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Sample records for ternary metal hydride

  1. Alkali metal hydride formation

    International Nuclear Information System (INIS)

    1976-01-01

    The present invention relates to a method of producing alkali metal hydrides by absorbing hydrogen gas under pressure into a mixture of lower alkyl mono amines and alkali metal alkyl amides selected from sodium and potassium amides formed from said amines. The present invention also includes purification of a mixture of the amines and amides which contain impurities, such as is used as a catalytic exchange liquid in the enrichment of deuterium, involving the formation of the alkali metal hydride

  2. Predicting formation enthalpies of metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Andreasen, A.

    2004-12-01

    In order for the hydrogen based society viz. a society in which hydrogen is the primary energy carrier to become realizable an efficient way of storing hydrogen is required. For this purpose metal hydrides are serious candidates. Metal hydrides are formed by chemical reaction between hydrogen and metal and for the stable hydrides this is associated with release of heat ({delta}H{sub f} ). The more thermodynamically stable the hydride, the larger {delta}H{sub f}, and the higher temperature is needed in order to desorp hydrogen (reverse reaction) and vice versa. For practical application the temperature needed for desorption should not be too high i.e. {delta}H{sub f} should not be too large. If hydrogen desorption is to be possible below 100 deg C (which is the ultimate goal if hydrogen storage in metal hydrides should be used in conjunction with a PEM fuel cell), {delta}H{sub f} should not exceed -48 kJ/mol. Until recently only intermetallic metal hydrides with a storage capacity less than 2 wt.% H{sub 2} have met this criterion. However, discovering reversible hydrogen storage in complex metal hydrides such as NaAlH{sub 4} (5.5 wt. % reversible hydrogen capacity) have revealed a new group of potential candiates. However, still many combination of elements from the periodic table are yet to be explored. Since experimental determination of thermodynamic properties of the vast combinations of elements is tedious it may be advantagous to have a predictive tool for this task. In this report different ways of predicting {delta}H{sub f} for binary and ternary metal hydrides are reviewed. Main focus will be on how well these methods perform numerically i.e. how well experimental results are resembled by the model. The theoretical background of the different methods is only briefly reviewed. (au)

  3. Air and metal hydride battery

    Energy Technology Data Exchange (ETDEWEB)

    Lampinen, M.; Noponen, T. [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Applied Thermodynamics

    1998-12-31

    The main goal of the air and metal hydride battery project was to enhance the performance and manufacturing technology of both electrodes to such a degree that an air-metal hydride battery could become a commercially and technically competitive power source for electric vehicles. By the end of the project it was possible to demonstrate the very first prototype of the air-metal hydride battery at EV scale, achieving all the required design parameters. (orig.)

  4. New ternary hydride formation in U-Ti-H system

    International Nuclear Information System (INIS)

    Yamamoto, Takuya; Kayano, Hideo; Yamawaki, Michio.

    1991-01-01

    Hydrogen absorption properties of two titanium-rich uranium alloys, UTi 2 and UTi 4 , were studied in order to prepare and identify the recently found ternary hydride. They slowly reacted with hydrogen of the initial pressure of 10 5 Pa at 873K to form the ternary hydride. The hydrogenated specimen mainly consisted of the pursued ternary hydride but contained also U(or UO 2 ), TiH x , and some transient phases. X-ray powder diffraction and Electron Probe Micro Analysis proved that it was the UTi 2 H x with the expected MgCu 2 structure, though all the X-ray peaks were broad probably because of inhomogeneity. This compound had extremely high resistance to powdering on its formation, which showed high potential utilities for a non-powdering tritium storage system or for other purposes. (author)

  5. Hydriding of metallic thorium

    International Nuclear Information System (INIS)

    Miyake, Masanobu; Katsura, Masahiro; Matsuki, Yuichi; Uno, Masayoshi

    1983-01-01

    Powdered thorium is usually prepared through a combination of hydriding and dehydriding processes of metallic thorium in massive form, in which the hydriding process consists of two steps: the formation of ThH 2 , and the formation of Th 4 H 15 . However, little has yet been known as to on what stage of hydriding process the pulverization takes place. It is found in the present study that the formation of Th 4 H 15 by the reaction of ThH 2 with H 2 is responsible for pulverization. Temperature of 70 deg C adopted in this work for the reaction of formation Th 4 H 15 seems to be much more effective for production of powdered thorium than 200 - 300 deg C in the literature. The pressure-composition-temperature relationships for Th-H system are determined at 200, 300, 350, and 800 deg C. From these results, a tentative equilibrium phase diagram for the Th-H system is proposed, attention being focused on the two-phase region of ThH 2 and Th 4 H 15 . Pulverization process is discussed in terms of the tentative phase diagram. (author)

  6. Electronic structure of ternary hydrides based on light elements

    Energy Technology Data Exchange (ETDEWEB)

    Orgaz, E. [Departamento de Fisica y Quimica Teorica, Facultad de Quimica, Universidad Nacional Autonoma de Mexico, CP 04510 Coyoacan, Mexico, D.F. (Mexico)]. E-mail: orgaz@eros.pquim.unam.mx; Membrillo, A. [Departamento de Fisica y Quimica Teorica, Facultad de Quimica, Universidad Nacional Autonoma de Mexico, CP 04510 Coyoacan, Mexico, D.F. (Mexico); Castaneda, R. [Departamento de Fisica y Quimica Teorica, Facultad de Quimica, Universidad Nacional Autonoma de Mexico, CP 04510 Coyoacan, Mexico, D.F. (Mexico); Aburto, A. [Departamento de Fisica, Facultad de Ciencias, Universidad Nacional Autonoma de Mexico, CP 04510 Coyoacan, Mexico, D.F. (Mexico)

    2005-12-08

    Ternary hydrides based on light elements are interesting owing to the high available energy density. In this work we focused into the electronic structure of a series of known systems having the general formula AMH{sub 4}(A=Li,Na,M=B,Al). We computed the energy bands and the total and partial density of states using the linear-augmented plane waves method. In this report, we discuss the chemical bonding in this series of complex hydrides.

  7. Metal Hydride Compression

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Terry A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Bowman, Robert [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Smith, Barton [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Anovitz, Lawrence [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jensen, Craig [Hawaii Hydrogen Carriers LLC, Honolulu, HI (United States)

    2017-07-01

    Conventional hydrogen compressors often contribute over half of the cost of hydrogen stations, have poor reliability, and have insufficient flow rates for a mature FCEV market. Fatigue associated with their moving parts including cracking of diaphragms and failure of seal leads to failure in conventional compressors, which is exacerbated by the repeated starts and stops expected at fueling stations. Furthermore, the conventional lubrication of these compressors with oil is generally unacceptable at fueling stations due to potential fuel contamination. Metal hydride (MH) technology offers a very good alternative to both conventional (mechanical) and newly developed (electrochemical, ionic liquid pistons) methods of hydrogen compression. Advantages of MH compression include simplicity in design and operation, absence of moving parts, compactness, safety and reliability, and the possibility to utilize waste industrial heat to power the compressor. Beyond conventional H2 supplies of pipelines or tanker trucks, another attractive scenario is the on-site generating, pressuring and delivering pure H2 at pressure (≥ 875 bar) for refueling vehicles at electrolysis, wind, or solar generating production facilities in distributed locations that are too remote or widely distributed for cost effective bulk transport. MH hydrogen compression utilizes a reversible heat-driven interaction of a hydride-forming metal alloy with hydrogen gas to form the MH phase and is a promising process for hydrogen energy applications [1,2]. To deliver hydrogen continuously, each stage of the compressor must consist of multiple MH beds with synchronized hydrogenation & dehydrogenation cycles. Multistage pressurization allows achievement of greater compression ratios using reduced temperature swings compared to single stage compressors. The objectives of this project are to investigate and demonstrate on a laboratory scale a two-stage MH hydrogen (H2) gas compressor with a

  8. Metal hydride compositions and lithium ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Young, Kwo; Nei, Jean

    2018-04-24

    Heterogeneous metal hydride (MH) compositions comprising a main region comprising a first metal hydride and a secondary region comprising one or more additional components selected from the group consisting of second metal hydrides, metals, metal alloys and further metal compounds are suitable as anode materials for lithium ion cells. The first metal hydride is for example MgH.sub.2. Methods for preparing the composition include coating, mechanical grinding, sintering, heat treatment and quenching techniques.

  9. Anodematerials for Metal Hydride Batteries

    DEFF Research Database (Denmark)

    Jensen, Jens Oluf

    1997-01-01

    This report describes the work on development of hydride forming alloys for use as electrode materials in metal hydride batteries. The work has primarily been concentrated on calcium based alloys derived from the compound CaNi5. This compound has a higher capacity compared with alloys used in today......’s hydride batteries, but a much poorer stability towards repeated charge/discharge cycling. The aim was to see if the cycleability of CaNi5 could be enhanced enough by modifications to make the compound a suitable electrode material. An alloying method based on mechanical alloying in a planetary ball mill...

  10. Tritium processing using metal hydrides

    International Nuclear Information System (INIS)

    Mallett, M.W.

    1986-01-01

    E.I. duPont de Nemours and Company is commissioned by the US Department of Energy to operate the Savannah River Plant and Laboratory. The primary purpose of the plant is to produce radioactive materials for national defense. In keeping with current technology, new processes for the production of tritium are being developed. Three main objectives of this new technology are to ease the processing of, ease the storage of, and to reduce the operating costs of the tritium production facility. Research has indicated that the use of metal hydrides offers a viable solution towards satisfying these objectives. The Hydrogen and Fuels Technology Division has the responsibility to conduct research in support of the tritium production process. Metal hydride technology and its use in the storage and transportation of hydrogen will be reviewed

  11. Complex metal hydrides

    DEFF Research Database (Denmark)

    Ley, Morten Brix

    2014-01-01

    og batterier de to mest lovende energibærere til mobile applikationer. Komplekse metalhydrider er blevet undersøgt i vid udstrækning over de sidste tyve år, siden de gravimetrisk og volumetrisk kan indeholde store mængder brint. Derfor er metal borhydrider velegnet til faststofopbevaring af brint...

  12. Rechargeable metal hydrides for spacecraft application

    Science.gov (United States)

    Perry, J. L.

    1988-01-01

    Storing hydrogen on board the Space Station presents both safety and logistics problems. Conventional storage using pressurized bottles requires large masses, pressures, and volumes to handle the hydrogen to be used in experiments in the U.S. Laboratory Module and residual hydrogen generated by the ECLSS. Rechargeable metal hydrides may be competitive with conventional storage techniques. The basic theory of hydride behavior is presented and the engineering properties of LaNi5 are discussed to gain a clear understanding of the potential of metal hydrides for handling spacecraft hydrogen resources. Applications to Space Station and the safety of metal hydrides are presented and compared to conventional hydride storage. This comparison indicates that metal hydrides may be safer and require lower pressures, less volume, and less mass to store an equivalent mass of hydrogen.

  13. Metal Hydrides for Rechargeable Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Valoeen, Lars Ole

    2000-03-01

    Rechargeable battery systems are paramount in the power supply of modern electronic and electromechanical equipment. For the time being, the most promising secondary battery systems for the future are the lithium-ion and the nickel metal hydride (NiMH) batteries. In this thesis, metal hydrides and their properties are described with the aim of characterizing and improving those. The thesis has a special focus on the AB{sub 5} type hydrogen storage alloys, where A is a rare earth metal like lanthanum, or more commonly misch metal, which is a mixture of rare earth metals, mainly lanthanum, cerium, neodymium and praseodymium. B is a transition metal, mainly nickel, commonly with additions of aluminium, cobalt, and manganese. The misch metal composition was found to be very important for the geometry of the unit cell in AB{sub 5} type alloys, and consequently the equilibrium pressure of hydrogen in these types of alloys. The A site substitution of lanthanum by misch metal did not decrease the surface catalytic properties of AB{sub 5} type alloys. B-site substitution of nickel with other transition elements, however, substantially reduced the catalytic activity of the alloy. If the internal pressure within the electrochemical test cell was increased using inert argon gas, a considerable increase in the high rate charge/discharge performance of LaNi{sub 5} was observed. An increased internal pressure would enable the utilisation of alloys with a high hydrogen equivalent pressure in batteries. Such alloys often have favourable kinetics and high hydrogen diffusion rates and thus have a potential for improving the high current discharge rates in metal hydride batteries. The kinetic properties of metal hydride electrodes were found to improve throughout their lifetime. The activation properties were found highly dependent on the charge/discharge current. Fewer charge/discharge cycles were needed to activate the electrodes if a small current was used instead of a higher

  14. The status and immediate problems of the chemistry of transition metal hydrides

    International Nuclear Information System (INIS)

    Meikheeva, V.I.

    1978-01-01

    The state of the art and perspectives of the chemistry transition metal hydrides are reviewed, the hydrides being essentially compounds with interstitial hydrogen in the crystal lattice of the metals. The possibilities of hydrogenation of transition metals are considered along with that of compounds of rare earth elements with metals of the iron family. It is shown that the products of hydrogenation of many alloys are unstable and disintegrate forming simpler hydrides. The phase diagram of La-Ni-H system resembles the isotherm of a ternary metal system with the difference that no continuous series of solid solutions is formed. Most hydrogenation products across LaHsub(2-3)-NiH are X-ray amorphous. The nature of hydrogen in hydrides is discussed along with the possibilities of synthesis of new hydrides of transition metals

  15. Method of making alkali metal hydrides

    Science.gov (United States)

    Pecharsky, Vitalij K.; Gupta, Shalabh; Pruski, Marek; Hlova, Ihor; Castle, Andra

    2017-05-30

    A method is provided for making alkali metal hydrides by mechanochemically reacting alkali metal and hydrogen gas under mild temperature (e.g room temperature) and hydrogen pressure conditions without the need for catalyst, solvent, and intentional heating or cooling.

  16. Disposal of tritium-exposed metal hydrides

    International Nuclear Information System (INIS)

    Nobile, A.; Motyka, T.

    1991-01-01

    A plan has been established for disposal of tritium-exposed metal hydrides used in Savannah River Site (SRS) tritium production or Materials Test Facility (MTF) R ampersand D operations. The recommended plan assumes that the first tritium-exposed metal hydrides will be disposed of after startup of the Solid Waste Disposal Facility (SWDF) Expansion Project in 1992, and thus the plan is consistent with the new disposal requiremkents that will be in effect for the SWDF Expansion Project. Process beds containing tritium-exposed metal hydride powder will be disposed of without removal of the powder from the bed; however, disposal of tritium-exposed metal hydride powder that has been removed from its process vessel is also addressed

  17. A procedure for preparing alkali metal hydrides

    International Nuclear Information System (INIS)

    Lemieux, R.U.; Sanford, C.E.; Prescott, J.F.

    1976-01-01

    A plain low cost, procedure for the continuous, low temperature preparation of sodium or potassium hydrides using cheap reagents is presented. Said invention is especially concerned with a process of purifying of a catalytic exchange liquid used for deuterium enrichment, in which an alkali metal hydride is produced as intermediate product. The procedure for producing the sodium and potassium hydrides consists in causing high pressure hydrogen to be absorbed by a mixture of at least a lower monoalkylamine and an alkylamide of an alkali metal from at least one of said amines [fr

  18. Structure of the novel ternary hydrides Li4Tt2D (Tt=Si and Ge)

    International Nuclear Information System (INIS)

    Wu Hui; Rush, J.J.; Maryland Univ., College Park, MD; Hartman, M.R.; Oregon State Univ., Corvallis, OR; Udovic, T.J.; Zhou Wei; Pennsylvania Univ., Philadelphia, PA; Bowman, R.C. Jr.; Vajo, J.J.

    2007-01-01

    The crystal structures of newly discovered Li 4 Ge 2 D and Li 4 Si 2 D ternary phases were solved by direct methods using neutron powder diffraction data. Both structures can be described using a Cmmm orthorhombic cell with all hydrogen atoms occupying Li 6 -octahedral interstices. The overall crystal structure and the geometry of these interstices are compared with those of other related phases, and the stabilization of this novel class of ternary hydrides is discussed. (orig.)

  19. The Production of Uranium Metal by Metal Hydrides Incorporated

    Energy Technology Data Exchange (ETDEWEB)

    Alexander, P. P.

    1943-01-01

    Metal Hydrides Incorporated was a pioneer in the production of uranium metal on a commercial scale and supplied it to all the laboratories interested in the original research, before other methods for its production were developed. Metal Hydrides Inc. supplied the major part of the metal for the construction of the first experimental pile which, on December 2, 1942, demonstrated the feasibility of the self-sustaining chain reaction and the release of atomic energy.

  20. Are RENiAl hydrides metallic?

    Czech Academy of Sciences Publication Activity Database

    Eichinger, K.; Havela, L.; Prokleška, J.; Stelmakhovych, O.; Daniš, S.; Šantavá, Eva; Miliyanchuk, K.

    2009-01-01

    Roč. 100, č. 9 (2009), s. 1200-1202 ISSN 1862-5282 Grant - others:GA ČR(CZ) GA202/07/0418 Institutional research plan: CEZ:AV0Z10100520 Keywords : rare earth metals * magnetism * hydrides Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.862, year: 2009

  1. Hydrogen isotope exchange in metal hydride columns

    International Nuclear Information System (INIS)

    Wiswall, R.; Reilly, J.; Bloch, F.; Wirsing, E.

    1977-01-01

    Several metal hydrides were shown to act as chromatographic media for hydrogen isotopes. The procedure was to equilibrate a column of hydride with flowing hydrogen, inject a small quantity of tritium tracer, and observe its elution behavior. Characteristic retention times were found. From these and the extent of widening of the tritium band, the heights equivalent to a theoretical plate could be calculated. Values of around 1 cm were obtained. The following are the metals whose hydrides were studied, together with the temperature ranges in which chromatographic behavior was observed: vanadium, 0 to 70 0 C; zirconium, 500 to 600 0 C; LaNi 5 , -78 to +30 0 C; Mg 2 Ni, 300 to 375 0 C; palladium, 0 to 70 0 C. A dual-temperature isotope separation process based on hydride chromatography was demonstrated. In this, a column was caused to cycle between two temperatures while being supplied with a constant stream of tritium-traced hydrogen. Each half-cycle was continued until ''breakthrough,'' i.e., until the tritium concentration in the effluent was the same as that in the feed. Up to that point, the effluent was enriched or depleted in tritium, by up to 20%

  2. Tritium immobilization and packaging using metal hydrides

    International Nuclear Information System (INIS)

    Holtslander, W.J.; Yaraskavitch, J.M.

