, fixation levels of 30-50% are demonstrated

Sorption and desorption of diuron in Oxisol under biochar application

OpenAIRE

Petter, Fabiano André; Ferreira, Tamara Santos; Sinhorin, Adilson Paulo; Lima, Larissa Borges de; Morais, Leidimar Alves de; Pacheco, Leandro Pereira

2016-01-01

ABSTRACT The objective of this study was to verify the kinetics of sorption and desorption of diuron in an Oxisol under application of biochar. The samples were collected in a field experiment conducted in randomized design blocks consisted of 2 base fertilization levels (0 and 400 kg∙ha−1 NPK 00-20-20 fertilizer formula) and 3 doses of biochar (0, 8 and 16 Mg∙ha−1). In the evaluation of sorption and desorption, Batch Equilibrium method was used. The kinetics of sorption and desorption of diu...

Catalytic glycerol steam reforming for hydrogen production

International Nuclear Information System (INIS)

Dan, Monica; Mihet, Maria; Lazar, Mihaela D.

2015-01-01

Hydrogen production from glycerol by steam reforming combine two major advantages: (i) using glycerol as raw material add value to this by product of bio-diesel production which is obtained in large quantities around the world and have a very limited utilization now, and (ii) by implication of water molecules in the reaction the efficiency of hydrogen generation is increased as each mol of glycerol produces 7 mol of H 2 . In this work we present the results obtained in the process of steam reforming of glycerol on Ni/Al 2 O 3 . The catalyst was prepared by wet impregnation method and characterized through different methods: N 2 adsorption-desorption, XRD, TPR. The catalytic study was performed in a stainless steel tubular reactor at atmospheric pressure by varying the reaction conditions: steam/carbon ratio (1-9), gas flow (35 ml/min -133 ml/min), temperature (450-650°C). The gaseous fraction of the reaction products contain: H 2 , CH 4 , CO, CO 2 . The optimum reaction conditions as resulted from this study are: temperature 550°C, Gly:H 2 O ratio 9:1 and Ar flow 133 ml/min. In these conditions the glycerol conversion to gaseous products was 43% and the hydrogen yield was 30%

Desorption of protium and deuterium from different types of titanium beds

International Nuclear Information System (INIS)

Ionete, Eusebiu Ilarian; Dylst, Kris; Gheorghe, Costeanu Claudiu; Stefan, Spiridon Ionut; Florian, Monea Bogdan; Broeckx, Wouter

2017-01-01

When the long term tritium storage is intended, metal hydride materials, particularly the titanium (Ti) beds, seems to be the recommended option, due to its compliance with the criteria of selection (e.g. material cost, stability, storage capacity, loading and unloading conditions, or radioactivity). However few experimental and numerical analyses have been published so far to better support the understanding of the recovery capabilities for different forms of titanium beds. In this work, an investigation on the recovery of different hydrogen isotopes from two types of titanium (Ti) beds, namely Ti powder and Ti sponge, has been performed. Hydrogen isotope release was experimentally verified up to a temperature of 600 °C for both Ti powder and Ti sponge beds. The desorption percentages were determined to be from 24.98 to 20.54 in the case of D_2 on Ti sponge, and from 34.36 to 29.77 in the case of H_2 on Ti sponge. The paper describes in detail the experimental set up, the measurements and the drawn conclusions.

Desorption of protium and deuterium from different types of titanium beds

Energy Technology Data Exchange (ETDEWEB)

Ionete, Eusebiu Ilarian, E-mail: eusebiu.ionete@icsi.ro [National Research and Development Institute for Cryogenics and Isotopic Technologies—ICSI Rm. Valcea, 240050 Ramnicu Valcea (Romania); Dylst, Kris [SCK-CEN, Boeretang 200, 2400 Mol (Belgium); Gheorghe, Costeanu Claudiu; Stefan, Spiridon Ionut; Florian, Monea Bogdan [National Research and Development Institute for Cryogenics and Isotopic Technologies—ICSI Rm. Valcea, 240050 Ramnicu Valcea (Romania); Broeckx, Wouter [SCK-CEN, Boeretang 200, 2400 Mol (Belgium)

2017-03-15

When the long term tritium storage is intended, metal hydride materials, particularly the titanium (Ti) beds, seems to be the recommended option, due to its compliance with the criteria of selection (e.g. material cost, stability, storage capacity, loading and unloading conditions, or radioactivity). However few experimental and numerical analyses have been published so far to better support the understanding of the recovery capabilities for different forms of titanium beds. In this work, an investigation on the recovery of different hydrogen isotopes from two types of titanium (Ti) beds, namely Ti powder and Ti sponge, has been performed. Hydrogen isotope release was experimentally verified up to a temperature of 600 °C for both Ti powder and Ti sponge beds. The desorption percentages were determined to be from 24.98 to 20.54 in the case of D{sub 2} on Ti sponge, and from 34.36 to 29.77 in the case of H{sub 2} on Ti sponge. The paper describes in detail the experimental set up, the measurements and the drawn conclusions.