    1981-04-01

    Tritium recovered from CANDU heavy water reactors will have to be packaged and stored in a safe manner. Tritium will be recovered in the elemental form, T 2 . Metal tritides are effective compounds in which to immobilize the tritium as a stable non-reactive solid with a high tritium capacity. The technology necessary to prepare hydrides of suitable metals, such as titanium and zirconium, have been developed and the properties of the prepared materials evaluated. Conceptual designs of packages for containing metal tritides suitable for transportation and long-term storage have been made and initial testing started. (author)

  3. Superconducting state parameters of ternary metallic glasses

    Indian Academy of Sciences (India)

    Administrator

    to binary metallic glasses. They are of interest since third element can modify the physical properties of binary metallic glasses and can also be used as a probe to study the host. ..... conducting nature in the present case. When we. Figure 6. Variation of transition temperature (TC) with valance (Z) of ternary metallic glasses.

  4. Metal hydrides for hydrogen storage in nickel hydrogen batteries

    International Nuclear Information System (INIS)

    Bittner, H.F.; Badcock, C.C.; Quinzio, M.V.

    1984-01-01

    Metal hydride hydrogen storage in nickel hydrogen (Ni/H 2 ) batteries has been shown to increase battery energy density and improve battery heat management capabilities. However the properties of metal hydrides in a Ni/H 2 battery environment, which contains water vapor and oxygen in addition to the hydrogen, have not been well characterized. This work evaluates the use of hydrides in Ni/H 2 batteries by fundamental characterization of metal hydride properties in a Ni/H 2 cell environment. Hydrogen sorption properties of various hydrides have been measured in a Ni/H 2 cell environment. Results of detailed thermodynamic and kinetic studies of hydrogen sorption in LaNi 5 in a Ni/H 2 cell environment are presented. Long-term cycling studies indicate that degradation of the hydride can be minimized by cycling between certain pressure limits. A model describing the mechanism of hydride degradation is presented

  5. The electrochemical impedance of metal hydride electrodes

    DEFF Research Database (Denmark)

    Valøen, Lars Ole; Lasia, Andrzej; Jensen, Jens Oluf

    2002-01-01

    The electrochemical impedance responses for different laboratory type metal hydride electrodes were successfully modeled and fitted to experimental data for AB5 type hydrogen storage alloys as well as one MgNi type electrode. The models fitted the experimental data remarkably well. Several AC......, explaining the experimental impedances in a wide frequency range for electrodes of hydride forming materials mixed with copper powder, were obtained. Both charge transfer and spherical diffusion of hydrogen in the particles are important sub processes that govern the total rate of the electrochemical...... hydrogen absorption/desorption reaction. To approximate the experimental data, equations describing the current distribution in porous electrodes were needed. Indications of one or more parallel reduction/oxidation processes competing with the electrochemical hydrogen absorption/desorption reaction were...

  6. NATO Advanced Study Institute on Metal Hydrides

    CERN Document Server

    1981-01-01

    In the last five years, the study of metal hydrides has ex­ panded enormously due to the potential technological importance of this class of materials in hydrogen based energy conversion schemes. The scope of this activity has been worldwide among the industrially advanced nations. There has been a consensus among researchers in both fundamental and applied areas that a more basic understanding of the properties of metal/hydrogen syster;,s is required in order to provide a rational basis for the selection of materials for specific applications. The current worldwide need for and interest in research in metal hydrides indicated the timeliness of an Advanced Study Insti­ tute to provide an in-depth view of the field for those active in its various aspects. The inclusion of speakers from non-NATO coun­ tries provided the opportunity for cross-fertilization of ideas for future research. While the emphasis of the Institute was on basic properties, there was a conscious effort to stimulate interest in the applic...

  7. Metal hydrides based high energy density thermal battery

    International Nuclear Information System (INIS)

    Fang, Zhigang Zak; Zhou, Chengshang; Fan, Peng; Udell, Kent S.; Bowman, Robert C.; Vajo, John J.; Purewal, Justin J.; Kekelia, Bidzina

    2015-01-01

    Highlights: • The principle of the thermal battery using advanced metal hydrides was demonstrated. • The thermal battery used MgH 2 and TiMnV as a working pair. • High energy density can be achieved by the use of MgH 2 to store thermal energy. - Abstract: A concept of thermal battery based on advanced metal hydrides was studied for heating and cooling of cabins in electric vehicles. The system utilized a pair of thermodynamically matched metal hydrides as energy storage media. The pair of hydrides that was identified and developed was: (1) catalyzed MgH 2 as the high temperature hydride material, due to its high energy density and enhanced kinetics; and (2) TiV 0.62 Mn 1.5 alloy as the matching low temperature hydride. Further, a proof-of-concept prototype was built and tested, demonstrating the potential of the system as HVAC for transportation vehicles

  8. Process for production of a metal hydride

    Science.gov (United States)

    Allen, Nathan Tait; Butterick, III, Robert; Chin, Arthur Achhing; Millar, Dean Michael; Molzahn, David Craig

    2014-08-12

    A process for production of a metal hydride compound MH.sub.x, wherein x is one or two and M is an alkali metal, Be or Mg. The process comprises combining a compound of formula (R.sup.1O).sub.xM with aluminum, hydrogen and at least one metal selected from among titanium, zirconium, hafnium, niobium, vanadium, tantalum and iron to produce a compound of formula MH.sub.x. R.sup.1 is phenyl or phenyl substituted by at least one alkyl or alkoxy group. A mole ratio of aluminum to (R.sup.1O).sub.xM is from 0.1:1 to 1:1. The catalyst is present at a level of at least 200 ppm based on weight of aluminum.

  9. Complex metal hydrides for hydrogen, thermal and electrochemical energy storage

    DEFF Research Database (Denmark)

    Møller, Kasper T.; Sheppard, Drew; Ravnsbæk, Dorthe B.

    2017-01-01

    field. This review illustrates that complex metal hydrides may store hydrogen in the solid state, act as novel battery materials, both as electrolytes and electrode materials, or store solar heat in a more efficient manner as compared to traditional heat storage materials. Furthermore, it is highlighted...... how complex metal hydrides may act in an integrated setup with a fuel cell. This review focuses on the unique properties of light element complex metal hydrides mainly based on boron, nitrogen and aluminum, e.g., metal borohydrides and metal alanates. Our hope is that this review can provide new...

  10. Hydrogen storage properties of metallic hydrides

    International Nuclear Information System (INIS)

    Latroche, M.; Percheron-Guegan, A.

    2005-01-01

    Nowadays, energy needs are mainly covered by fossil energies leading to pollutant emissions mostly responsible for global warming. Among the different possible solutions for greenhouse effect reduction, hydrogen has been proposed for energy transportation. Indeed, H 2 can be seen as a clean and efficient energy carrier. However, beside the difficulties related to hydrogen production, efficient high capacity storage means are still to be developed. Many metals and alloys are able to store large amounts of hydrogen. This latter solution is of interest in terms of safety, global yield and long term storage. However, to be suitable for applications, such compounds must present high capacity, good reversibility, fast reactivity and sustainability. In this paper, we will review the structural and thermodynamic properties of metallic hydrides. (authors)

  11. Metal hydrides: an innovative and challenging conversion reaction anode for lithium-ion batteries

    Directory of Open Access Journals (Sweden)

    Luc Aymard

    2015-08-01

    Full Text Available The state of the art of conversion reactions of metal hydrides (MH with lithium is presented and discussed in this review with regard to the use of these hydrides as anode materials for lithium-ion batteries. A focus on the gravimetric and volumetric storage capacities for different examples from binary, ternary and complex hydrides is presented, with a comparison between thermodynamic prediction and experimental results. MgH2 constitutes one of the most attractive metal hydrides with a reversible capacity of 1480 mA·h·g−1 at a suitable potential (0.5 V vs Li+/Li0 and the lowest electrode polarization (2, TiH2, complex hydrides Mg2MHx and other Mg-based hydrides. The reversible conversion reaction mechanism of MgH2, which is lithium-controlled, can be extended to others hydrides as: MHx + xLi+ + xe− in equilibrium with M + xLiH. Other reaction paths—involving solid solutions, metastable distorted phases, and phases with low hydrogen content—were recently reported for TiH2 and Mg2FeH6, Mg2CoH5 and Mg2NiH4. The importance of fundamental aspects to overcome technological difficulties is discussed with a focus on conversion reaction limitations in the case of MgH2. The influence of MgH2 particle size, mechanical grinding, hydrogen sorption cycles, grinding with carbon, reactive milling under hydrogen, and metal and catalyst addition to the MgH2/carbon composite on kinetics improvement and reversibility is presented. Drastic technological improvement in order to the enhance conversion process efficiencies is needed for practical applications. The main goals are minimizing the impact of electrode volume variation during lithium extraction and overcoming the poor electronic conductivity of LiH. To use polymer binders to improve the cycle life of the hydride-based electrode and to synthesize nanoscale composite hydride can be helpful to address these drawbacks. The development of high-capacity hydride anodes should be inspired by the emergent

  12. Metal hydrides: an innovative and challenging conversion reaction anode for lithium-ion batteries.

    Science.gov (United States)

    Aymard, Luc; Oumellal, Yassine; Bonnet, Jean-Pierre

    2015-01-01

    The state of the art of conversion reactions of metal hydrides (MH) with lithium is presented and discussed in this review with regard to the use of these hydrides as anode materials for lithium-ion batteries. A focus on the gravimetric and volumetric storage capacities for different examples from binary, ternary and complex hydrides is presented, with a comparison between thermodynamic prediction and experimental results. MgH2 constitutes one of the most attractive metal hydrides with a reversible capacity of 1480 mA·h·g(-1) at a suitable potential (0.5 V vs Li(+)/Li(0)) and the lowest electrode polarization (lithium are subsequently detailed for MgH2, TiH2, complex hydrides Mg2MH x and other Mg-based hydrides. The reversible conversion reaction mechanism of MgH2, which is lithium-controlled, can be extended to others hydrides as: MH x + xLi(+) + xe(-) in equilibrium with M + xLiH. Other reaction paths-involving solid solutions, metastable distorted phases, and phases with low hydrogen content-were recently reported for TiH2 and Mg2FeH6, Mg2CoH5 and Mg2NiH4. The importance of fundamental aspects to overcome technological difficulties is discussed with a focus on conversion reaction limitations in the case of MgH2. The influence of MgH2 particle size, mechanical grinding, hydrogen sorption cycles, grinding with carbon, reactive milling under hydrogen, and metal and catalyst addition to the MgH2/carbon composite on kinetics improvement and reversibility is presented. Drastic technological improvement in order to the enhance conversion process efficiencies is needed for practical applications. The main goals are minimizing the impact of electrode volume variation during lithium extraction and overcoming the poor electronic conductivity of LiH. To use polymer binders to improve the cycle life of the hydride-based electrode and to synthesize nanoscale composite hydride can be helpful to address these drawbacks. The development of high-capacity hydride anodes should

  13. Hydrogen storage in metal hydrides and complex hydrides; Wasserstoffspeicherung in Metall- und komplexen Hydriden - Schlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Bielmann, M.; Zuettel, A.

    2007-07-01

    This final report for the Swiss Federal Office of Energy (SFOE), reports on work done in 2007 at the Swiss Federal Laboratories for Materials Science and Technology EMPA on the storage of hydrogen in metal hydrides and complex hydrides. In particular, the use of tetrahydroborates is noted. The potential of this class of materials is stressed. The structures at room-temperature were examined using neutron and X-ray diffraction methods. Thermodynamic methods helped determine the thermodynamic stability of the materials. Also, a complete energy diagram for the materials was developed. The use of silicon oxide to reduce activation energy and its catalytic effects are discussed. The challenges placed by desorption mechanisms are noted. The authors note that reversibility is basically proven.

  14. Artificial exomuscle investigations for applications-metal hydride

    International Nuclear Information System (INIS)

    Crevier, Marie-Charlotte; Richard, Martin; Rittenhouse, D Matheson; Roy, Pierre-Olivier; Bedard, Stephane

    2007-01-01

    In pursuing the development of bionic devices, Victhom identified a need for technologies that could replace current motorized systems and be better integrated into the human body motion. The actuators used to obtain large displacements are noisy, heavy, and do not adequately reproduce human muscle behavior. Subsequently, a project at Victhom was devoted to the development of active materials to obtain an artificial exomuscle actuator. An exhaustive literature review was done at Victhom to identify promising active materials for the development of artificial muscles. According to this review, metal hydrides were identified as a promising technology for artificial muscle development. Victhom's investigations focused on determining metal hydride actuator potential in the context of bionics technology. Based on metal hydride properties and artificial muscle requirements such as force, displacement and rise time, an exomuscle was built. In addition, a finite element model, including heat and mass transfer in the metal hydride, was developed and implemented in FEMLAB software. (review article)

  15. Electronic structure, bonding and chemisorption in metallic hydrides

    International Nuclear Information System (INIS)

    Ward, J.W.

    1980-01-01

    Problems that can arise during the cycling steps for a hydride storage system usually involve events at surfaces. Chemisorption and reaction processes can be affected by small amounts of contaminants that may act as catalytic poisons. The nature of the poisoning process can vary greatly for the different metals and alloys that form hydrides. A unifying concept is offered, which satisfactorily correlates many of the properties of transition-metal, rare-earth and actinide hydrides. The metallic hydrides can be differentiated on the basis of electronegativity, metallic radius (valence) and electronic structure. For those systems where there are d (transition metals) or f (early actinides) electrons near the Fermi level a broad range of chemical and catalytic behaviors are found, depending on bandwidth and energy. The more electropositive metals (rare-earths, actinides, transition metals with d > 5) dissolve hydrogen and form hydrides by an electronically somewhat different process, and as a class tend to adsorb electrophobic molecules. The net charge-transfer in either situation is subtle; however, the small differences are responsible for many of the observed structural, chemical, and catalytic properties in these hydride systems

  16. The use of metal hydrides in fuel cell applications

    Directory of Open Access Journals (Sweden)

    Mykhaylo V. Lototskyy

    2017-02-01

    Full Text Available This paper reviews state-of-the-art developments in hydrogen energy systems which integrate fuel cells with metal hydride-based hydrogen storage. The 187 reference papers included in this review provide an overview of all major publications in the field, as well as recent work by several of the authors of the review. The review contains four parts. The first part gives an overview of the existing types of fuel cells and outlines the potential of using metal hydride stores as a source of hydrogen fuel. The second part of the review considers the suitability and optimisation of different metal hydrides based on their energy efficient thermal integration with fuel cells. The performances of metal hydrides are considered from the viewpoint of the reversible heat driven interaction of the metal hydrides with gaseous H2. Efficiencies of hydrogen and heat exchange in hydrogen stores to control H2 charge/discharge flow rates are the focus of the third section of the review and are considered together with metal hydride – fuel cell system integration issues and the corresponding engineering solutions. Finally, the last section of the review describes specific hydrogen-fuelled systems presented in the available reference data.

  17. Permeation rates for RTF metal hydride vessels

    International Nuclear Information System (INIS)

    Klein, J.E.

    1992-01-01

    Contamination rates have been estimated for the RTF nitrogen heating and cooling system (NH and CS) due to tritium permeation through the walls of metal hydride vessels. Tritium contamination of the NH and CS will be seen shortly after start-up of the RTF with the majority of it coming from the TCAP units. Contamination rates of the NH and CS are estimated to exceed 400 Ci/year after three years of operation and will elevate tritium concentrations in the NH and CS above 6 x 10 -3 μCi/cc. To reduce tritium activity in the NH and CS, a stripper or ''getter'' bed may need to be installed in the NH and CS. Increasing the purge rate of nitrogen from the NH and CS is shown to be an impractical method for reducing tritium activity due to the high purge rates required. Stripping of the NH and CS nitrogen in the glove box stripper system will give a temporary lowering of tritium activity in the NH and CS, but tritium activity will return to its previous level in approximately two weeks

  18. Hydrogen storage in metallic hydrides: the hydrides of magnesium-nickel alloys

    International Nuclear Information System (INIS)

    Silva, E.P. da.

    1981-01-01

    The massive and common use of hydrogen as an energy carrier requires an adequate solution to the problem of storing it. High pressure or low temperatures are not entirely satisfactory, having each a limited range of applications. Reversible metal hydrides cover a range of applications intermediate to high pressure gas and low temperature liquid hydrogen, retaining very favorable safety and energy density characteristics, both for mobile and stationary applications. This work demonstrates the technical viability of storing hydrogen in metal hydrides of magnesium-nickel alloys. Also, it shows that technology, a product of science, can be generated within an academic environment, of the goal is clear, the demand outstanding and the means available. We review briefly theoretical models relating to metal hydride properties, specially the thermodynamics properties relevant to this work. We report our experimental results on hydrides of magnesium-nickel alloys of various compositions including data on structure, hydrogen storage capacities, reaction kinetics, pressure-composition isotherms. We selected a promising alloy for mass production, built and tested a modular storage tank based on the hydrides of the alloy, with a capacity for storing 10 Nm sup(3) of hydrogen of 1 atm and 20 sup(0)C. The tank weighs 46,3 Kg and has a volume of 21 l. (author)

  19. Proton location in metal hydrides using electron spin resonance

    International Nuclear Information System (INIS)

    Venturini, E.L.

    1979-01-01

    Electron spin resonance (ESR) of dilute paramagnetic ions establishes the site symmetry of these ions. In the case of metal hydrides the site symmetry is determined by the number and location of neighboring protons. Typical ESR spectra for trivalent erbium in scandium and yttrium hydrides are presented and analyzed, and this technique is shown to be a versatile microscopic probe of the location, net charge and occupation probability of nearby protons

  20. Metal hydrides based high energy density thermal battery

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Zhigang Zak, E-mail: zak.fang@utah.edu [Department of Metallurgical Engineering, The University of Utah, 135 South 1460 East, Room 412, Salt Lake City, UT 84112-0114 (United States); Zhou, Chengshang; Fan, Peng [Department of Metallurgical Engineering, The University of Utah, 135 South 1460 East, Room 412, Salt Lake City, UT 84112-0114 (United States); Udell, Kent S. [Department of Metallurgical Engineering, The University of Utah, 50 S. Central Campus Dr., Room 2110, Salt Lake City, UT 84112-0114 (United States); Bowman, Robert C. [Department of Metallurgical Engineering, The University of Utah, 135 South 1460 East, Room 412, Salt Lake City, UT 84112-0114 (United States); Vajo, John J.; Purewal, Justin J. [HRL Laboratories, LLC, 3011 Malibu Canyon Road, Malibu, CA 90265 (United States); Kekelia, Bidzina [Department of Metallurgical Engineering, The University of Utah, 50 S. Central Campus Dr., Room 2110, Salt Lake City, UT 84112-0114 (United States)

    2015-10-05

    Highlights: • The principle of the thermal battery using advanced metal hydrides was demonstrated. • The thermal battery used MgH{sub 2} and TiMnV as a working pair. • High energy density can be achieved by the use of MgH{sub 2} to store thermal energy. - Abstract: A concept of thermal battery based on advanced metal hydrides was studied for heating and cooling of cabins in electric vehicles. The system utilized a pair of thermodynamically matched metal hydrides as energy storage media. The pair of hydrides that was identified and developed was: (1) catalyzed MgH{sub 2} as the high temperature hydride material, due to its high energy density and enhanced kinetics; and (2) TiV{sub 0.62}Mn{sub 1.5} alloy as the matching low temperature hydride. Further, a proof-of-concept prototype was built and tested, demonstrating the potential of the system as HVAC for transportation vehicles.