Production method of hydrogen storage alloy electrode and hydrogen storage alloy for rechageable battery; Suiso kyuzo gokin denkyoku oyobi chikudenchiyo suiso kyuzo gokin no seizo hoho

Energy Technology Data Exchange (ETDEWEB)

Mizutaki, F.; Ishimaru, M.

1995-04-07

This invention relates to the hydrogen storage alloy electrode in which the misch metal-nickel system hydrogen storage alloy is employed. The grain of the hydrogen storage alloy is controlled so as to reduce the dendrite cell size. Since the hydrogen storage alloy having such small dendrite cell size has no part where the metal structure is too brittle, the alloy has a sufficient mechanical strength. It can stand for the swell and shrink stress associated with the sorption and desorption of hydrogen. The disintegration, therefore, due to the cracking of the alloy is hardly to take place. In addition, the quenching of molten alloy at a cooling rate of 1000{degree}C/sec or faster suppresses the occurrence of segregation of any alloy element at the grain boundary, making it possible to produce the homogeneous and mechanically strong alloy. In other words, it can be achieved to produce a hydrogen storage alloy electrode having an excellent cycle property. 4 figs., 1 tab.

Sorption-desorption behavior of polybrominated diphenyl ethers in soils

International Nuclear Information System (INIS)

Olshansky, Yaniv; Polubesova, Tamara; Vetter, Walter; Chefetz, Benny

2011-01-01

Polybrominated diphenyl ethers (PBDEs) are flame retardants that are commonly found in commercial and household products. These compounds are considered persistent organic pollutants. In this study, we used 4,4'-dibromodiphenyl ether (BDE-15) as a model compound to elucidate the sorption and desorption behavior of PBDEs in soils. The organic carbon-normalized sorption coefficient (K OC ) of BDE-15 was more than three times higher for humin than for bulk soils. However, pronounced desorption hysteresis was obtained mainly for bulk soils. For humin, increasing concentration of sorbed BDE-15 resulted in decreased desorption. Our data illustrate that BDE-15 and probably other PBDEs exhibit high sorption affinity to soils. Moreover, sorption is irreversible and thus PBDEs can potentially accumulate in the topsoil layer. We also suggest that although humin is probably a major sorbent for PBDEs in soils, other humic materials are also responsible for their sequestration. - Highlights: → BDE-15 exhibited pronounced desorption hysteresis. → BDE-15 sowed higher sorption affinity to humin as compared to the bulk soils. → Sequestration of PBDEs depends on soil organic matter constitutes other than humin. - Pronounced desorption hysteresis was observed for BDE-15 in natural soils.

Ionic Adsorption and Desorption of CNT Nanoropes

Directory of Open Access Journals (Sweden)

Jun-Jun Shang

2016-09-01

Full Text Available A nanorope is comprised of several carbon nanotubes (CNTs with different chiralities. A molecular dynamic model is built to investigate the ionic adsorption and desorption of the CNT nanoropes. The charge distribution on the nanorope is obtained by using a modified gradient method based on classical electrostatic theory. The electrostatic interactions among charged carbon atoms are calculated by using the Coulomb law. It was found here that the charged nanorope can adsorb heavy metal ions, and the adsorption and desorption can be realized by controlling the strength of applied electric field. The distance between the ions and the nanorope as well as the amount of ions have an effect on the adsorption capacity of the nanorope. The desorption process takes less time than that of adsorption. The study indicates that the CNT nanorope can be used as a core element of devices for sewage treatment.