  1. Influence of uranium hydride oxidation on uranium metal behaviour

    International Nuclear Information System (INIS)

    Patel, N.; Hambley, D.; Clarke, S.A.; Simpson, K.

    2013-01-01

    This work addresses concerns that the rapid, exothermic oxidation of active uranium hydride in air could stimulate an exothermic reaction (burning) involving any adjacent uranium metal, so as to increase the potential hazard arising from a hydride reaction. The effect of the thermal reaction of active uranium hydride, especially in contact with uranium metal, does not increase in proportion with hydride mass, particularly when considering large quantities of hydride. Whether uranium metal continues to burn in the long term is a function of the uranium metal and its surroundings. The source of the initial heat input to the uranium, if sufficient to cause ignition, is not important. Sustained burning of uranium requires the rate of heat generation to be sufficient to offset the total rate of heat loss so as to maintain an elevated temperature. For dense uranium, this is very difficult to achieve in naturally occurring circumstances. Areas of the uranium surface can lose heat but not generate heat. Heat can be lost by conduction, through contact with other materials, and by convection and radiation, e.g. from areas where the uranium surface is covered with a layer of oxidised material, such as burned-out hydride or from fuel cladding. These rates of heat loss are highly significant in relation to the rate of heat generation by sustained oxidation of uranium in air. Finite volume modelling has been used to examine the behaviour of a magnesium-clad uranium metal fuel element within a bottle surrounded by other un-bottled fuel elements. In the event that the bottle is breached, suddenly, in air, it can be concluded that the bulk uranium metal oxidation reaction will not reach a self-sustaining level and the mass of uranium oxidised will likely to be small in relation to mass of uranium hydride oxidised. (authors)

  2. Influence of uranium hydride oxidation on uranium metal behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Patel, N.; Hambley, D. [National Nuclear Laboratory (United Kingdom); Clarke, S.A. [Sellafield Ltd (United Kingdom); Simpson, K.

    2013-07-01

    This work addresses concerns that the rapid, exothermic oxidation of active uranium hydride in air could stimulate an exothermic reaction (burning) involving any adjacent uranium metal, so as to increase the potential hazard arising from a hydride reaction. The effect of the thermal reaction of active uranium hydride, especially in contact with uranium metal, does not increase in proportion with hydride mass, particularly when considering large quantities of hydride. Whether uranium metal continues to burn in the long term is a function of the uranium metal and its surroundings. The source of the initial heat input to the uranium, if sufficient to cause ignition, is not important. Sustained burning of uranium requires the rate of heat generation to be sufficient to offset the total rate of heat loss so as to maintain an elevated temperature. For dense uranium, this is very difficult to achieve in naturally occurring circumstances. Areas of the uranium surface can lose heat but not generate heat. Heat can be lost by conduction, through contact with other materials, and by convection and radiation, e.g. from areas where the uranium surface is covered with a layer of oxidised material, such as burned-out hydride or from fuel cladding. These rates of heat loss are highly significant in relation to the rate of heat generation by sustained oxidation of uranium in air. Finite volume modelling has been used to examine the behaviour of a magnesium-clad uranium metal fuel element within a bottle surrounded by other un-bottled fuel elements. In the event that the bottle is breached, suddenly, in air, it can be concluded that the bulk uranium metal oxidation reaction will not reach a self-sustaining level and the mass of uranium oxidised will likely to be small in relation to mass of uranium hydride oxidised. (authors)

  3. Solubility of hydrogen isotopes in stressed hydride-forming metals

    International Nuclear Information System (INIS)

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

    1983-01-01

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

  4. Metal Hydride assited contamination on Ru/Si surfaces

    NARCIS (Netherlands)

    Pachecka, Malgorzata; Lee, Christopher James; Sturm, Jacobus Marinus; Bijkerk, Frederik

    2013-01-01

    In extreme ultraviolet lithography (EUVL) residual tin, in the form of particles, ions, and atoms, can be deposited on nearby EUV optics. During the EUV pulse, a reactive hydrogen plasma is formed, which may be able to react with metal contaminants, creating volatile and unstable metal hydrides that

  5. Research in Nickel/Metal Hydride Batteries 2017

    Directory of Open Access Journals (Sweden)

    Kwo-Hsiung Young

    2018-02-01

    Full Text Available Continuing from a special issue in Batteries in 2016, nineteen new papers focusing on recent research activities in the field of nickel/metal hydride (Ni/MH batteries have been selected for the 2017 Special Issue of Ni/MH Batteries. These papers summarize the international joint-efforts in Ni/MH battery research from BASF, Wayne State University, Michigan State University, FDK Corp. (Japan, Institute for Energy Technology (Norway, Central South University (China, University of Science and Technology Beijing (China, Zhengzhou University of Light Industry (China, Inner Mongolia University of Science and Technology (China, Shenzhen Highpower (China, and University of the Witwatersrand (South Africa from 2016–2017 through reviews of AB2 metal hydride alloys, Chinese and EU Patent Applications, as well as descriptions of research results in metal hydride alloys, nickel hydroxide, electrolyte, and new cell type, comparison work, and projections of future works.

  6. Complex Metal Hydrides for Hydrogen, Thermal and Electrochemical Energy Storage

    DEFF Research Database (Denmark)

    Moller, Kasper T.; Sheppard, Drew; Ravnsbaek, Dorthe B.

    2017-01-01

    Hydrogen has a very diverse chemistry and reacts with most other elements to form compounds, which have fascinating structures, compositions and properties. Complex metal hydrides are a rapidly expanding class of materials, approaching multi-functionality, in particular within the energy storage...... inspiration to solve the great challenge of our time: efficient conversion and large-scale storage of renewable energy....... field. This review illustrates that complex metal hydrides may store hydrogen in the solid state, act as novel battery materials, both as electrolytes and electrode materials, or store solar heat in a more efficient manner as compared to traditional heat storage materials. Furthermore, it is highlighted...

  7. Process of forming a sol-gel/metal hydride composite

    Science.gov (United States)

    Congdon, James W [Aiken, SC

    2009-03-17

    An external gelation process is described which produces granules of metal hydride particles contained within a sol-gel matrix. The resulting granules are dimensionally stable and are useful for applications such as hydrogen separation and hydrogen purification. An additional coating technique for strengthening the granules is also provided.

  8. Hydrogen storage alloys for nickel/metal hydride battery

    Energy Technology Data Exchange (ETDEWEB)

    Kuriyama, Nobuhiro; Sakai, Tetsuo; Myamura, Hiroshi; Tanaka, Hideaki; Ishikawa, Hiroshi; Uehara, Itsuki [Osaka National Research Inst. (Japan)

    1996-06-01

    Efforts to improve performance of metal hydride electrodes such as substitution of alloy components, heat treatment, and surface treatment intended to change surface and bulk structure of hydrogen storage alloys, mainly LaNi{sub 5} based alloys, are reviewed. The importance of control of morphology is emphasized. (author)

  9. Cascades for hydrogen isotope separation using metal hydrides

    International Nuclear Information System (INIS)

    Hill, F.B.; Grzetic, V.

    1982-01-01

    Designs are presented for continuous countercurrent hydrogen isotope separation cascades based on the use of metal hydrides. The cascades are made up of pressure swing adsorption (PSA) or temperature swing adsorption (TSA) stages. The designs were evolved from consideration of previously conducted studies of the separation performance of four types of PSA and TSA processes

  10. Cascades for hydrogen isotope separation using metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Hill, F B; Grzetic, V [Brookhaven National Lab., Upton, NY (USA)

    1983-02-01

    Designs are presented for continuous countercurrent hydrogen isotope separation cascades based on the use of metal hydrides. The cascades are made up of pressure swing adsorption (PSA) or temperature swing adsorption (TSA) stages. The designs were evolved from consideration of previously conducted studies of the separation performance of four types of PSA and TSA processes.

  11. Activation and discharge kinetics of metal hydride electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Johnsen, Stein Egil

    2003-07-01

    Potential step chronoamperometry and Electrochemical Impedance Spectroscopy (eis) measurements were performed on single metal hydride particles. For the {alpha}-phase, the bulk diffusion coefficient and the absorption/adsorption rate parameters were determined. Materials produced by atomisation, melt spinning and conventional casting were investigated. The melt spun and conventional cast materials were identical and the atomised material similar in composition. The particles from the cast and the melt spun material were shaped like parallelepipeds. A corresponding equation, for this geometry, for diffusion coupled to an absorption/adsorption reaction was developed. It was found that materials produced by melt spinning exhibited lower bulk diffusion (1.7E-14 m2/s) and absorption/adsorption reaction rate (1.0E-8 m/s), compared to materials produced by conventionally casting (1.1E-13 m2/s and 5.5E-8 m/s respectively). In addition, the influence of particle active surface and relative diffusion length were discussed. It was concluded that there are uncertainties connected to these properties, which may explain the large distribution in the kinetic parameters measured on metal hydride particles. Activation of metal hydride forming materials has been studied and an activation procedure, for porous electrodes, was investigated. Cathodic polarisation of the electrode during a hot alkaline surface treatment gave the maximum discharge capacity on the first discharge of the electrode. The studied materials were produced by gas atomisation and the spherical shape was retained during the activation. Both an AB{sub 5} and an AB{sub 2} alloy was successfully activated and discharge rate properties determined. The AB{sub 2} material showed a higher maximum discharge capacity, but poor rate properties, compared to the AB{sub 5} material. Reduction of surface oxides, and at the same time protection against corrosion of active metallic nickel, can explain the satisfying results of

  12. Ternary scandium and transition metals germanides

    International Nuclear Information System (INIS)

    Kotur, B.Ya.

    1992-01-01

    Brief review of data on phase diagram of ternary Sc-Me-Ge systems (Me-d - , f-transition element) is given. Isothermal sections at 870 and 1070 K of 17 ternary systems are plotted. Compositions and their structural characteristics are presented. Variability of crystal structure is typical for ternary scandium germanides: 70 compounds with the studied structure belong to 23 structural types. Ternary germanides isostructural to types of Sm 4 Ge 4 , ZrCrSi 2 , ZrNiAl, ScCeSi, TiNiSi U 4 Re 7 Si 6 145 compounds from 70 under investigation are mostly formed in studied systems

  13. Hydrogen and dihydrogen bonding of transition metal hydrides

    International Nuclear Information System (INIS)

    Jacobsen, Heiko

    2008-01-01

    Intermolecular interactions between a prototypical transition metal hydride WH(CO) 2 NO(PH 3 ) 2 and a small proton donor H 2 O have been studied using DFT methodology. The hydride, nitrosyl and carbonyl ligand have been considered as site of protonation. Further, DFT-D calculations in which empirical corrections for the dispersion energy are included, have been carried out. A variety of pure and hybrid density functionals (BP86, PW91, PBE, BLYP, OLYP, B3LYP, B1PW91, PBE0, X3LYP) have been considered, and our calculations indicate the PBE functional and its hybrid variation are well suited for the calculation of transition metal hydride hydrogen and dihydrogen bonding. Dispersive interactions make up for a sizeable portion of the intermolecular interaction, and amount to 20-30% of the bond energy and to 30-40% of the bond enthalpy. An energy decomposition analysis reveals that the H...H bond of transition metal hydrides contains both covalent and electrostatic contributions

  14. Hydrogen and dihydrogen bonding of transition metal hydrides

    Science.gov (United States)

    Jacobsen, Heiko

    2008-04-01

    Intermolecular interactions between a prototypical transition metal hydride WH(CO) 2NO(PH 3) 2 and a small proton donor H 2O have been studied using DFT methodology. The hydride, nitrosyl and carbonyl ligand have been considered as site of protonation. Further, DFT-D calculations in which empirical corrections for the dispersion energy are included, have been carried out. A variety of pure and hybrid density functionals (BP86, PW91, PBE, BLYP, OLYP, B3LYP, B1PW91, PBE0, X3LYP) have been considered, and our calculations indicate the PBE functional and its hybrid variation are well suited for the calculation of transition metal hydride hydrogen and dihydrogen bonding. Dispersive interactions make up for a sizeable portion of the intermolecular interaction, and amount to 20-30% of the bond energy and to 30-40% of the bond enthalpy. An energy decomposition analysis reveals that the H⋯H bond of transition metal hydrides contains both covalent and electrostatic contributions.

  15. Hydrogen and dihydrogen bonding of transition metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Jacobsen, Heiko [KemKom, Libellenweg 2, 25917 Leck, Nordfriesland (Germany)], E-mail: jacobsen@kemkom.com

    2008-04-03

    Intermolecular interactions between a prototypical transition metal hydride WH(CO){sub 2}NO(PH{sub 3}){sub 2} and a small proton donor H{sub 2}O have been studied using DFT methodology. The hydride, nitrosyl and carbonyl ligand have been considered as site of protonation. Further, DFT-D calculations in which empirical corrections for the dispersion energy are included, have been carried out. A variety of pure and hybrid density functionals (BP86, PW91, PBE, BLYP, OLYP, B3LYP, B1PW91, PBE0, X3LYP) have been considered, and our calculations indicate the PBE functional and its hybrid variation are well suited for the calculation of transition metal hydride hydrogen and dihydrogen bonding. Dispersive interactions make up for a sizeable portion of the intermolecular interaction, and amount to 20-30% of the bond energy and to 30-40% of the bond enthalpy. An energy decomposition analysis reveals that the H...H bond of transition metal hydrides contains both covalent and electrostatic contributions.

  16. Metal hydride-based thermal energy storage systems

    Science.gov (United States)

    Vajo, John J.; Fang, Zhigang

    2017-10-03

    The invention provides a thermal energy storage system comprising a metal-containing first material with a thermal energy storage density of about 1300 kJ/kg to about 2200 kJ/kg based on hydrogenation; a metal-containing second material with a thermal energy storage density of about 200 kJ/kg to about 1000 kJ/kg based on hydrogenation; and a hydrogen conduit for reversibly transporting hydrogen between the first material and the second material. At a temperature of 20.degree. C. and in 1 hour, at least 90% of the metal is converted to the hydride. At a temperature of 0.degree. C. and in 1 hour, at least 90% of the metal hydride is converted to the metal and hydrogen. The disclosed metal hydride materials have a combination of thermodynamic energy storage densities and kinetic power capabilities that previously have not been demonstrated. This performance enables practical use of thermal energy storage systems for electric vehicle heating and cooling.

  17. Effect of electronegativity on the mechanical properties of metal hydrides with a fluorite structure

    International Nuclear Information System (INIS)

    Ito, Masato; Setoyama, Daigo; Matsunaga, Junji; Muta, Hiroaki; Kurosaki, Ken; Uno, Masayoshi; Yamanaka, Shinsuke

    2006-01-01

    Bulk titanium, yttrium, and zirconium hydrides, which have the same structure as that of fluorite-type fcc C 1, were produced and their mechanical properties were investigated. With an increase in the hydrogen content, the lattice parameters of titanium and zirconium hydrides increased, whereas those of yttrium hydride decreased. The elastic moduli of titanium and zirconium hydrides decreased by hydrogen addition, whereas those of yttrium hydride increased. There are linear relations between the electronegativities and hydrogen content dependence of the properties. Therefore, the mechanical properties of the metal hydrides are considered to be determined by a common rule based on the electronegativity

  18. 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

  19. Thermomechanics of hydrogen storage in metallic hydrides: modeling and analysis

    Czech Academy of Sciences Publication Activity Database

    Roubíček, Tomáš; Tomassetti, G.

    2014-01-01

    Roč. 19, č. 7 (2014), s. 2313-2333 ISSN 1531-3492 R&D Projects: GA ČR GA201/09/0917 Institutional support: RVO:61388998 Keywords : metal-hydrid phase transformation * hydrogen diffusion * swelling Subject RIV: BA - General Mathematics Impact factor: 0.768, year: 2014 http://aimsciences.org/journals/pdfs.jsp?paperID=10195&mode=full

  20. Evaluation of Neutron shielding efficiency of Metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Sang Hwan; Chae, San; Kim, Yong Soo [Hanyang University, Seoul (Korea, Republic of)

    2012-05-15

    Neutron shielding is achieved of interaction with material by moderation and absorption. Material that contains large amounts hydrogen atoms which are almost same neutron atomic weight is suited for fast neutron shielding material. Therefore, polymers containing high density hydrogen atom are being used for fast neutron shielding. On the other hand, composite materials containing high thermal neutron absorption cross section atom (Li, B, etc) are being used for thermal neutron shielding. However, these materials have low fast neutron absorption cross section. Therefore, these materials are not suited for fast neutron shielding. Hydrogen which has outstanding neutron energy reduction ability has very low thermal neutron absorption cross section, almost cannot be used for thermal neutron shielding. In this case, a large atomic number material (Pb, U, etc.) has been used. Thus, metal hydrides are considered as complement to concrete shielding material. Because metal hydrides contain high hydrogen density and elements with high atomic number. In this research neutron shielding performance and characteristic of nuclear about metal hydrides ((TiH{sub 2}, ZrH{sub 2}, HfH{sub 2}) is evaluated by experiment and MCNPX using {sup 252}Cf neutron source as purpose development shielding material to developed shielding material

  1. 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.

  2. Metal Borohydrides synthesized from metal borides and metal hydrides

    DEFF Research Database (Denmark)

    Sommer, Sanna

    2014-01-01

    Aarhus C, Denmark email: gallafogh@hotmail.com / sanna-sommer@hotmail.com Magnesium boride, MgB2, ball milled with MH (M = Li, Na, Ca) followed by hydrogenation under high hydrogen pressure, readily forms the corresponding metal borohydrides, M(BH4)x (M = Li, Na, Ca) and MgH2 according to reaction scheme...

  3. Oxidation of Group 8 transition-Metal Hydrides and Ionic Hydrogenation of Ketones and Aldehydes

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Kjell-Tore

    1996-08-01

    Transition-metal hydrides have received considerable attention during the last decades because of their unusual reactivity and their potential as homogeneous catalysts for hydrogenation and other reactions of organic substrates. An important class of catalytic processes where transition-metal hydrides are involved is the homogeneous hydrogenation of alkenes, alkynes, ketones, aldehydes, arenes and nitro compounds. This thesis studies the oxidation of Group 8 transition-metal hydrides and the ionic hydrogenation of ketones and aldehydes.