Sorption and desorption of indaziflam degradates in several agricultural soils

Directory of Open Access Journals (Sweden)

Diego Gonçalves Alonso

2016-04-01

Full Text Available ABSTRACT Processes regulating pesticide fate in the environment are influenced by the physicochemical properties of pesticides and soils. Sorption and desorption are important processes as they regulate the movement of pesticides in soil. Although sorption-desorption is widely studied for herbicides, studies involving their metabolites in soil are scarce. Sorption and desorption of indaziflam metabolites (indaziflam-triazinediamine (FDAT, indaziflam-triazine-indanone (ITI and indaziflam-carboxilic acid (ICA were investigated in six Brazilian (BRA soils and three United States (USA soils with different physicochemical properties. The Freundlich equation described sorption of the metabolites for all soils (R2 > 0.98; 1/n ~ 1. Sorption order (Kf was ITI > ICA > FDAT. Mean values of Kf,oc were 453, 289, and 81 (BRA and 444, 48, and 48 (USA for metabolites ITI, ICA, and FDAT respectively. Desorption was hysteretic for all metabolites in all soils. These results suggest that these metabolites fall in the classification range of mobile to moderately mobile in soils.

Formation of Multiple-Phase Catalysts for the Hydrogen Storage of Mg Nanoparticles by Adding Flowerlike NiS.

Science.gov (United States)

Xie, Xiubo; Ma, Xiujuan; Liu, Peng; Shang, Jiaxiang; Li, Xingguo; Liu, Tong

2017-02-22

In order to enhance the hydrogen storage properties of Mg, flowerlike NiS particles have been successfully prepared by solvothermal reaction method, and are subsequently ball milled with Mg nanoparticles (NPs) to fabricate Mg-5 wt % NiS nanocomposite. The nanocomposite displays Mg/NiS core/shell structure. The NiS shell decomposes into Ni, MgS and Mg 2 Ni multiple-phases, decorating on the surface of the Mg NPs after the first hydrogen absorption and desorption cycle at 673 K. The Mg-MgS-Mg 2 Ni-Ni nanocomposite shows enhanced hydrogenation and dehydrogenation rates: it can quickly uptake 3.5 wt % H 2 within 10 min at 423 K and release 3.1 wt % H 2 within 10 min at 573 K. The apparent hydrogen absorption and desorption activation energies are decreased to 45.45 and 64.71 kJ mol -1 . The enhanced sorption kinetics of the nanocomposite is attributed to the synergistic catalytic effects of the in situ formed MgS, Ni and Mg 2 Ni multiple-phase catalysts during the hydrogenation/dehydrogenation process, the porthole effects for the volume expansion and microstrain of the phase transformation of Mg 2 Ni and Mg 2 NiH 4 and the reduced hydrogen diffusion distance caused by nanosized Mg. This novel method of in situ producing multiple-phase catalysts gives a new horizon for designing high performance hydrogen storage material.

Spectroscopic studies of hydrogen collisions

International Nuclear Information System (INIS)

Kielkopf, J.

1991-01-01

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

Inelastic surface collisions and the desorption of massive molecular ions

Energy Technology Data Exchange (ETDEWEB)

Macfarlane, R D [Texas A and M Univ., College Station (USA). Dept. of Chemistry

1983-01-01

The interaction of high energy ions in the region of electronic stopping (1 MeV u/sup -1/) stimulates the desorption of massive molecular ions of biomolecules such as insulin. The experimental details of the measurements are given with some examples of application for analytical mass spectrometry. Studies on the role of the incident ion (accelerator beam experiments) are reviewed as well as the contribution of the matrix to the desorption-ionization process. How the electronic relaxation process couples to desorption-ionization is a central question in understanding the overall mechanism of the process.

Insight to the Thermal Decomposition and Hydrogen Desorption Behaviors of NaNH2-NaBH4 Hydrogen Storage Composite.

Science.gov (United States)