  4. 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)

  5. Modeling of hydrogen isotopes separation in a metal hydride bed

    International Nuclear Information System (INIS)

    Charton, S.; Corriou, J.P.; Schweich, D.

    1999-01-01

    A predictive model for hydrogen isotopes separation in a non-isothermal bed of unsupported palladium hydride particles is derived. It accounts for the non-linear adsorption-dissociation equilibrium, hydrodynamic dispersion, pressure drop, mass transfer kinetics, heat of sorption and heat losses at the bed wall. Using parameters from the literature or estimated with classical correlations, the model gives simulated curves in agreement with previously published experiments without any parameter fit. The non-isothermal behavior is shown to be responsible for drastic changes of the mass transfer rate which is controlled by diffusion in the solid-phase lattice. For a feed at 300 K and atmospheric pressure, the endothermic hydride-to-deuteride exchange is kinetically controlled, whereas the reverse exothermic exchange is nearly at equilibrium. Finally, a simple and efficient thermodynamic model for the dissociative equilibrium between a metal and a diatomic gas is proposed. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  6. Ternary gradient metal-organic frameworks.

    Science.gov (United States)

    Liu, Chong; Rosi, Nathaniel L

    2017-09-08

    Gradient MOFs contain directional gradients of either structure or functionality. We have successfully prepared two ternary gradient MOFs based on bMOF-100 analogues, namely bMOF-100/102/106 and bMOF-110/100/102, via cascade ligand exchange reactions. The cubic unit cell parameter discrepancy within an individual ternary gradient MOF crystal is as large as ∼1 nm, demonstrating the impressive compatibility and flexibility of the component MOF materials. Because of the presence of a continuum of unit cells, the pore diameters within individual crystals also change in a gradient fashion from ∼2.5 nm to ∼3.0 nm for bMOF-100/102/106, and from ∼2.2 nm to ∼2.7 nm for bMOF-110/100/102, indicating significant porosity gradients. Like previously reported binary gradient MOFs, the composition of the ternary gradient MOFs can be easily controlled by adjusting the reaction conditions. Finally, X-ray diffraction and microspectrophotometry were used to analyse fractured gradient MOF crystals by comparing unit cell parameters and absorbance spectra at different locations, thus revealing the profile of heterogeneity (i.e. gradient distribution of properties) and further confirming the formation of ternary gradient MOFs.

  7. Reactivity patterns of transition metal hydrides and alkyls

    International Nuclear Information System (INIS)

    Jones, W.D. II.

    1979-05-01

    The complex PPN + CpV(CO) 3 H - (Cp=eta 5 -C 5 H 5 and PPN = (Ph 3 P) 2 ) was prepared in 70% yield and its physical properties and chemical reactions investigated. PPN + CpV(CO) 3 H - reacts with a wide range of organic halides. The organometallic products of these reactions are the vanadium halides PPN + [CpV(C) 3 X] - and in some cases the binuclear bridging hydride PPN + [CpV(CO) 3 ] 2 H - . The borohydride salt PPN + [CpV(CO) 3 BH 4 ] - has also been prepared. The reaction between CpV(CO) 3 H - and organic halides was investigated and compared with halide reductions carried out using tri-n-butyltin hydride. Results demonstrate that in almost all cases, the reduction reaction proceeds via free radical intermediates which are generated in a chain process, and are trapped by hydrogen transfer from CpV(CO) 3 H - . Sodium amalgam reduction of CpRh(CO) 2 or a mixture of CpRh(CO) 2 and CpCo(CO) 2 affords two new anions, PPN + [Cp 2 Rh 3 (CO) 4 ] - and PPN + [Cp 2 RhCo(CO) 2 ] - . CpMo(CO) 3 H reacts with CpMo(CO) 3 R (R=CH 3 ,C 2 H 5 , CH 2 C 6 H 5 ) at 25 to 50 0 C to produce aldehyde RCHO and the dimers [CpMo(CO) 3 ] 2 and [CpMo(CO) 2 ] 2 . In general, CpV(CO) 3 H - appears to transfer a hydrogen atom to the metal radical anion formed in an electron transfer process, whereas CpMo(CO) 3 H transfers hydride in a 2-electron process to a vacant coordination site. The chemical consequences are that CpV(CO) 3 H - generally reacts with metal alkyls to give alkanes via intermediate alkyl hydride species whereas CpMo(CO) 3 H reacts with metal alkyls to produce aldehyde, via an intermediate acyl hydride species

  8. Reactivity patterns of transition metal hydrides and alkyls

    Energy Technology Data Exchange (ETDEWEB)

    Jones, W.D. II

    1979-05-01

    The complex PPN/sup +/ CpV(CO)/sub 3/H/sup -/ (Cp=eta/sup 5/-C/sub 5/H/sub 5/ and PPN = (Ph/sub 3/P)/sub 2/) was prepared in 70% yield and its physical properties and chemical reactions investigated. PPN/sup +/ CpV(CO)/sub 3/H/sup -/ reacts with a wide range of organic halides. The organometallic products of these reactions are the vanadium halides PPN/sup +/(CpV(C)/sub 3/X)/sup -/ and in some cases the binuclear bridging hydride PPN/sup +/ (CpV(CO)/sub 3/)/sub 2/H/sup -/. The borohydride salt PPN/sup +/(CpV(CO)/sub 3/BH/sub 4/)/sup -/ has also been prepared. The reaction between CpV(CO)/sub 3/H/sup -/ and organic halides was investigated and compared with halide reductions carried out using tri-n-butyltin hydride. Results demonstrate that in almost all cases, the reduction reaction proceeds via free radical intermediates which are generated in a chain process, and are trapped by hydrogen transfer from CpV(CO)/sub 3/H/sup -/. Sodium amalgam reduction of CpRh(CO)/sub 2/ or a mixture of CpRh(CO)/sub 2/ and CpCo(CO)/sub 2/ affords two new anions, PPN/sup +/ (Cp/sub 2/Rh/sub 3/(CO)/sub 4/)/sup -/ and PPN/sup +/(Cp/sub 2/RhCo(CO)/sub 2/)/sup -/. CpMo(CO)/sub 3/H reacts with CpMo(CO)/sub 3/R (R=CH/sub 3/,C/sub 2/H/sub 5/, CH/sub 2/C/sub 6/H/sub 5/) at 25 to 50/sup 0/C to produce aldehyde RCHO and the dimers (CpMo(CO)/sub 3/)/sub 2/ and (CpMo(CO)/sub 2/)/sub 2/. In general, CpV(CO)/sub 3/H/sup -/ appears to transfer a hydrogen atom to the metal radical anion formed in an electron transfer process, whereas CpMo(CO)/sub 3/H transfers hydride in a 2-electron process to a vacant coordination site. The chemical consequences are that CpV(CO)/sub 3/H/sup -/ generally reacts with metal alkyls to give alkanes via intermediate alkyl hydride species whereas CpMo(CO)/sub 3/H reacts with metal alkyls to produce aldehyde, via an intermediate acyl hydride species.

  9. Oxidation kinetics of hydride-bearing uranium metal corrosion products

    Science.gov (United States)

    Totemeier, Terry C.; Pahl, Robert G.; Frank, Steven M.

    The oxidation behavior of hydride-bearing uranium metal corrosion products from Zero Power Physics Reactor (ZPPR) fuel plates was studied using thermo-gravimetric analysis (TGA) in environments of Ar-4%O 2, Ar-9%O 2, and Ar-20%O 2. Ignition of corrosion product samples from two moderately corroded plates was observed between 125°C and 150°C in all environments. The rate of oxidation above the ignition temperature was found to be dependent only on the net flow rate of oxygen in the reacting gas. Due to the higher net oxygen flow rate, burning rates increased with increasing oxygen concentration. Oxidation rates below the ignition temperature were much slower and decreased with increasing test time. The hydride contents of the TGA samples from the two moderately corroded plates, determined from the total weight gain achieved during burning, were 47-61 wt% and 29-39 wt%. Samples from a lightly corroded plate were not reactive; X-ray diffraction (XRD) confirmed that they contained little hydride.

  10. Oxidation kinetics of hydride-bearing uranium metal corrosion products

    International Nuclear Information System (INIS)

    Totemeier, T.C.; Pahl, R.G.; Frank, S.M.

    1998-01-01

    The oxidation behavior of hydride-bearing uranium metal corrosion products from zero power physics reactor (ZPPR) fuel plates was studied using thermo-gravimetric analysis (TGA) in environments of Ar-4%O 2 , Ar-9%O 2 , and Ar-20%O 2 . Ignition of corrosion product samples from two moderately corroded plates was observed between 125 C and 150 C in all environments. The rate of oxidation above the ignition temperature was found to be dependent only on the net flow rate of oxygen in the reacting gas. Due to the higher net oxygen flow rate, burning rates increased with increasing oxygen concentration. Oxidation rates below the ignition temperature were much slower and decreased with increasing test time. The hydride contents of the TGA samples from the two moderately corroded plates, determined from the total weight gain achieved during burning, were 47-61 wt% and 29-39 wt%. Samples from a lightly corroded plate were not reactive; X-ray diffraction (XRD) confirmed that they contained little hydride. (orig.)

  11. Performance study of a hydrogen powered metal hydride actuator

    International Nuclear Information System (INIS)

    Bhuiya, Md Mainul Hossain; Kim, Kwang J

    2016-01-01

    A thermally driven hydrogen powered actuator integrating metal hydride hydrogen storage reactor, which is compact, noiseless, and able to generate smooth actuation, is presented in this article. To test the plausibility of a thermally driven actuator, a conventional piston type actuator was integrated with LaNi 5 based hydrogen storage system. Copper encapsulation followed by compaction of particles into pellets, were adopted to improve overall thermal conductivity of the reactor. The operation of the actuator was thoroughly investigated for an array of operating temperature ranges. Temperature swing of the hydride reactor triggering smooth and noiseless actuation over several operating temperature ranges were monitored for quantification of actuator efficiency. Overall, the actuator generated smooth and consistent strokes during repeated cycles of operation. The efficiency of the actuator was found to be as high as 13.36% for operating a temperature range of 20 °C–50 °C. Stress–strain characteristics, actuation hysteresis etc were studied experimentally. Comparison of stress–strain characteristics of the proposed actuator with traditional actuators, artificial muscles and so on was made. The study suggests that design modification and use of high pressure hydride may enhance the performance and broaden the application horizon of the proposed actuator in future. (paper)

  12. Mossbauer spectroscopy for metal-hydride research

    International Nuclear Information System (INIS)

    Sharma, S.K.

    1984-01-01

    This project is a part of hydrogen research program being developed at the Hawaii Institute of Geophysics in collaboration with Hawaii Natural Energy Institute. The objectives of this ongoing research program are to acquire and develop an advanced high-pressure diamond anvil (DAC) system capable of operating at cryogenic temperature so that liquid hydrogen (H/sub 2/) and deuterium (D/sub 2/) can be loaded in the sample compartment of the low temperature DAC and to develop experimental laser-Raman and Mossbauer spectroscopy and x-ray diffraction techniques for in situ studies of the interaction of fluid hydrogen with metals at high pressures (0.5-100 kbar) and temperatures (25-300 0 C) in the DAC. The authors have already acquired the low-temperature DAC for these investigations

  13. Mathematical modeling of the nickel/metal hydride battery system

    Energy Technology Data Exchange (ETDEWEB)

    Paxton, Blaine Kermit [Univ. of California, Berkeley, CA (United States). Dept. of Chemical Engineering

    1995-09-01

    A group of compounds referred to as metal hydrides, when used as electrode materials, is a less toxic alternative to the cadmium hydroxide electrode found in nickel/cadmium secondary battery systems. For this and other reasons, the nickel/metal hydride battery system is becoming a popular rechargeable battery for electric vehicle and consumer electronics applications. A model of this battery system is presented. Specifically the metal hydride material, LaNi{sub 5}H{sub 6}, is chosen for investigation due to the wealth of information available in the literature on this compound. The model results are compared to experiments found in the literature. Fundamental analyses as well as engineering optimizations are performed from the results of the battery model. In order to examine diffusion limitations in the nickel oxide electrode, a ``pseudo 2-D model`` is developed. This model allows for the theoretical examination of the effects of a diffusion coefficient that is a function of the state of charge of the active material. It is found using present data from the literature that diffusion in the solid phase is usually not an important limitation in the nickel oxide electrode. This finding is contrary to the conclusions reached by other authors. Although diffusion in the nickel oxide active material is treated rigorously with the pseudo 2-D model, a general methodology is presented for determining the best constant diffusion coefficient to use in a standard one-dimensional battery model. The diffusion coefficients determined by this method are shown to be able to partially capture the behavior that results from a diffusion coefficient that varies with the state of charge of the active material.

  14. Hydrogen isotope exchange in a metal hydride tube

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, David B. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2014-09-01

    This report describes a model of the displacement of one hydrogen isotope within a metal hydride tube by a different isotope in the gas phase that is blown through the tube. The model incorporates only the most basic parameters to make a clear connection to the theory of open-tube gas chromatography, and to provide a simple description of how the behavior of the system scales with controllable parameters such as gas velocity and tube radius. A single tube can be seen as a building block for more complex architectures that provide higher molar flow rates or other advanced design goals.

  15. Research in Nickel/Metal Hydride Batteries 2016

    Directory of Open Access Journals (Sweden)

    Kwo-Hsiung Young

    2016-10-01

    Full Text Available Nineteen papers focusing on recent research investigations in the field of nickel/metal hydride (Ni/MH batteries have been selected for this Special Issue of Batteries. These papers summarize the joint efforts in Ni/MH battery research from BASF, Wayne State University, the National Institute of Standards and Technology, Michigan State University, and FDK during 2015–2016 through reviews of basic operational concepts, previous academic publications, issued US Patent and filed Japan Patent Applications, descriptions of current research results in advanced components and cell constructions, and projections of future works.

  16. Low-Cost Metal Hydride Thermal Energy Storage System for Concentrating Solar Power Systems

    Energy Technology Data Exchange (ETDEWEB)

    Zidan, Ragaiy [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Hardy, B. J. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Corgnale, C. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Teprovich, J. A. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Ward, P. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Motyka, Ted [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-01-31

    The objective of this research was to evaluate and demonstrate a metal hydride-based TES system for use with a CSP system. A unique approach has been applied to this project that combines our modeling experience with the extensive material knowledge and expertise at both SRNL and Curtin University (CU). Because of their high energy capacity and reasonable kinetics many metal hydride systems can be charged rapidly. Metal hydrides for vehicle applications have demonstrated charging rates in minutes and tens of minutes as opposed to hours. This coupled with high heat of reaction allows metal hydride TES systems to produce very high thermal power rates (approx. 1kW per 6-8 kg of material). A major objective of this work is to evaluate some of the new metal hydride materials that have recently become available. A problem with metal hydride TES systems in the past has been selecting a suitable high capacity low temperature metal hydride material to pair with the high temperature material. A unique aspect of metal hydride TES systems is that many of these systems can be located on or near dish/engine collectors due to their high thermal capacity and small size. The primary objective of this work is to develop a high enthalpy metal hydride that is capable of reversibly storing hydrogen at high temperatures (> 650 °C) and that can be paired with a suitable low enthalpy metal hydride with low cost materials. Furthermore, a demonstration of hydrogen cycling between the two hydride beds is desired.

  17. 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.

  18. Pore-Confined Light Metal Hydrides for Energy Storage and Catalysis

    NARCIS (Netherlands)

    Bramwell, P.L.|info:eu-repo/dai/nl/371685117

    2017-01-01

    Light metal hydrides have enjoyed several decades of attention in the field of hydrogen storage, but their applications have recently begun to diversify more and more into the broader field of energy storage. For example, light metal hydrides have shown great promise as battery materials, in sensors

  19. Hydrogen storage and evolution catalysed by metal hydride complexes.

    Science.gov (United States)

    Fukuzumi, Shunichi; Suenobu, Tomoyoshi

    2013-01-07

    The storage and evolution of hydrogen are catalysed by appropriate metal hydride complexes. Hydrogenation of carbon dioxide by hydrogen is catalysed by a [C,N] cyclometalated organoiridium complex, [Ir(III)(Cp*)(4-(1H-pyrazol-1-yl-κN(2))benzoic acid-κC(3))(OH(2))](2)SO(4) [Ir-OH(2)](2)SO(4), under atmospheric pressure of H(2) and CO(2) in weakly basic water (pH 7.5) at room temperature. The reverse reaction, i.e., hydrogen evolution from formate, is also catalysed by [Ir-OH(2)](+) in acidic water (pH 2.8) at room temperature. Thus, interconversion between hydrogen and formic acid in water at ambient temperature and pressure has been achieved by using [Ir-OH(2)](+) as an efficient catalyst in both directions depending on pH. The Ir complex [Ir-OH(2)](+) also catalyses regioselective hydrogenation of the oxidised form of β-nicotinamide adenine dinucleotide (NAD(+)) to produce the 1,4-reduced form (NADH) under atmospheric pressure of H(2) at room temperature in weakly basic water. In weakly acidic water, the complex [Ir-OH(2)](+) also catalyses the reverse reaction, i.e., hydrogen evolution from NADH to produce NAD(+) at room temperature. Thus, interconversion between NADH (and H(+)) and NAD(+) (and H(2)) has also been achieved by using [Ir-OH(2)](+) as an efficient catalyst and by changing pH. The iridium hydride complex formed by the reduction of [Ir-OH(2)](+) by H(2) and NADH is responsible for the hydrogen evolution. Photoirradiation (λ > 330 nm) of an aqueous solution of the Ir-hydride complex produced by the reduction of [Ir-OH(2)](+) with alcohols resulted in the quantitative conversion to a unique [C,C] cyclometalated Ir-hydride complex, which can catalyse hydrogen evolution from alcohols in a basic aqueous solution (pH 11.9). The catalytic mechanisms of the hydrogen storage and evolution are discussed by focusing on the reactivity of Ir-hydride complexes.

  20. Superconductivity of ternary metal compounds prepared at high pressures

    CERN Document Server

    Shirotani, I

    2003-01-01

    Various ternary metal phosphides, arsenides, antimonides, silicides and germanides have been prepared at high temperatures and high pressures. These ternary metal compounds can be classified into four groups: [1] metal-rich compounds MM' sub 4 X sub 2 and [2] MM'X, [3] non-metal-rich compounds MXX' and [4] MM' sub 4 X sub 1 sub 2 (M and M' = metal element; X and X' = non-metal element). We have studied the electrical and magnetic properties of these materials at low temperatures, and found many new superconductors with the superconducting transition temperature (T sub c) of above 10 K. The metal-rich compound ZrRu sub 4 P sub 2 with a tetragonal structure showed the superconducting transition at around 11 K, and had an upper critical field (H sub c sub 2) of 12.2 tesla (T) at 0 K. Ternary equiatomic compounds ZrRuP and ZrRuSi crystallize in two modifications, a hexagonal Fe sub 2 P-type structure [h-ZrRuP(Si)] and an orthorhombic Co sub 2 P-type structure [o-ZrRuP(Si)]. Both h-ZrRuP and h-ZrRuSi have rather h...

  1. Electron and nuclear magnetic resonances in compounds and metallic hydrides

    International Nuclear Information System (INIS)

    Brasil Filho, N.

    1985-11-01

    Proton pulsed Nuclear Magnetic Resonance measurements were performed on the metallic hydrides ZrCr 2 H x (x = 2, 3, 4) and ZrV 2 H y (y = 2, 3, 4, 5) as a function of temperature between 180 and 400K. The ultimate aim was the investigation of the relaxation mechanisms in these systems by means of the measurement of both the proton ( 1 H) spin-lattice (T 1 ) and spin-spin (T 2 ) relaxation times and to use these data to obtain information about the diffusive motion of the hydrogen atoms. The diffusional activation energies, the jump frequencies and the Korringa constant, C k , related with the conduction electron contribution to the 1 H relaxation were determined for the above hydrides as a function of hydrogen concentration. Our results were analysed in terms of the relaxation models described by Bloembergen, Purcell and Pound (BPP model) and by Torrey. The Korringa type relaxation due to the conduction electrons in metallic systems was also used to interpret the experimental results. We also present the Electron Paramagnetic Ressonance (EPR) study of Gd 3+ , Nd 3+ and Er 3+ ions as impurities in several AB 3 intermetallic compounds where A = LA, Ce, Y, Sc, Th, Zr and B = Rh, Ir, Pt. The results were analysed in terms of the multiband model previously suggested to explain the behaviour of the resonance parameter in AB 2 Laves Phase compounds. (author) [pt

  2. ACCEPTABILITY ENVELOPE FOR METAL HYDRIDE-BASED HYDROGEN STORAGE SYSTEMS

    Energy Technology Data Exchange (ETDEWEB)

    Hardy, B.; Corgnale, C.; Tamburello, D.; Garrison, S.; Anton, D.

    2011-07-18

    The design and evaluation of media based hydrogen storage systems requires the use of detailed numerical models and experimental studies, with significant amount of time and monetary investment. Thus a scoping tool, referred to as the Acceptability Envelope, was developed to screen preliminary candidate media and storage vessel designs, identifying the range of chemical, physical and geometrical parameters for the coupled media and storage vessel system that allow it to meet performance targets. The model which underpins the analysis allows simplifying the storage system, thus resulting in one input-one output scheme, by grouping of selected quantities. Two cases have been analyzed and results are presented here. In the first application the DOE technical targets (Year 2010, Year 2015 and Ultimate) are used to determine the range of parameters required for the metal hydride media and storage vessel. In the second case the most promising metal hydrides available are compared, highlighting the potential of storage systems, utilizing them, to achieve 40% of the 2010 DOE technical target. Results show that systems based on Li-Mg media have the best potential to attain these performance targets.

  3. Microchip power compensated calorimetry applied to metal hydride characterization

    Energy Technology Data Exchange (ETDEWEB)

    Sepulveda, A.; Lopeandia, A.F.; Domenech-Ferrer, R.; Garcia, G.; Pi, F.; Rodriguez-Viejo, J. [Nanomaterials and Microsystems Group, Physics Department, Universitat Autonoma de Barcelona, 08193 Bellaterra (Spain); Munoz, F.J. [Instituto de Microelectronica de Barcelona, Centro Nacional de Microelectronica, Campus UAB, 08193 Bellaterra (Spain)

    2008-06-15

    In this work, we show the suitability of the thin film membrane-based calorimetric technique to measure kinetically limited phase transitions such as the dehydrogenation of metallic hydrides. Different compounds such as Mg, Mg/Al and Mg{sub 80}Ti{sub 20} have been deposited over the active area of the microchip by electron beam evaporation. After several hydrogenation treatments at different temperatures to induce the hydride formation, calorimetric measurements on the dehydrogenation process of those thin films, either in vacuum or in air, are performed at a heating rate of 10 C/min. We observe a significant reduction in the onset of dehydrogenation for Mg{sub 80}Ti{sub 20} compared with pure Mg or Mg/Al layers, which confirms the beneficial effect of Ti on dehydrogenation. We also show the suitability of the membrane-based nanocalorimeters to be used in parallel with optical methods. Quantification of the energy released during hydrogen desorption remains elusive due to the semi-insulating to metallic transition of the film which affects the calorimetric trace. (author)

  4. Neutron diffraction studies of transition metal hydride complexes

    International Nuclear Information System (INIS)

    Koetzle, T.F.; Bau, R.

    1976-01-01

    Investigations of H 3 Ta(C 5 H 5 ) 2 (III), HW 2 (CO) 9 (NO) (IV), and HW 2 (CO) 8 (NO) (P(OCH 3 ) 3 ) (V) have been completed. Preliminary results are available for HFeCo 3 (CO) 9 [P(OCH 3 ) 3 ] 3 (VII). This work, together with studies of HMo 2 (C 5 H 5 ) 2 (CO) 4 (P(CH 3 ) 2 ) (VI) and [(C 2 H 5 ) 4 N] + [HCr 2 (CO) 10 ] - carried out at Argonne has led to some general observations on the geometry and the nature of bonding in these compounds. For example, in the structures of IV and V, both of which have bent W--H--W linkages (less than W--H--W in the range 125-130 0 ), there is conclusive evidence for the existence of a closed three-center W--H--W bond with significant metal-metal interaction. Such is the case, because extensions of the axial W--C and W--N bonds trans to the hydride intersect at a point near the center of the W--H--W triangle. The geometry of VI, which also contains a bent M--H--M bond, is consistent with that of IV and V. Bridging M--H bonds in these second- and third-row hydrides range in length from 1.85 to 1.89 A, compared to 1.75 A in the first-row polynuclear complex VII. For metals of corresponding rows, bridging M--H bonds are about 0.1 A longer than terminal bonds, which are classified as single covalent bonds

  5. Hydrogen Storage Engineering Center of Excellence Metal Hydride Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Motyka, T. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2014-05-31

    The Hydrogen Storage Engineering Center of Excellence (HSECoE) was established in 2009 by the U.S. Department of Energy (DOE) to advance the development of materials-based hydrogen storage systems for hydrogen-fueled light-duty vehicles. The overall objective of the HSECoE is to develop complete, integrated system concepts that utilize reversible metal hydrides, adsorbents, and chemical hydrogen storage materials through the use of advanced engineering concepts and designs that can simultaneously meet or exceed all the DOE targets. This report describes the activities and accomplishments during Phase 1 of the reversible metal hydride portion of the HSECoE, which lasted 30 months from February 2009 to August 2011. A complete list of all the HSECoE partners can be found later in this report but for the reversible metal hydride portion of the HSECoE work the major contributing organizations to this effort were the United Technology Research Center (UTRC), General Motors (GM), Pacific Northwest National Laboratory (PNNL), the National Renewable Energy Laboratory (NREL) and the Savannah River National Laboratory (SRNL). Specific individuals from these and other institutions that supported this effort and the writing of this report are included in the list of contributors and in the acknowledgement sections of this report. The efforts of the HSECoE are organized into three phases each approximately 2 years in duration. In Phase I, comprehensive system engineering analyses and assessments were made of the three classes of storage media that included development of system level transport and thermal models of alternative conceptual storage configurations to permit detailed comparisons against the DOE performance targets for light-duty vehicles. Phase 1 tasks also included identification and technical justifications for candidate storage media and configurations that should be capable of reaching or exceeding the DOE targets. Phase 2 involved bench-level testing and

  6. Technique for production of calibrated metal hydride films

    International Nuclear Information System (INIS)

    Langley, R.A.; Browning, J.F.; Balsley, S.D.; Banks, J.C.; Doyle, B.L.; Wampler, W.R.; Beavis, L.C.

    1999-01-01

    A technique has been developed for producing calibrated metal hydride films for use in the measurement of high-energy (5--15 MeV) particle reaction cross sections for hydrogen and helium isotopes on hydrogen isotopes. Absolute concentrations of various hydrogen isotopes in the film is expected to be determined to better than ±2% leading to the capacity of accurately measuring various reaction cross sections. Hydrogen isotope concentrations from near 100% to 5% can be made accurately and reproducibly. This is accomplished with the use of high accuracy pressure measurements coupled with high accuracy mass spectrometric measurements of each constituent partial pressure of the gas mixture during loading of the metal occluder films. Various techniques are used to verify the amount of metal present as well as the amount of hydrogen isotopes; high energy ion scattering analysis, PV measurements before, during and after loading, and thermal desorption/mass spectrometry measurements. The most appropriate metal to use for the occluder film appears to be titanium but other occluder metals are also being considered. Calibrated gas ratio samples, previously prepared, are used for the loading gas. Deviations from this calibrated gas ratio are measured using mass spectrometry during and after the loading process thereby determining the loading of the various hydrogen isotopes. These techniques are discussed and pertinent issues presented

  7. 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.

  8. Final report for the DOE Metal Hydride Center of Excellence.

    Energy Technology Data Exchange (ETDEWEB)

    Keller, Jay O.; Klebanoff, Leonard E.

    2012-01-01

    This report summarizes the R&D activities within the U.S. Department of Energy Metal Hydride Center of Excellence (MHCoE) from March 2005 to June 2010. The purpose of the MHCoE has been to conduct highly collaborative and multi-disciplinary applied R&D to develop new reversible hydrogen storage materials that meet or exceed DOE 2010 and 2015 system goals for hydrogen storage materials. The MHCoE combines three broad areas: mechanisms and modeling (which provide a theoretically driven basis for pursuing new materials), materials development (in which new materials are synthesized and characterized) and system design and engineering (which allow these new materials to be realized as practical automotive hydrogen storage systems). This Final Report summarizes the organization and execution of the 5-year research program to develop practical hydrogen storage materials for light duty vehicles. Major results from the MHCoE are summarized, along with suggestions for future research areas.

  9. Metal hydride hydrogen compression: recent advances and future prospects

    Science.gov (United States)

    Yartys, Volodymyr A.; Lototskyy, Mykhaylo; Linkov, Vladimir; Grant, David; Stuart, Alastair; Eriksen, Jon; Denys, Roman; Bowman, Robert C.

    2016-04-01

    Metal hydride (MH) thermal sorption compression is one of the more important applications of the MHs. The present paper reviews recent advances in the field based on the analysis of the fundamental principles of this technology. The performances when boosting hydrogen pressure, along with two- and three-step compression units, are analyzed. The paper includes also a theoretical modelling of a two-stage compressor aimed at describing the performance of the experimentally studied systems, their optimization and design of more advanced MH compressors. Business developments in the field are reviewed for the Norwegian company HYSTORSYS AS and the South African Institute for Advanced Materials Chemistry. Finally, future prospects are outlined presenting the role of the MH compression in the overall development of the hydrogen-driven energy systems. The work is based on the analysis of the development of the technology in Europe, USA and South Africa.

  10. Solutions to commercializing metal hydride hydrogen storage products

    International Nuclear Information System (INIS)

    Tomlinson, J.J.; Belanger, R.

    2004-01-01

    'Full text:' Whilst the concept of a Hydrogen economy in the broad sense may for some analysts and Fuel Cell technology developers be an ever moving target the use of hydrogen exists and is growing in other markets today. The use of hydrogen is increasing. Who are the users? What are their unique needs? How can they better be served? As the use of hydrogen increases there are things we can do to improve the perception and handling of hydrogen as an industrial gas that will impact the future issues of hydrogen as a fuel thereby assisting the mainstream availability of hydrogen fuel a reality. Factors that will induce change in the way hydrogen is used, handled, transported and stored are the factors to concentrate development efforts on. Other factors include: cost; availability; safety; codes and standards; and regulatory authorities acceptance of new codes and standards. New methods of storage and new devices in which the hydrogen is stored will influence and bring about change and increased use. New innovative products based on Metal Hydride hydrogen storage will address some of the barriers to widely distributed hydrogen as a fuel or energy carrier to which successful fuel cell product commercialization is subject. Palcan has developed innovative products based on it's Rare Earth Metal Hydride alloy. Some of these innovations will aid the distribution of hydrogen as a fuel and offer alternatives to the existing hydrogen user and to the Fuel Cell product developer. An overview of the products and how these products will affect the distribution and use of hydrogen as an industrial gas and fuel is presented. (author)

  11. On the thermodynamics of phase transitions in metal hydrides

    Science.gov (United States)

    di Vita, Andrea

    2012-02-01

    Metal hydrides are solutions of hydrogen in a metal, where phase transitions may occur depending on temperature, pressure etc. We apply Le Chatelier's principle of thermodynamics to a particular phase transition in TiH x , which can approximately be described as a second-order phase transition. We show that the fluctuations of the order parameter correspond to fluctuations both of the density of H+ ions and of the distance between adjacent H+ ions. Moreover, as the system approaches the transition and the correlation radius increases, we show -with the help of statistical mechanics-that the statistical weight of modes involving a large number of H+ ions (`collective modes') increases sharply, in spite of the fact that the Boltzmann factor of each collective mode is exponentially small. As a result, the interaction of the H+ ions with collective modes makes a tiny suprathermal fraction of the H+ population appear. Our results hold for similar transitions in metal deuterides, too. A violation of an -insofar undisputed-upper bound on hydrogen loading follows.

  12. Binary and ternary carbides and nitrides of the transition metals and their phase relations

    International Nuclear Information System (INIS)

    Holleck, H.

    1981-01-01

    The occurrance and the structure of the binary and ternary transition metal carbides and nitrides are described. Phase diagrams are assessed for most of the binary and ternary systems. Many ternary phase diagrams are published in this report for the first time. (orig.) [de

  13. Hydrogen storage in the form of metal hydrides

    Science.gov (United States)

    Zwanziger, M. G.; Santana, C. C.; Santos, S. C.

    1984-01-01

    Reversible reactions between hydrogen and such materials as iron/titanium and magnesium/ nickel alloy may provide a means for storing hydrogen fuel. A demonstration model of an iron/titanium hydride storage bed is described. Hydrogen from the hydride storage bed powers a converted gasoline electric generator.

  14. Experimental study of a metal hydride driven braided artificial pneumatic muscle

    Science.gov (United States)

    Vanderhoff, Alexandra; Kim, Kwang J.

    2009-12-01

    This paper reports the experimental study of a new actuation system that couples a braided artificial pneumatic muscle (BAPM) with a metal hydride driven hydrogen compressor to create a compact, lightweight, noiseless system capable of high forces and smooth actuation. The results indicate that the metal hydride-BAPM system has relatively good second law efficiency average of 30% over the desorption cycle. The thermal efficiency is low, due mainly to the highly endothermic chemical reaction that releases the stored hydrogen gas from the metal hydride. The force to metal hydride weight is very high (~14 000 NForce/kgMH) considering that this system has not been optimized to use the minimum amount of metal hydride required for a full actuation stroke of the fluidic muscle. Also, a thermodynamic model for the complete system is developed. The analysis is restricted in some aspects concerning the complexity of the hydriding/dehydriding chemical process of the system and the three-dimensional geometry of the reactor, but it provides a useful comparison to other actuation devices and clearly reveals the parameters necessary for optimization of the actuation system in future work. The system shows comparable work output and has the benefits of biological muscle-like properties for potential use in robotic systems.

  15. Prediction of superconducting ternary hydride MgGeH6: from divergent high-pressure formation routes.

    Science.gov (United States)

    Ma, Yanbin; Duan, Defang; Shao, Ziji; Li, Da; Wang, Liyuan; Yu, Hongyu; Tian, Fubo; Xie, Hui; Liu, Bingbing; Cui, Tian

    2017-10-18

    Invigorated by the high temperature superconductivity in some binary hydrogen-dominated compounds, we systematically explored high-pressure phase diagrams and superconductivity of a ternary Mg-Ge-H system using ab initio methods. Stoichiometric MgGeH 6 with high hydrogen content exhibiting Pm3[combining macron] symmetry was predicted from a series of high-pressure synthesis paths. We performed an in-depth study on three distinct formation routes to MgGeH 6 , i.e., Mg + Ge + 3H 2 → MgGeH 6 , MgGe + 3H 2 → MgGeH 6 and MgH 2 + GeH 4 → MgGeH 6 at high pressures. By directly squeezing three elemental solids Mg + Ge + 3H 2 , we obtained ternary MgGeH 6 at 200 GPa. By adding a little bit of the MgGe alloy into hydrogen, we found that MgGeH 6 can form and stabilize at about 200 GPa. More intriguingly, upon compressing MgH 2 and GeH 4 to 250 GPa, we also predicted the same MgGeH 6 . Electron structure calculations reveal that the cubic MgGeH 6 is a good metal and takes on ionic character. Electron-phonon coupling calculation reveals a large λ = 1.16 for MgGeH 6 at 200 GPa. In particular, we found that ternary MgGeH 6 could be a potential high temperature superconductor with a superconducting transition temperature T c of ∼67 K at 200 GPa.

  16. Investigation of Lithium Metal Hydride Materials for Mitigation of Deep Space Radiation

    Science.gov (United States)

    Rojdev, Kristina; Atwell, William

    2016-01-01

    Radiation exposure to crew, electronics, and non-metallic materials is one of many concerns with long-term, deep space travel. Mitigating this exposure is approached via a multi-faceted methodology focusing on multi-functional materials, vehicle configuration, and operational or mission constraints. In this set of research, we are focusing on new multi-functional materials that may have advantages over traditional shielding materials, such as polyethylene. Metal hydride materials are of particular interest for deep space radiation shielding due to their ability to store hydrogen, a low-Z material known to be an excellent radiation mitigator and a potential fuel source. We have previously investigated 41 different metal hydrides for their radiation mitigation potential. Of these metal hydrides, we found a set of lithium hydrides to be of particular interest due to their excellent shielding of galactic cosmic radiation. Given these results, we will continue our investigation of lithium hydrides by expanding our data set to include dose equivalent and to further understand why these materials outperformed polyethylene in a heavy ion environment. For this study, we used HZETRN 2010, a one-dimensional transport code developed by NASA Langley Research Center, to simulate radiation transport through the lithium hydrides. We focused on the 1977 solar minimum Galactic Cosmic Radiation environment and thicknesses of 1, 5, 10, 20, 30, 50, and 100 g/cm2 to stay consistent with our previous studies. The details of this work and the subsequent results will be discussed in this paper.