Pei, Ziwei; Bai, Ying; Wang, Yue; Wu, Feng; Wu, Chuan

2017-09-20

The lightweight compound material NaNH 2 -NaBH 4 is regarded as a promising hydrogen storage composite due to the high hydrogen density. Mechanical ball milling was employed to synthesize the composite NaNH 2 -NaBH 4 (2/1 molar ratio), and the samples were investigated utilizing thermogravimetric-differential thermal analysis-mass spectroscopy (TG-DTA-MS), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR) analyses. The full-spectrum test (range of the ratio of mass to charge: 0-200) shows that the released gaseous species contain H 2 , NH 3 , B 2 H 6 , and N 2 in the heating process from room temperature to 400 °C, and possibly the impurity gas B 6 H 12 also exists. The TG/DTA analyses show that the composite NaNH 2 -NaBH 4 (2/1 molar ratio) is conductive to generate hydrogen so that the dehydrogenation process can be finished before 400 °C. Moreover, the thermal decomposition process from 200 to 400 °C involves two-step dehydrogenation reactions: (1) Na 3 (NH 2 ) 2 BH 4 hydride decomposes into Na 3 BN 2 and H 2 (200-350 °C); (2) remaining Na 3 (NH 2 ) 2 BH 4 reacts with NaBH 4 and Na 3 BN 2 , generating Na, BN, NH 3 , N 2 , and H 2 (350-400 °C). The better mechanism understanding of the thermal decomposition pathway lays a foundation for tailoring the hydrogen storage performance of the composite complex hydrides system.

Hydrogen absorption properties of U6Mn and U6Ni

International Nuclear Information System (INIS)

Ito, H.; Yamawaki, M.; Yamamoto, T.

1998-01-01

The hydrogen absorption properties of U, U 6 Mn and U 6 Ni were investigated at hydrogen pressures below 10 5 Pa. The pressure-composition (P-C) isotherms of U, U 6 Mn and U 6 Ni were obtained and the amounts of absorbed hydrogen for U, U 6 Mn and U 6 Ni were determined to be 3, 16.6 and 16.0 for x in MH x , where M is U, U 6 Mn and U 6 Ni, respectively. The desorption plateau pressures at 573 K decreased in the order: U 6 Mn-H>U 6 Ni-H>U-H. In addition, the results for the amounts of absorbed hydrogen suggests the formation of ternary hydrides U 6 MnH 18 and U 6 NiH 14 . (orig.)

Initial screening of thermal desorption for soil remediation

International Nuclear Information System (INIS)

Yezzi, J.J. Jr.; Tafuri, A.N.; Rosenthal, S.; Troxler, W.L.

1994-01-01

Petroleum-contaminated soils--caused by spills, leaks, and accidental discharges--exist at many sites throughout the United States. Thermal desorption technologies which are increasingly being employed to treat these soils, have met soil cleanup criteria for a variety of petroleum products. Currently the United States Environmental Protection Agency is finalizing a technical report entitled Use of Thermal Desorption for Treating Petroleum-Contaminated Soils to assist remedial project managers, site owners, remediation contractors, and equipment vendors in evaluating the use of thermal desorption technologies for petroleum-contaminated soil applications. The report will present a three-level screening method to help a reader predict the success of applying thermal desorption at a specific site. The objective of screening level one is to determine the likelihood of success in a specific application of thermal desorption. It will take into account procedures for collecting and evaluating data on site characteristics, contaminant characteristics, soil characteristics, and regulatory requirements. This level will establish whether or not thermal desorption should be evaluated further for site remediation, whether treatment should occur on-site or off-site, and if on-site is a viable option, what system size will be most cost-effective. The scope of this paper addresses only screening level one which provides a preliminary assessment of the applicability of thermal desorption to a particular site. This topic encompasses worksheets that are an integral part of the ''user friendly'' screening process. Level one screening provides a foundation for the subsequent two levels which follow a similar ''user friendly'' worksheet approach to evaluating thermal desorption technologies and establishing costs for thermal desorption in an overall remediation project

Impact of neutron irradiation on thermal helium desorption from iron

Energy Technology Data Exchange (ETDEWEB)

Hu, Xunxiang, E-mail: hux1@ornl.gov [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Field, Kevin G. [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Taller, Stephen [University of Michigan, Ann Arbor, MI 48109 (United States); Katoh, Yutai [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Wirth, Brian D. [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); University of Tennessee, Knoxville, TN 37996 (United States)

2017-06-15

The synergistic effect of neutron irradiation and transmutant helium production is an important concern for the application of iron-based alloys as structural materials in fission and fusion reactors. In this study, we investigated the impact of neutron irradiation on thermal helium desorption behavior in high purity iron. Single crystalline and polycrystalline iron samples were neutron irradiated in HFIR to 5 dpa at 300 °C and in BOR-60 to 16.6 dpa at 386 °C, respectively. Following neutron irradiation, 10 keV He ion implantation was performed at room temperature on both samples to a fluence of 7 × 10{sup 18} He/m{sup 2}. Thermal desorption spectrometry (TDS) was conducted to assess the helium diffusion and clustering kinetics by analyzing the desorption spectra. The comparison of He desorption spectra between unirradiated and neutron irradiated samples showed that the major He desorption peaks shift to higher temperatures for the neutron-irradiated iron samples, implying that strong trapping sites for He were produced during neutron irradiation, which appeared to be nm-sized cavities through TEM examination. The underlying mechanisms controlling the helium trapping and desorption behavior were deduced by assessing changes in the microstructure, as characterized by TEM, of the neutron irradiated samples before and after TDS measurements.

High surface area niobium oxides as catalysts for improved hydrogen sorption properties of ball milled MgH2

International Nuclear Information System (INIS)

Bhat, V.V.; Rougier, A.; Aymard, L.; Nazri, G.A.; Tarascon, J.-M.

2008-01-01

We report, high surface area (up to 200 m 2 /g) nanocrystalline niobium oxide (so called p-Nb 2 O 5 ) synthesized by 'chimie douce' route and its importance in enhancing the hydrogen sorption properties of MgH 2 . p-Nb 2 O 5 induces faster kinetics than commonly used commercial Nb 2 O 5 (c-Nb 2 O 5 ) when ball milled with MgH 2 (named (MgH 2 ) catalyst ) by reducing the time of desorption from 35 min in (MgH 2 ) c-Nb 2 O 5 to 12 min in (MgH 2 ) p-Nb 2 O 5 at 300 deg. C. The BET surface area of as-prepared Nb 2 O 5 was tuned by heat treatment and its effect on sorption properties was studied. Among them, both p-Nb 2 O 5 and Nb 2 O 5 :350 (p-Nb 2 O 5 heated to 350 deg. C with a BET specific surface area of 46 m 2 /g) desorb 5 wt.% within 12 min, exhibiting the best catalytic activity. Furthermore, thanks to the addition of high surface area Nb 2 O 5 , the desorption temperature was successfully lowered down to 200 deg. C, with a significant amount of desorbed hydrogen (4.5 wt.%). In contrast, the composite (MgH 2 ) c-Nb 2 O 5 shows no desorption at this 'low' temperature

Adsorption and desorption dynamics of citric acid anions in soil

KAUST Repository

Oburger, E.

2011-07-26

The functional role of organic acid anions in soil has been intensively investigated, with special focus on (i) microbial respiration and soil carbon dynamics, (ii) nutrient solubilization or (iii) metal detoxification and reduction of plant metal uptake. Little is known about the interaction dynamics of organic acid anions with the soil matrix and the potential impact of adsorption and desorption processes on the functional significance of these effects. The aim of this study was to characterize experimentally the adsorption and desorption dynamics of organic acid anions in five agricultural soils differing in iron and aluminium oxide contents and using citrate as a model carboxylate. Results showed that both adsorption and desorption processes were fast in all soils, reaching a steady state within approximately 1 hour. However, for a given total soil citrate concentration (ct) the steady state was critically dependent on the starting conditions of the experiment, whether most of the citrate was initially present in solution (cl) or held on the solid phase (cs). Specifically, desorption-led processes resulted in significantly smaller steady-state solution concentrations than adsorption-led processes, indicating that hysteresis occurred. As it is not possible to distinguish between different adsorption and desorption pools in soil experimentally, a new dynamic hysteresis model that relies only on measured soil solution concentrations was developed. The model satisfactorily explained experimental data and was able to predict dynamic adsorption and desorption behaviour. To demonstrate its use, we applied the model to two relevant situations involving exudation and microbial degradation. The study highlighted the complex nature of citrate adsorption and desorption dynamics in soil. We conclude that existing models need to incorporate both temporal and hysteresis components to describe realistically the role and fate of organic acids in soil processes. © 2011 The

Hydrogen storage in MgH2 - LaNi5 nanocomposites produced by cold rolling under inert atmosphere

International Nuclear Information System (INIS)

Marquez, J.J.; Silva, W.B.; Leiva, D.R.; Ishikawa, T.T.; Kiminami, C.S.; Botta, W.J.; Floriano, R.