  17. Hydrogen metal hydride storage with integrated catalytic recombiner for mobile application

    Energy Technology Data Exchange (ETDEWEB)

    Marinescu-Pasoi, L.; Behrens, U.; Langer, G.; Gramatte, W.; Rastogi, A.K.; Schmitt, R.E. (Battelle-Institut e.V., Frankfurt am Main (DE). Dept. of Energy Technology)

    1991-01-01

    A novel, thermodynamically efficient device is under development at Battelle in Frankfurt, by which the range of hydrogen-driven cars with a metal hydride tank might be roughly doubled. The device makes use of the properties of metal hydrides, combined with catalytic combustion. Its development is funded by the Hessian Ministry of Economic Affairs and Technology; it is to be completed by the end of 1990. High-temperature hydrides (HTH) have about three times the storage capacity of low temperature hydrides (LTH), but require relatively large amounts of heat at high temperatures to release the hydrogen. The exhaust heat from combustion-engine-driven vehicles is insufficient for this, and vehicles with electric (fuel cell) drive produce practically no exhaust heat at all. The Battelle-developed device is a combination of an HTH storage cell, an LTH storage cell and a catalyst. (author).

  18. Optical hydrogen sensors based on metal-hydrides

    Science.gov (United States)

    Slaman, M.; Westerwaal, R.; Schreuders, H.; Dam, B.

    2012-06-01

    For many hydrogen related applications it is preferred to use optical hydrogen sensors above electrical systems. Optical sensors reduce the risk of ignition by spark formation and are less sensitive to electrical interference. Currently palladium and palladium alloys are used for most hydrogen sensors since they are well known for their hydrogen dissociation and absorption properties at relatively low temperatures. The disadvantages of palladium in sensors are the low optical response upon hydrogen loading, the cross sensitivity for oxygen and carbon, the limited detection range and the formation of micro-cracks after some hydrogen absorption/desorption cycles. In contrast to Pd, we find that the use of magnesium or rear earth bases metal-hydrides in optical hydrogen sensors allow tuning of the detection levels over a broad pressure range, while maintaining a high optical response. We demonstrate a stable detection layer for detecting hydrogen below 10% of the lower explosion limit in an oxygen rich environment. This detection layer is deposited at the bare end of a glass fiber as a micro-mirror and is covered with a thin layer of palladium. The palladium layer promotes the hydrogen uptake at room temperature and acts as a hydrogen selective membrane. To protect the sensor for a long time in air a final layer of a hydrophobic fluorine based coating is applied. Such a sensor can be used for example as safety detector in automotive applications. We find that this type of fiber optic hydrogen sensor is also suitable for hydrogen detection in liquids. As example we demonstrate a sensor for detecting a broad range of concentrations in transformer oil. Such a sensor can signal a warning when sparks inside a high voltage power transformer decompose the transformer oil over a long period.

  19. Metal hydride heat pump engineering demonstration and evaluation model

    Science.gov (United States)

    Lynch, Franklin E.

    1993-01-01

    Future generations of portable life support systems (PLSS's) for space suites (extravehicular mobility units or EMU's) may require regenerable nonventing thermal sinks (RNTS's). For purposes of mobility, a PLSS must be as light and compact as possible. Previous venting PLSS's have employed water sublimators to reject metabolic and equipment heat from EMU's. It is desirable for long-duration future space missions to minimize the use of water and other consumables that need to be periodically resupplied. The emission of water vapor also interferes with some types of instrumentation that might be used in future space exploration. The test article is a type of RNTS based on a metal hydride heat pump (MHHP). The task of reservicing EMU's after use must be made less demanding in terms of time, procedures, and equipment. The capability for quick turnaround post-EVA servicing (30 minutes) is a challenging requirement for many of the RNTS options. The MHHP is a very simple option that can be regenerated in the airlock within the 30 minute limit by the application of a heating source and a cooling sink. In addition, advanced PLSS's must provide a greater degree of automatic control, relieving astronauts of the need to manually adjust temperatures in their liquid cooled ventilation garments (LCVG's). The MHHP includes automatic coolant controls with the ability to follow thermal load swings from minimum to maximum in seconds. The MHHP includes a coolant loop subsystem with pump and controls, regeneration equipment for post-EVA servicing, and a PC-based data acquisition and control system (DACS).

  20. Search for ideal metal hydrides for PEMFC applications

    International Nuclear Information System (INIS)

    Perng, T.-P.; Shen, C.-C.

    2004-01-01

    'Full text:' Previously, an LmNi5-based alloy was prepared and its hydrogenation properties were studied. In order to make use of such a type of metal hydride for application in PEMFC, the room-temperature desorption pressure has to be adjusted to 1-2atm and the cyclic stability has to be maintained. In this study, the same alloy was partially substituted with Al and cyclic hydrogenation was conducted with different hydrogen loadings up to 3000 cycles at room temperature. The saturated hydrogen loadings in equilibrium were controlled at H/M = 0.75 and 1.0. The P-C-T curves after 1000, 2000, and 3000 cycles of test were collected at T=30, 50, and 70 o C. After 3000 cycles, it is observed that the maximum hydrogenation capacities of the samples for the loadings of 0.75 and 1.0 are reduced to 0.93 and 0.91, respectively. The plateaus do not change much for T=30 and 50 o C, but become little sloped without observable split at 70 o C. X-ray diffraction analysis shows that the strains associated with repeated hydrogenation are isotropic for all samples. Both unsubstituted and Al-substituted alloys were then used to store hydrogen in a small cylinder with a diameter 10mm and length of 40 mm. The cylinder was connected to a small PEMFC for discharge test at room temperature. More than 540ml H2 was released at below 2atm and discharged to a capacity of 1200mAh. The hydrogenation properties of the alloys and design of the hydrogen storage cylinder for application in small portable PEMFCs for electronic devices are evaluated. The effect of Al substitution and hydrogen loading on cyclic hydrogenation property of the LmNi5-based alloy is also discussed. (author)

  1. Experimental study of a metal hydride driven braided artificial pneumatic muscle

    International Nuclear Information System (INIS)

    Vanderhoff, Alexandra; Kim, Kwang J

    2009-01-01

    This paper reports the experimental study of a new actuation system that couples a braided artificial pneumatic muscle (BAPM) with a metal hydride driven hydrogen compressor to create a compact, lightweight, noiseless system capable of high forces and smooth actuation. The results indicate that the metal hydride–BAPM system has relatively good second law efficiency average of 30% over the desorption cycle. The thermal efficiency is low, due mainly to the highly endothermic chemical reaction that releases the stored hydrogen gas from the metal hydride. The force to metal hydride weight is very high (∼14 000 N Force /kg MH ) considering that this system has not been optimized to use the minimum amount of metal hydride required for a full actuation stroke of the fluidic muscle. Also, a thermodynamic model for the complete system is developed. The analysis is restricted in some aspects concerning the complexity of the hydriding/dehydriding chemical process of the system and the three-dimensional geometry of the reactor, but it provides a useful comparison to other actuation devices and clearly reveals the parameters necessary for optimization of the actuation system in future work. The system shows comparable work output and has the benefits of biological muscle-like properties for potential use in robotic systems

  2. Kinetic behaviour of low-Co AB5-type metal hydride electrodes

    International Nuclear Information System (INIS)

    Tliha, M.; Boussami, S.; Mathlouthi, H.; Lamloumi, J.; Percheron-Guegan, A.

    2010-01-01

    The kinetic behaviour of the LaNi 3.55 Mn 0.4 Al 0.3 Co 0.4 Fe 0.35 metal hydride, used as a negative electrode in the nickel/metal hydride (Ni/MH) batteries, was investigated using electrochemical impedance spectroscopy (EIS) at different state of charge (SOC). Impedance measurements were performed in the frequency range from 50 kHz to 1 mHz. Electrochemical impedance spectrum of the metal hydride electrode was interpreted by an equivalent circuit including the different electrochemical processes taking place on the interface between the MH electrode and the electrolyte. Electrochemical kinetic parameters such as the charge-transfer resistance R tc , the exchange current density I 0 and the hydrogen diffusion coefficient D H were determined at different state of charge. The results of EIS measurements indicate that the electrochemical reaction activity of the LaNi 3.55 Mn 0.4 Al 0.3 Co 0.4 Fe 0.35 metal hydride electrode was markedly improved with increasing state of charge (SOC). The transformation α-β is probably a limiting step in the mechanisms of hydrogenation of metal hydride electrode.

  3. Hydrogen generation using silicon nanoparticles and their mixtures with alkali metal hydrides

    Science.gov (United States)

    Patki, Gauri Dilip

    mole of Si. We compare our silicon nanoparticles (˜10nm diameter) with commercial silicon nanopowder (rate upon decreasing the particle size to 10 nm was even greater than would be expected based upon the increase in surface area. While specific surface area increased by a factor of 6 in going from rate increased by a factor of 150. However, in all cases, silicon requires a base (e.g. NaOH, KOH, hydrazine) to catalyze its reaction with water. Metal hydrides are also promising hydrogen storage materials. The optimum metal hydride would possess high hydrogen storage density at moderate temperature and pressure, release hydrogen safely and controllably, and be stable in air. Alkali metal hydrides have high hydrogen storage density, but exhibit high uncontrollable reactivity with water. In an attempt to control this explosive nature while maintaining high storage capacity, we mixed our silicon nanoparticles with the hydrides. This has dual benefits: (1) the hydride- water reaction produces the alkali hydroxide needed for base-catalyzed silicon oxidation, and (2) dilution with 10nm coating by, the silicon may temper the reactivity of the hydride, making the process more controllable. Initially, we analyzed hydrolysis of pure alkali metal hydrides and alkaline earth metal hydrides. Lithium hydride has particularly high hydrogen gravimetric density, along with faster reaction kinetics than sodium hydride or magnesium hydride. On analysis of hydrogen production we found higher hydrogen yield from the silicon nanoparticle—metal hydride mixture than from pure hydride hydrolysis. The silicon-hydride mixtures using our 10nm silicon nanoparticles produced high hydrogen yield, exceeding the theoretical yield. Some evidence of slowing of the hydride reaction rate upon addition of silicon nanoparticles was observed.

  4. Halo Formation During Solidification of Refractory Metal Aluminide Ternary Systems

    Science.gov (United States)

    D'Souza, N.; Feitosa, L. M.; West, G. D.; Dong, H. B.

    2018-02-01

    The evolution of eutectic morphologies following primary solidification has been studied in the refractory metal aluminide (Ta-Al-Fe, Nb-Al-Co, and Nb-Al-Fe) ternary systems. The undercooling accompanying solid growth, as related to the extended solute solubility in the primary and secondary phases can be used to account for the evolution of phase morphologies during ternary eutectic solidification. For small undercooling, the conditions of interfacial equilibrium remain valid, while in the case of significant undercooling when nucleation constraints occur, there is a departure from equilibrium leading to unexpected phases. In Ta-Al-Fe, an extended solubility of Fe in σ was observed, which was consistent with the formation of a halo of μ phase on primary σ. In Nb-Al-Co, a halo of C14 is formed on primary CoAl, but very limited vice versa. However, in the absence of a solidus projection it was not possible to definitively determine the extended solute solubility in the primary phase. In Nb-Al-Fe when nucleation constraints arise, the inability to initiate coupled growth of NbAl3 + C14 leads to the occurrence of a two-phase halo of C14 + Nb2Al, indicating a large undercooling and departure from equilibrium.

  5. High-efficiency heat pump technology using metal hydrides (eco-energy city project)

    Energy Technology Data Exchange (ETDEWEB)

    Morita, Y.; Harada, T.; Niikura, J.; Yamamoto, Y.; Suzuki, J. [Human Environmental Systems Development Center, Matsushita Electric Industrial Co., Ltd., Moriguchi, Osaka (Japan); Gamo, T. [Corporate Environmental Affairs Div., Matsushita Electric Industrial Co., Ltd., Kadoma, Osaka (Japan)

    1999-07-01

    Metal hybrides are effective materials for utilizing hydrogen as a clean energy medium. That is, when the metal hydrides absorb or desorb the hydrogen, a large heat output of reaction occurs. So, the metal hydrides can be applied to a heat pump. We have researched on a high efficiency heat pump technology using their metal hydrides. In this report, a double effect type metal hydride heat pump configuration is described in which the waste heat of 160 C is recovered in a factory cite and transported to areas far distant from the industrial district. In the heat recovery unit, a low pressure hydrogen is converted into highly effective high pressure hydrogen by applying the metal hydrides. Other metal hydrides perform the parts of heating by absorbing the hydrogen and cooling by desorbing the hydrogen in the heat supply unit. One unit scale of the system is 3 kW class as the sum of heating and cooling. This system using the hydrogen absorbing alloy also has good energy storage characteristics and ambient hydrogen pressure self-safety control ability. Furthermore, this heating and cooling heat supply system is not harmful to the natural environment because it is a chlorofluorocarbon-free, and low noise type system. We have developed in the following element technologies to attain the above purposes, that is development of hydrogen absorbing alloys with high heat outputs and technologies to construct the heat pump system. This study is proceeded at present as one of the programs in New Sunshine Project, which aims for development of ingenious energy utilization technology to achieve reduction of primary energy consumption with keeping cultural and wealthy life and preventing deterioration of global environment. (orig.)

  6. Modeling of electrochemical hydrogen storage in metal hydride electrodes

    NARCIS (Netherlands)

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

    2010-01-01

    The recently presented Electrochemical Kinetic Model (EKM), describing the electrochemical hydrogen storage in hydride-forming materials, has been extended by the description of the solid/electrolyte interface, i.e. the charge transfer kinetics and electrical double layer charging. A complete set of

  7. Modeling of electrochemical hydrogen storage in metal hydride electrodes

    NARCIS (Netherlands)

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

    2010-01-01

    The recently presented electrochemical kinetic model, describing the electrochemical hydrogen storage in hydride-forming materials, was extended by the description of the solid/electrolyte interface, i.e., the charge-transfer kinetics and electrical double-layer charging. A complete set of equations

  8. Effect of preparation method of metal hydride electrode on efficiency of hydrogen electrosorption process

    Energy Technology Data Exchange (ETDEWEB)

    Giza, Krystyna [Czestochowa University of Technology (Poland). Faculty of Production Engineering and Materials Technology; Drulis, Henryk [Trzebiatowski Institute of Low Temperatures and Structure Research PAS, Wroclaw (Poland)

    2016-02-15

    The preparation of negative electrodes for nickel-metal hydride batteries using LaNi{sub 4.3}Co{sub 0.4}Al{sub 0.3} alloy is presented. The constant current discharge technique is employed to determine the discharge capacity, the exchange current density and the hydrogen diffusion coefficient of the studied electrodes. The electrochemical performance of metal hydride electrode is strongly affected by preparation conditions. The results are compared and the advantages and disadvantages of preparation methods of the electrodes are also discussed.

  9. Development of Hydrogen Storage Tank Systems Based on Complex Metal Hydrides

    Directory of Open Access Journals (Sweden)

    Morten B. Ley

    2015-09-01

    Full Text Available This review describes recent research in the development of tank systems based on complex metal hydrides for thermolysis and hydrolysis. Commercial applications using complex metal hydrides are limited, especially for thermolysis-based systems where so far only demonstration projects have been performed. Hydrolysis-based systems find their way in space, naval, military and defense applications due to their compatibility with proton exchange membrane (PEM fuel cells. Tank design, modeling, and development for thermolysis and hydrolysis systems as well as commercial applications of hydrolysis systems are described in more detail in this review. For thermolysis, mostly sodium aluminum hydride containing tanks were developed, and only a few examples with nitrides, ammonia borane and alane. For hydrolysis, sodium borohydride was the preferred material whereas ammonia borane found less popularity. Recycling of the sodium borohydride spent fuel remains an important part for their commercial viability.

  10. Development of Hydrogen Storage Tank Systems Based on Complex Metal Hydrides

    Science.gov (United States)

    Ley, Morten B.; Meggouh, Mariem; Moury, Romain; Peinecke, Kateryna; Felderhoff, Michael

    2015-01-01

    This review describes recent research in the development of tank systems based on complex metal hydrides for thermolysis and hydrolysis. Commercial applications using complex metal hydrides are limited, especially for thermolysis-based systems where so far only demonstration projects have been performed. Hydrolysis-based systems find their way in space, naval, military and defense applications due to their compatibility with proton exchange membrane (PEM) fuel cells. Tank design, modeling, and development for thermolysis and hydrolysis systems as well as commercial applications of hydrolysis systems are described in more detail in this review. For thermolysis, mostly sodium aluminum hydride containing tanks were developed, and only a few examples with nitrides, ammonia borane and alane. For hydrolysis, sodium borohydride was the preferred material whereas ammonia borane found less popularity. Recycling of the sodium borohydride spent fuel remains an important part for their commercial viability. PMID:28793541

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

    DEFF Research Database (Denmark)

    Payandeh GharibDoust, SeyedHosein

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-02-14

    UOP LLC, a Honeywell Company, Ford Motor Company, and Striatus, Inc., collaborated with Professor Craig Jensen of the University of Hawaii and Professor Vidvuds Ozolins of University of California, Los Angeles on a multi-year cost-shared program to discover novel complex metal hydrides for hydrogen storage. This innovative program combined sophisticated molecular modeling with high throughput combinatorial experiments to maximize the probability of identifying commercially relevant, economical hydrogen storage materials with broad application. A set of tools was developed to pursue the medium throughput (MT) and high throughput (HT) combinatorial exploratory investigation of novel complex metal hydrides for hydrogen storage. The assay programs consisted of monitoring hydrogen evolution as a function of temperature. This project also incorporated theoretical methods to help select candidate materials families for testing. The Virtual High Throughput Screening served as a virtual laboratory, calculating structures and their properties. First Principles calculations were applied to various systems to examine hydrogen storage reaction pathways and the associated thermodynamics. The experimental program began with the validation of the MT assay tool with NaAlH4/0.02 mole Ti, the state of the art hydrogen storage system given by decomposition of sodium alanate to sodium hydride, aluminum metal, and hydrogen. Once certified, a combinatorial 21-point study of the NaAlH4 LiAlH4Mg(AlH4)2 phase diagram was investigated with the MT assay. Stability proved to be a problem as many of the materials decomposed during synthesis, altering the expected assay results. This resulted in repeating the entire experiment with a mild milling approach, which only temporarily increased capacity. NaAlH4 was the best performer in both studies and no new mixed alanates were observed, a result consistent with the VHTS. Powder XRD suggested that the reverse reaction, the regeneration of the

  13. Variations of structure and magnetic properties in UTGe hydrides (T=late transition metal)

    Czech Academy of Sciences Publication Activity Database

    Adamska, A.M.; Havela, L.; Skourski, Y.; Andreev, Alexander V.