2016-01-01

In this study, the effects of the addition of LaNi5 in magnesium hydride H-sorption/desorption behavior was addressed. MgH 2 - X mol.% LaNi 5 (X=0.67; 1.50 and 2.54) mixtures were processed by cold rolling (CR) inside a glove box under controlled atmosphere, with oxygen and moisture contents below 0.1 ppm. Structural characterization showed that during the H-absorption/desorption cycles, a mixture of phases consisting of MgH 2 , LaH 3 and Mg 2 NiH 4 is formed, which has an important role in the hydrogen storage kinetic properties. The mixture MgH 2 -1.50 mol.% LaNi 5 was able to absorb/desorb 4.0 wt.% H 2 in less than 15 min at 100 and 280 °C respectively. The DSC analysis showed that the LaNi 5 additive lowers the temperature at which the H-desorption starts in cold rolled MgH 2 by around 50 °C. (author)

Catalyzed Nano-Framework Stablized High Density Reversible Hydrogen Storage Systems

Energy Technology Data Exchange (ETDEWEB)

Tang, Xia [value too long for type character varying(50); Opalka, Susanne M.; Mosher, Daniel A; Laube, Bruce L; Brown, Ronald J; Vanderspurt, Thomas H; Arsenault, Sarah; Wu, Robert; Strickler, Jamie; Ronnebro, Ewa; Boyle, Tim; Cordaro, Joseph

2010-06-30

A wide range of high capacity on-board rechargeable material candidates have exhibited non-ideal behavior related to irreversible hydrogen discharge / recharge behavior, and kinetic instability or retardation. This project addresses these issues by incorporating solvated and other forms of complex metal hydrides, with an emphasis on borohydrides, into nano-scale frameworks of low density, high surface area skeleton materials to stabilize, catalyze, and control desorption product formation associated with such complex metal hydrides. A variety of framework chemistries and hydride / framework combinations were investigated to make a relatively broad assessment of the method's potential. In this project, the hydride / framework interactions were tuned to decrease desorption temperatures for highly stable compounds or increase desorption temperatures for unstable high capacity compounds, and to influence desorption product formation for improved reversibility. First principle modeling was used to explore heterogeneous catalysis of hydride reversibility by modeling H₂ dissociation, hydrogen migration, and rehydrogenation. Atomic modeling also demonstrated enhanced NaTi(BH₄)₄ stabilization at nano-framework surfaces modified with multi-functional agents. Amine multi-functional agents were found to have more balanced interactions with nano-framework and hydride clusters than other functional groups investigated. Experimentation demonstrated that incorporation of Ca(BH₄)₂ and Mg(BH₄)₂ in aerogels enhanced hydride desorption kinetics. Carbon aerogels were identified as the most suitable nano-frameworks for hydride kinetic enhancement and high hydride loading. High loading of NaTi(BH₄)₄ ligand complex in SiO₂ aerogel was achieved and hydride stability was improved with the aerogel. Although improvements of desorption kinetics was observed, the incorporation of

Hydrogen embrittlement property of a 1700-MPa-class ultrahigh-strength tempered martensitic steel

Energy Technology Data Exchange (ETDEWEB)

Li Songjie; Zhang Boping [School of Materials Science and Engineering, University of Science and Technology Beijing, No. 30 Xueyuan Road, Hidian Zone, Beijing 100083 (China); Akiyama, Eiji; Yuuji, Kimura; Tsuzaki, Kaneaki [Structural Metals Center, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Uno, Nobuyoshi, E-mail: AKIYAMA.Eiji@nims.go.j [Nippon Steel and Sumikin Metal Products Co, Ltd, SA Bldg., 17-12 Kiba 2-chome, Koto-ku, Tokyo (Japan)

2010-04-15

The hydrogen embrittlement property of a prototype 1700-MPa-class ultrahigh-strength steel (NIMS17) containing hydrogen traps was evaluated using a slow strain rate test (SSRT) after cathodic hydrogen precharging, cyclic corrosion test (CCT) and atmospheric exposure. The hydrogen content in a fractured specimen was measured after SSRT by thermal desorption spectroscopy (TDS). The relationship between fracture stress and hydrogen content for the hydrogen-precharged specimens showed that the fracture stress of NIMS17 steel was higher, at a given hydrogen content, than that of conventional AISI 4135 steels with tensile strengths of 1300 and 1500 MPa. This suggests better resistance of NIMS17 steel to hydrogen embrittlement. However, hydrogen uptake to NIMS17 steel under CCT and atmospheric exposure decreased the fracture stress. This is because of the stronger hydrogen uptake to the steel containing hydrogen traps than to the AISI 4135 steels. Although NIMS17 steel has a higher strength level than AISI 4135 steel with a tensile strength of 1500 MPa, the decrease in fracture stress is similar between these steels.