    2012-01-01

    Roč. 515, FEB (2012), s. 171-179 ISSN 0925-8388 Institutional research plan: CEZ:AV0Z10100520 Keywords : actinide allos and compounds * metal hydrides * crystal structure * magnetic meaurements * high magnetic fields Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.390, year: 2012

  14. The impact of carbon materials on the hydrogen storage properties of light metal hydrides

    NARCIS (Netherlands)

    Adelhelm, P.A.; de Jongh, P.E.

    2011-01-01

    The safe and efficient storage of hydrogen is still one of the remaining challenges towards fuel cell powered cars. Metal hydrides are a promising class of materials as they allow the storage of large amounts of hydrogen in a small volume at room temperature and low pressures. However, usually the

  15. Synthesis and Characterization of Novel Ternary and Quaternary Alkali Metal Thiophosphates

    KAUST Repository

    Alahmary, Fatimah S.

    2014-01-01

    The ongoing development of nonlinear optical (NLO) crystals such as coherent mid-IR sources focuses on various classes of materials such as ternary and quaternary metal chalcophosphates. In case of thiophosphates, the connection between PS4

  16. Interaction of electrons with light metal hydrides in the transmission electron microscope.

    Science.gov (United States)

    Wang, Yongming; Wakasugi, Takenobu; Isobe, Shigehito; Hashimoto, Naoyuki; Ohnuki, Somei

    2014-12-01

    Transmission electron microscope (TEM) observation of light metal hydrides is complicated by the instability of these materials under electron irradiation. In this study, the electron kinetic energy dependences of the interactions of incident electrons with lithium, sodium and magnesium hydrides, as well as the constituting element effect on the interactions, were theoretically discussed, and electron irradiation damage to these hydrides was examined using in situ TEM. The results indicate that high incident electron kinetic energy helps alleviate the irradiation damage resulting from inelastic or elastic scattering of the incident electrons in the TEM. Therefore, observations and characterizations of these materials would benefit from increased, instead decreased, TEM operating voltage. © The Author 2014. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  17. Bed geometries, fueling strategies and optimization of heat exchanger designs in metal hydride storage systems for automotive applications: A review

    DEFF Research Database (Denmark)

    Mazzucco, Andrea; Dornheim, Martin; Sloth, Michael

    2014-01-01

    This review presents recent developments for effective heat management systems to be integrated in metal hydride storage tanks, and investigates the performance improvements and limitations of each particular solution. High pressures and high temperatures metal hydrides can lead to different design...... given to metal hydride storage tanks for light duty vehicles, since this application is the most promising one for such storage materials and has been widely studied in the literature. Enhancing cooling/heating during hydrogen uptake and discharge has found to be essential to improve storage systems...

  18. 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)

  19. Recovery Of Electrodic Powder From Spent Nickel-Metal Hydride Batteries (NiMH

    Directory of Open Access Journals (Sweden)

    Shin S.M.

    2015-06-01

    Full Text Available This study was focused on recycling process newly proposed to recover electrodic powder enriched in nickel (Ni and rare earth elements (La and Ce from spent nickel-metal hydride batteries (NiMH. In addition, this new process was designed to prevent explosion of batteries during thermal treatment under inert atmosphere. Spent nickel metal hydride batteries were heated over range of 300°C to 600°C for 2 hours and each component was completely separated inside reactor after experiment. Electrodic powder was successfully recovered from bulk components containing several pieces of metals through sieving operation. The electrodic powder obtained was examined by X-ray diffraction (XRD and energy dispersive X-ray spectroscopy (EDX and image of the powder was taken by scanning electron microscopy (SEM. It was finally found that nickel and rare earth elements were mainly recovered to about 45 wt.% and 12 wt.% in electrodic powder, respectively.

  20. Interface Enthalpy-Entropy Competition in Nanoscale Metal Hydrides

    Directory of Open Access Journals (Sweden)

    Nicola Patelli

    2018-01-01

    Full Text Available We analyzed the effect of the interfacial free energy on the thermodynamics of hydrogen sorption in nano-scaled materials. When the enthalpy and entropy terms are the same for all interfaces, as in an isotropic bi-phasic system, one obtains a compensation temperature, which does not depend on the system size nor on the relative phase abundance. The situation is different and more complex in a system with three or more phases, where the interfaces have different enthalpy and entropy. We also consider the possible effect of elastic strains on the stability of the hydride phase and on hysteresis. We compare a simple model with experimental data obtained on two different systems: (1 bi-phasic nanocomposites where ultrafine TiH2 crystallite are dispersed within a Mg nanoparticle and (2 Mg nanodots encapsulated by different phases.

  1. 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

  2. Rapid hydrogen charging on metal hydride negative electrode of Fuel Cell/Battery (FCB) systems

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Bokkyu; Lee, Sunmook; Kawai, Hiroyuki; Fushimi, Chihiro; Tsutsumi, Atsushi [Collaborative Research Center for Energy Engineering, Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505 (Japan)

    2009-02-15

    The characteristics of rapid gaseous H{sub 2} charging/electrochemical discharging of the metal hydride negative electrode were investigated for the application in Fuel Cell/Battery (FCB) systems. They were evaluated with the H{sub 2} gas absorption, followed by the subsequent electrochemical discharging in the electrolyte solution (6M KOH). Then, the cyclability of charge-discharge was also examined. It was observed that more than 70% of the theoretical capacity was charged within 10 min with 0.3 MPa and 0.5 MPa of the initial H{sub 2} pressures. The electrochemical discharge curve showed that more than 86% of the absorbed H{sub 2} was discharged. Furthermore, the cycled charge-discharge process indicated that the H{sub 2} gas charge and electrochemical discharge process is an effective way to rapidly charge and activate the metal hydride without degeneration. (author)

  3. In-bed accountability of tritium in production scale metal hydride storage beds

    International Nuclear Information System (INIS)

    Klein, J.E.

    1995-01-01

    An ''in-bed accountability'' (IBA) flowing gas calorimetric measurement method has been developed and implemented to eliminate the need to remove tritium from production scale metal hydride storage beds for inventory measurement purposes. Six-point tritium IBA calibration curves have been completed for two, 390 gram tritium metal hydride storage beds. The calibration curves for the two tritium beds are similar to those obtained from the ''cold'' test program. Tritium inventory errors at the 95 percent confidence level ranged from ± 7.3 to 8.6 grams for the cold test results compared to ± 4.2 to 7.5 grams obtained for the two tritium calibrated beds

  4. Characterization of the whiskerlike products formed by hydriding magnesium metal powders

    DEFF Research Database (Denmark)

    Herley, P. J.; Jones, W.; Vigeholm, Bjørn

    1985-01-01

    The structure of filamentary crystals produced during the hydriding of magnesium powder has been studies in detail. The needles of small dimensions (typically 0.5 μm in diameter) have been identified by electron analytical techniques to be oriented microcrystals of metallic magnesium. Their forma......The structure of filamentary crystals produced during the hydriding of magnesium powder has been studies in detail. The needles of small dimensions (typically 0.5 μm in diameter) have been identified by electron analytical techniques to be oriented microcrystals of metallic magnesium....... Their formation has been ascribed to the melting of localized aluminum impurities within the bulk magnesium to form a liquid eutectic. In the presence of sublimed magnesium vapor and hydrogen (as a carrier gas) a vapor-liquid-solid mechanism operates to produce a rapid unidirectional extension followed...

  5. Alternatives for metal hydride storage bed heating and cooling

    International Nuclear Information System (INIS)

    Fisher, I.A.; Ramirez, F.B.; Koonce, J.E.; Ward, D.E.; Heung, L.K.; Weimer, M.; Berkebile, W.; French, S.T.

    1991-01-01

    The reaction of hydrogen isotopes with the storage bed hydride material is exothermic during absorption and endothermic during desorption. Therefore, storage bed operation requires a cooling system to remove heat during absorption, and a heating system to add the heat needed for desorption. Three storage bed designs and their associated methods of heating and cooling and accountability are presented within. The first design is the current RTF (Replacement Tritium Facility) nitrogen heating and cooling system. The second design uses natural convection cooling with ambient glove box nitrogen and electrical resistance for heating. This design is referred to as the Naturally Cooled/Electrically Heated (NCEH) design. The third design uses forced convection cooling with ambient glove box nitrogen and electrical resistance for heating. The design is referred to as the Forced Convection Cooled/Electrically Heated (FCCEH) design. In this report the operation, storage bed design, and equipment required for heating, cooling, and accountability of each design are described. The advantages and disadvantages of each design are listed and discussed. Based on the information presented within, it is recommended that the NCEH design be selected for further development

  6. Develop improved metal hydride technology for the storage of hydrogen. Final technical report

    Energy Technology Data Exchange (ETDEWEB)

    Sapru, K.

    1998-12-04

    The overall objective was to develop commercially viable metal hydrides capable of reversibly storing at least 3 wt.% hydrogen for use with PEM fuel cells and hydrogen fueled internal combustion engine (HICE) applications. Such alloys are expected to result in system capacities of greater than 2 wt.%, making metal hydride storage systems (MHSS`s) a practical means of supplying hydrogen for many consumer applications. ECD`s (Energy Conversion Devices, Inc.) past work on sputtered thin films of transition metal-based alloys led to the commercialization of it`s nickel/metal hydride batteries, and similar work on thin film Mg-based alloys demonstrated potential to achieve very high gravimetric and volumetric energy densities approaching 2,500 Wh/Kg and 2,500 Wh/M{sup 3} respectively. Under this 2-year cost shared project with the DOE, the authors have successfully demonstrated the feasibility of scaling up the Mg-based hydrides from thin film to bulk production without substantial loss of storage capacity. ECD made progress in alloy development by means of compositional and process modification. Processes used include Mechanical Alloying, Melt spinning and novel Gas Phase Condensation. It was showed that the same composition when prepared by melt-spinning resulted in a more homogeneous material having a higher PCT plateau pressure as compared to mechanical alloying. It was also shown that mechanically alloyed Mg-Al-Zn results in much higher plateau pressures, which is an important step towards reducing the desorption temperature. While significant progress has been made during the past two years in alloy development and understanding the relationship between composition, structure, morphology, and processing parameters, additional R and D needs to be performed to achieve the goals of this work.

  7. Application of hydrogen isotopes and metal hydrides in future energy source

    Energy Technology Data Exchange (ETDEWEB)

    Guoqiang, Jiang [Sichuan Inst. of Materials and Technology, Chengdu, SC (China)

    1994-12-01

    The probable application of hydrogen isotopes and metal hydrides to future energy source is reviewed. Starting from existing state of China`s energy source, the importance for developing hydrogen energy and fusion energy is explained. It is suggested that the application investigation of hydrogen energy and hydrogen storage materials should be spurred and encouraged; keeping track of the development on tritium technology for fusion reactor is stressed.

  8. Application of hydrogen isotopes and metal hydrides in future energy source

    International Nuclear Information System (INIS)

    Jiang Guoqiang

    1994-12-01

    The probable application of hydrogen isotopes and metal hydrides to future energy source is reviewed. Starting from existing state of China's energy source, the importance for developing hydrogen energy and fusion energy is explained. It is suggested that the application investigation of hydrogen energy and hydrogen storage materials should be spurred and encouraged; keeping track of the development on tritium technology for fusion reactor is stressed

  9. High Density Hydrogen Storage in Metal Hydride Composites with Air Cooling

    OpenAIRE

    Dieterich, Mila; Bürger, Inga; Linder, Marc

    2015-01-01

    INTRODUCTION In order to combine fluctuating renewable energy sources with the actual demand of electrical energy, storages are essential. The surplus energy can be stored as hydrogen to be used either for mobile use, chemical synthesis or reconversion when needed. One possibility to store the hydrogen gas at high volumetric densities, moderate temperatures and low pressures is based on a chemical reaction with metal hydrides. Such storages must be able to absorb and desorb the hydrogen qu...

  10. Generalized computational model for high-pressure metal hydrides with variable thermal properties

    DEFF Research Database (Denmark)

    Mazzucco, Andrea; Rokni, Masoud

    2015-01-01

    This study considers a detailed 1D fueling model applied to a metal hydride system, with Ti1.1CrMn as the absorbing alloy, to predict the weight fraction of the absorbed hydrogen and the solid bed temperature. Dependencies of thermal conductivity and specific heat capacity upon pressure...... is estimated to be approximately 10%. Copyright (C) 2015, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved....

  11. Design of Hydrogen Storage Alloys/Nanoporous Metals Hybrid Electrodes for Nickel-Metal Hydride Batteries

    Science.gov (United States)

    Li, M. M.; Yang, C. C.; Wang, C. C.; Wen, Z.; Zhu, Y. F.; Zhao, M.; Li, J. C.; Zheng, W. T.; Lian, J. S.; Jiang, Q.

    2016-06-01

    Nickel metal hydride (Ni-MH) batteries have demonstrated key technology advantages for applications in new-energy vehicles, which play an important role in reducing greenhouse gas emissions and the world’s dependence on fossil fuels. However, the poor high-rate dischargeability of the negative electrode materials—hydrogen storage alloys (HSAs) limits applications of Ni-MH batteries in high-power fields due to large polarization. Here we design a hybrid electrode by integrating HSAs with a current collector of three-dimensional bicontinuous nanoporous Ni. The electrode shows enhanced high-rate dischargeability with the capacity retention rate reaching 44.6% at a discharge current density of 3000 mA g-1, which is 2.4 times that of bare HSAs (18.8%). Such a unique hybrid architecture not only enhances charge transfer between nanoporous Ni and HSAs, but also facilitates rapid diffusion of hydrogen atoms in HSAs. The developed HSAs/nanoporous metals hybrid structures exhibit great potential to be candidates as electrodes in high-performance Ni-MH batteries towards applications in new-energy vehicles.

  12. Reflectance properties of one-dimensional metal-dielectric ternary photonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, G. N., E-mail: gnpandey2009@gmail.com [Department of Physics, Amity Institute of Applied Sciences, AmityUniversity, Noida (U.P.) (India); Kumar, Narendra [Department of Physics (CASH), Modi University of Science and Technology, Lakshmangarh, Sikar, Rajsthan (India); Thapa, Khem B. [Department of Physics, U I E T, ChhatrapatiShahu Ji Maharaj University, Kanpur- (UP) (India); Ojha, S. P. [Department of Physics IIT, Banaras Hindu University (India)

    2016-05-06

    Metallic photonic crystal has a very important application in absorption enhancement in solar cells. It has been found that an ultra-thin metallic layer becomes transparent due to internal scattering of light through the each interface of the dielectric and metal surfaces. The metal has absorption due to their surface plasmon and the plasmon has important parameters for changing optical properties of the metal. We consider ternary metallic-dielectric photonic crystal (MDPC) for having large probabilities to change the optical properties of the MDPC and the photonic crystals may be changed by changing dimensionality, symmetry, lattice parameters, Filling fraction and effective refractive index refractive index contrast. In this present communication, we try to show that the photonic band gap in ternary metal-dielectric photonic crystal can be significantly enlarged when air dielectric constant is considered. All the theoretical analyses are made based on the transfer matrix method together with the Drude model of metal.

  13. Synthesis of hydrides of some metals in macrocrystalline state

    International Nuclear Information System (INIS)

    Fokin, V.N.; Fokina, Eh.Eh.; Shilkin, S.P.

    1996-01-01

    Yttrium and lanthanum trihydrides from compact metals and titanium, zirconium and vanadium dihydrides from the relevant metallic powder have been prepared at room temperature under the pressure of 0.5-3.0 MPa, and with the temperature increase up to 150-200 deg C calcium, strontium and barium dihydrides from compact metals have been prepared by means of hydrogenation with high-purity hydrogen featuring a high chemical activity. 15 refs., 1 tab

  14. Theoretical study of a novel solar trigeneration system based on metal hydrides

    International Nuclear Information System (INIS)

    Meng, Xiangyu; Yang, Fusheng; Bao, Zewei; Deng, Jianqiang; Serge, Nyallang N.; Zhang, Zaoxiao

    2010-01-01

    In order to utilize the low grade heat energy efficiently, the preliminary scheme of a metal hydride based Combined Cooling, Heating and Power (CCHP) system driven by solar energy and industrial waste heat was proposed, in which both refrigeration and power generation are achieved. Following a step-by-step procedure recently developed by the authors, two pairs of metal hydrides were selected for the CCHP system. The working principle of the system was discussed in detail and further design of the configuration for CCHP was conducted. Based on the cycle mentioned above, the models of energy conversion and exergy analysis were set up. The multi-element valued method was used to assess the performance of the CCHP system in a whole sense, thus the analysis of influence factors on the system performance can be carried out. The typical climate conditions of Xi'an in 2005 were taken for discussion, and the results showed that the system performance is mainly affected by the quantity of solar radiation energy. The objective of the system's optimization is to increase the exergy efficiency of the metal hydride heat pump, based on the quantity of solar radiation energy. The comparison with two different traditional types of CCHP systems proved that the novel CCHP system is superior to the traditional CCHP systems concerning the integrated performance.

  15. Minimum Entropy Generation Theorem Investigation and Optimization of Metal Hydride Alloy Hydrogen Storage

    Directory of Open Access Journals (Sweden)

    Chi-Chang Wang

    2014-05-01

    Full Text Available The main purpose of this paper is to carry out numerical simulation of the hydrogen storage on exothermic reaction of metal hydride LaNi5 alloy container. In addition to accelerating the reaction speed of the internal metal hydride by internal control tube water-cooled mode, analyze via the application of second law of thermodynamics the principle of entropy generation. Use COMSOL Mutilphysics 4.3 a to engage in finite element method value simulation on two-dimensional axisymmetric model. Also on the premise that the internal control tube parameters the radius ri, the flow rate U meet the metal hydride saturation time, observe the reaction process of two parameters on the tank, entropy distribution and the results of the accumulated entropy. And try to find the internal tube parameter values of the minimum entropy, whose purpose is to be able to identify the reaction process and the reaction results of internal tank’s optimum energy conservation.

  16. Equilibrium studies of ternary systems containing some selected transition metal ions, triazoles and aromatic carboxylic acids

    Energy Technology Data Exchange (ETDEWEB)

    Khalil, Mohamed Magdy; Radalla, Abd-Elatty; Qasem, Fatma; Khaled, Rehab [Beni-Suef University, Beni-Suef (Egypt)

    2014-01-15

    Solution equilibria of the binary and ternary complex systems of the divalent transition metal ions Cu{sup 2+}, Ni{sup 2+}, Zn{sup 2+}, and Co{sup 2+} with 1,2,4-triazole (TRZ), 3-mercapto-1,2,4-triazole (TRZSH), and 3-amino-1,2,4-triazole (TRZAM) and aromatic carboxylic acids (phthalic, anthranilic, salicylic, and 5-sulfosalicylic acid) have been studied pH-metrically at (25.0±0.1) .deg. C, and a constant ionic strength I=1x10{sup -1} mol L{sup -1} NaNO{sub 3} in an aqueous medium. The potentiometric titration curves show that binary and ternary complexes of these ligands are formed in solution. The stability constants of the different binary and ternary complexes formed were calculated on the basis of computer analysis of the titration data. The relative stability of the different ternary complex species is expressed in terms of Δ log K values, log X and R. S.% parameters. The effect of temperature of the medium on both the proton-ligand equilibria for TRZAM and phthalic acid and their metal-ligand equilibria with Cu{sup 2+}, Ni{sup 2+}, and Co{sup 2+} has been studied along with the corresponding thermodynamic parameters. The complexation behavior of ternary complexes is ascertained using conductivity measurements. In addition, the formation of ternary complexes in solution has been confirmed by using UV-visible spectrophotometry.

  17. Topotactic Solid-State Metal Hydride Reductions of Sr2MnO4.

    Science.gov (United States)

    Hernden, Bradley C; Lussier, Joey A; Bieringer, Mario

    2015-05-04

    We report novel details regarding the reactivity and mechanism of the solid-state topotactic reduction of Sr2MnO4 using a series of solid-state metal hydrides. Comprehensive details describing the active reducing species are reported and comments on the reductive mechanism are provided, where it is shown that more than one electron is being donated by H(-). Commonly used solid-state hydrides LiH, NaH, and CaH2, were characterized in terms of reducing power. In addition the unexplored solid-state hydrides MgH2, SrH2, and BaH2 are evaluated as potential solid-state reductants and characterized in terms of their reductive reactivities. These 6 group I and II metal hydrides show the following trend in terms of reactivity: MgH2 < SrH2 < LiH ≈ CaH2 ≈ BaH2 < NaH. The order of the reductants are discussed in terms of metal electronegativity and bond strengths. NaH and the novel use of SrH2 allowed for targeted synthesis of reduced Sr2MnO(4-x) (0 ≤ x ≤ 0.37) phases. The enhanced control during synthesis demonstrated by this soft chemistry approach has allowed for a more comprehensive and systematic evaluation of Sr2MnO(4-x) phases than previously reported phases prepared by high temperature methods. Sr2MnO3.63(1) has for the first time been shown to be monoclinic by powder X-ray diffraction and the oxidative monoclinic to tetragonal transition occurs at 450 °C.

  18. A simple urea-based route to ternary metal oxynitride nanoparticles

    International Nuclear Information System (INIS)

    Gomathi, A.; Reshma, S.; Rao, C.N.R.

    2009-01-01

    Ternary metal oxynitrides are generally prepared by heating the corresponding metal oxides with ammonia for long durations at high temperatures. In order to find a simple route that avoids use of gaseous ammonia, we have employed urea as the nitriding agent. In this method, ternary metal oxynitrides are obtained by heating the corresponding metal carbonates and transition metal oxides with excess urea. By this route, ternary metal oxynitrides of the formulae MTaO 2 N (M=Ca, Sr or Ba), MNbO 2 N (M=Sr or Ba), LaTiO 2 N and SrMoO 3-x N x have been prepared successfully. The oxynitrides so obtained were generally in the form of nanoparticles, and were characterized by various physical techniques. - Graphical abstract: Nanoparticles of ternary metal oxynitrides can be synthesized by means of urea route. Given is the TEM image of the nanoparticles of CaTaO 2 N so obtained and the insets show the SAED pattern and HREM image of the nanoparticles

  19. Ternary Amides Containing Transition Metals for Hydrogen Storage: A Case Study with Alkali Metal Amidozincates.

    Science.gov (United States)

    Cao, Hujun; Richter, Theresia M M; Pistidda, Claudio; Chaudhary, Anna-Lisa; Santoru, Antonio; Gizer, Gökhan; Niewa, Rainer; Chen, Ping; Klassen, Thomas; Dornheim, Martin

    2015-11-01

    The alkali metal amidozincates Li4 [Zn(NH2)4](NH2)2 and K2[Zn(NH2)4] were, to the best of our knowledge, studied for the first time as hydrogen storage media. Compared with the LiNH2-2 LiH system, both Li4 [Zn(NH2)4](NH2)2-12 LiH and K2[Zn(NH2)4]-8 LiH systems showed improved rehydrogenation performance, especially K2[Zn(NH2)4]-8 LiH, which can be fully hydrogenated within 30 s at approximately 230 °C. The absorption properties are stable upon cycling. This work shows that ternary amides containing transition metals have great potential as hydrogen storage materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. A new model for predicting thermodynamic properties of ternary metallic solution from binary components

    International Nuclear Information System (INIS)

    Fang Zheng; Zhang Quanru

    2006-01-01

    A model has been derived to predict thermodynamic properties of ternary metallic systems from those of its three binaries. In the model, the excess Gibbs free energies and the interaction parameter ω 123 for three components of a ternary are expressed as a simple sum of those of the three sub-binaries, and the mole fractions of the components of the ternary are identical with the sub-binaries. This model is greatly simplified compared with the current symmetrical and asymmetrical models. It is able to overcome some shortcomings of the current models, such as the arrangement of the components in the Gibbs triangle, the conversion of mole fractions between ternary and corresponding binaries, and some necessary processes for optimizing the various parameters of these models. Two ternary systems, Mg-Cu-Ni and Cd-Bi-Pb are recalculated to demonstrate the validity and precision of the present model. The calculated results on the Mg-Cu-Ni system are better than those in the literature. New parameters in the Margules equations expressing the excess Gibbs free energies of three binary systems of the Cd-Bi-Pb ternary system are also given

  1. New ternary transition metal borides containing uranium and rare earth elements

    International Nuclear Information System (INIS)

    Rogl, P.; Delong, L.

    1983-01-01

    The new ternary actinide metal diborides U 2 MoB 6 , U 2 ReB 6 , U 2 OsB 6 , URuB 4 and UOsB 4 were prepared and found to crystallize with either the Y 2 ReB 6 or the ThMoB 4 type of structure. LuRuB 4 and LuOsB 4 crystallize with the YCrB 4 type of structure. In a ternary series of solid solutions YRh 3 Bsub(1-x) (0 0 C), boron was found to stabilize a Cu 3 Au type of structure. The superconductivity of the new uranium compounds and of a series of ternary transition metal borides was investigated; no superconductivity was observed for temperatures as low at 1.3-1.5 K. The cubic perovskite or filled Cu 3 Au structure is discussed as a type which is very unfavorable for the occurrence of superconductivity. (Auth.)

  2. Performance of a full-scale ITER metal hydride storage bed in comparison with requirements

    International Nuclear Information System (INIS)

    Beloglazov, S.; Glugla, M.; Fanghaenel, E.; Perevezentsev, A.; Wagner, R.

    2008-01-01

    The storage of hydrogen isotopes as metal hydride is the technique chosen for the ITER Tritium Plant Storage and Delivery System (SDS). A prototype storage bed of a full-scale has been designed, manufactured and intensively tested at the Tritium Laboratory, addressing main performance parameters specified for the ITER application. The main requirements for the hydrogen storage bed are a strict physical limitation of the tritium storage capacity (currently 70 g T 2 ), a high supply flow rate of hydrogen isotopes, in-situ calorimetry capabilities with an accuracy of 1 g and a fully tritium compatible design. The pressure composition isotherm of the ZrCo hydrogen system, as a reference material for ITER, is characterised by significant slope. As a result technical implementation of the ZrCo hydride bed in the SDS system requires further considerations. The paper presents the experience from the operation of ZrCo getter bed including loading/de-loading operation, calorimetric loop performance, and active gas cooling of the bed for fast absorption operation. The implications of hydride material characteristics on the SDS system configuration and design are discussed. (authors)

  3. OPTIMIZATION OF INTERNAL HEAT EXCHANGERS FOR HYDROGEN STORAGE TANKS UTILIZING METAL HYDRIDES

    Energy Technology Data Exchange (ETDEWEB)

    Garrison, S.; Tamburello, D.; Hardy, B.; Anton, D.; Gorbounov, M.; Cognale, C.; van Hassel, B.; Mosher, D.

    2011-07-14

    Two detailed, unit-cell models, a transverse fin design and a longitudinal fin design, of a combined hydride bed and heat exchanger are developed in COMSOL{reg_sign} Multiphysics incorporating and accounting for heat transfer and reaction kinetic limitations. MatLab{reg_sign} scripts for autonomous model generation are developed and incorporated into (1) a grid-based and (2) a systematic optimization routine based on the Nelder-Mead downhill simplex method to determine the geometrical parameters that lead to the optimal structure for each fin design that maximizes the hydrogen stored within the hydride. The optimal designs for both the transverse and longitudinal fin designs point toward closely-spaced, small cooling fluid tubes. Under the hydrogen feed conditions studied (50 bar), a 25 times improvement or better in the hydrogen storage kinetics will be required to simultaneously meet the Department of Energy technical targets for gravimetric capacity and fill time. These models and methodology can be rapidly applied to other hydrogen storage materials, such as other metal hydrides or to cryoadsorbents, in future work.

  4. A metallic solution model with adjustable parameter for describing ternary thermodynamic properties from its binary constituents

    International Nuclear Information System (INIS)

    Fang Zheng; Qiu Guanzhou

    2007-01-01

    A metallic solution model with adjustable parameter k has been developed to predict thermodynamic properties of ternary systems from those of its constituent three binaries. In the present model, the excess Gibbs free energy for a ternary mixture is expressed as a weighted probability sum of those of binaries and the k value is determined based on an assumption that the ternary interaction generally strengthens the mixing effects for metallic solutions with weak interaction, making the Gibbs free energy of mixing of the ternary system more negative than that before considering the interaction. This point is never considered in the models currently reported, where the only difference in a geometrical definition of molar values of components is considered that do not involve thermodynamic principles but are completely empirical. The current model describes the results of experiments very well, and by adjusting the k value also agrees with those from models used widely in the literature. Three ternary systems, Mg-Cu-Ni, Zn-In-Cd, and Cd-Bi-Pb are recalculated to demonstrate the method of determining k and the precision of the model. The results of the calculations, especially those in Mg-Cu-Ni system, are better than those predicted by the current models in the literature

  5. Analysis of Pressure Variations in a Low-Pressure Nickel-Hydrogen Battery- Part 2: Cells with Metal Hydride Storage.

    Science.gov (United States)

    Purushothaman, B K; Wainright, J S

    2012-05-15

    A sub-atmospheric pressure nickel hydrogen (Ni-H(2)) battery with metal hydride for hydrogen storage is developed for implantable neuroprosthetic devices. Pressure variations during charge and discharge of the cell are analyzed at different states of charge and are found to follow the desorption curve of the pressure composition isotherm (PCI) of the metal hydride. The measured pressure agreed well with the calculated theoretical pressure based on the PCI and is used to predict the state of charge of the battery. Hydrogen equilibration with the metal hydride during charge/discharge cycling is fast when the pressure is in the range from 8 to 13 psia and slower in the range from 6 to 8 psia. The time constant for the slower hydrogen equilibration, 1.37h, is similar to the time constant for oxygen recombination and therefore pressure changes due to different mechanisms are difficult to estimate. The self-discharge rate of the cell with metal hydride is two times lower in comparison to the cell with gaseous hydrogen storage alone and is a result of the lower pressure in the cell when the metal hydride is used.

  6. Analysis of Pressure Variations in a Low-Pressure Nickel-Hydrogen Battery– Part 2: Cells with Metal Hydride Storage

    Science.gov (United States)

    Purushothaman, B. K.; Wainright, J. S.

    2012-01-01

    A sub-atmospheric pressure nickel hydrogen (Ni-H2) battery with metal hydride for hydrogen storage is developed for implantable neuroprosthetic devices. Pressure variations during charge and discharge of the cell are analyzed at different states of charge and are found to follow the desorption curve of the pressure composition isotherm (PCI) of the metal hydride. The measured pressure agreed well with the calculated theoretical pressure based on the PCI and is used to predict the state of charge of the battery. Hydrogen equilibration with the metal hydride during charge/discharge cycling is fast when the pressure is in the range from 8 to 13 psia and slower in the range from 6 to 8 psia. The time constant for the slower hydrogen equilibration, 1.37h, is similar to the time constant for oxygen recombination and therefore pressure changes due to different mechanisms are difficult to estimate. The self-discharge rate of the cell with metal hydride is two times lower in comparison to the cell with gaseous hydrogen storage alone and is a result of the lower pressure in the cell when the metal hydride is used. PMID:22711974

  7. Studies on metal hydride electrodes containing no binder additives

    Energy Technology Data Exchange (ETDEWEB)

    Rogulski, Z.; Dlubak, J. [Industrial Chemistry Research Institute, Rydygiera 8, 01-793 Warsaw (Poland); Karwowska, M.; Gumkowska, A.; Czerwinski, A. [Department of Chemistry, Warsaw University, Pasteura 1, 02-093 Warsaw (Poland); Krebs, M.; Pytlik, E.; Schmalz, M. [VARTA Microbattery GmbH, Daimlerstrasse 1, 73479 Ellwangen (Germany)

    2010-11-15

    Electrochemical properties of hydrogen storage alloys (AB{sub 5} type: LaMm-Ni{sub 4.1}Al{sub 0.3}Mn{sub 0.4}Co{sub 0.45}) were studied in 6 M KOHaq using Limited Volume Electrode (LVE) method. Working electrodes were prepared by pressing alloy powder (without binding and conducting additives) into a metal net wire serving as a support and as a current collector. Cyclic voltammetry curves reveal well defined hydrogen sorption and desorption peaks which are separated from other faradic processes, such as surface oxidation. Voltammograms of LVE resemble the curves obtained by various authors for single particle metal alloy electrodes. Hydrogen diffusion coefficient calculated at room temperature for LV electrodes and for 100% state of charge reaches a constant value of ca. 3.3 x 10{sup -9} and 2.1 x 10{sup -10} cm{sup 2} s{sup -1}, for chronoamperometric and chronopotentiometric measurements, respectively. A comparison of the electrodes with average alloy particle sizes of ca. 50 and 4 {mu}m allows us to conclude that at room temperature hydrogen storage capability of AB{sub 5} alloy studied is independent on the alloy particle size. On the other hand, reduction of the particle size increases alloy capacity at temperatures below -10 C and reduces time of electrochemical activation of the electrode. (author)

  8. Ternary superconductors

    International Nuclear Information System (INIS)

    Giorgi, A.L.

    1987-01-01

    Ternary superconductors constitute a class of superconducting compounds with exceptional properties such as high transition temperatures (≅ 15.2 K), extremely high critical fields (H c2 >60 Tesla), and the coexistence of superconductivity and long-range magnetic order. This has generated great interest in the scientific community and resulted in a large number of experimental and theoretical investigations in which many new ternary compounds have been discovered. A review of some of the properties of these ternary compounds is presented with particular emphasis on the ternary molybdenum chalcogenides and the ternary rare earth transition metal tetraborides. The effect of partial substitution of a second metal atom to form pseudoternary compounds is examined as well as some of the proposed correlations between the superconducting transition temperature and the structural and electronic properties of the ternary superconductors

  9. High capacity V-based metal hydride electrodes for rechargeable batteries

    OpenAIRE

    Yang, Heng; Weadock, Nicholas J.; Tan, Hongjin; Fultz, Brent

    2017-01-01

    We report the successful development of Ti_(29)V_(62−x)Ni_9Cr_x (x = 0, 6, 12) body centered cubic metal hydride (MH) electrodes by addressing vanadium corrosion and dissolution in KOH solutions. By identifying oxygen as the primary source of corrosion and eliminating oxygen with an Ar-purged cell, the Cr-free Ti_(29)V_(62)Ni_9 alloy electrode achieved a maximum capacity of 594 mAh g^(-1), double the capacity of commercial AB_5 MH electrodes. With coin cells designed to minimize oxygen evolut...

  10. Thermodynamics and statistical mechanics of some hydrides of the lanthanides and actinides

    International Nuclear Information System (INIS)

    Mintz, M.H.

    1976-06-01

    This work deals mainly with the thermodynamic and physical properties of the hydrides of the lanthanides and actinides. In addition, statistical models have been developed and applied to metal-hydrogen systems. A kinetic study of the uranium-hydrogen system was performed. The thermodynamic properties of the hydrides of neptunium, thorium, praseodymium, neodymium, samarium and europium were determined. In addition the samarium-europium-hydrogen ternary system was investigated. Moessbauer effect measurements of cubic neptunium hydrides were interpreted according to a model presented. A comparison. (author)

  11. Mathematical model of a NiOOH/metal hydride cell. Final report, September 15, 1993--November 14, 1996

    Energy Technology Data Exchange (ETDEWEB)

    White, R.E.; Popov, B.N.

    1996-12-31

    One of the objectives of work on the nickel/metal hydride cell has been to develop a mathematical model of the performance of the cell. This is a summary of work to date and is meant to be a Final Report of the BES project. Mathematical model of the nickel/metal hydride cell depends on the kinetics, thermodynamics, and transport properties of the metal hydride electrode. Consequently, investigations were carried out to determine: (1) the exchange current density and the equilibrium potential as a function of hydrogen content in the electrode; (2) the hydrogen diffusion coefficient in the bulk of the alloy; (3) the hydrogen reaction rate order; (4) the symmetry factor for hydrogen evolution reaction and (5) to determine the reaction mechanisms of the hydrogen charge and discharge processes including overcharge and overdischarge mechanism.

  12. Metal hydride/chemical heat-pump development project. Phase I. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Argabright, T.A.

    1982-02-01

    The metal hydride/chemical heat pump (MHHP) is a chemical heat pump containing two hydrides for the storage and/or recovery of thermal energy. It utilizes the heat of reaction of hydrogen with specific metal alloys. The MHHP design can be tailored to provide heating and/or cooling or temperature upgrading over a wide range of input and ambient temperatures. The system can thus be used with a variety of heat sources including waste heat, solar energy or a fossil fuel. The conceptual design of the MHHP was developed. A national market survey including a study of applications and market sectors was conducted. The technical tasks including conceptual development, thermal and mechanical design, laboratory verification of design and material performance, cost analysis and the detailed design of the Engineering Development Test Unit (EDTU) were performed. As a result of the market study, the temperature upgrade cycle of the MHHP was chosen for development. Operating temperature ranges for the upgrader were selected to be from 70 to 110/sup 0/C (160 to 230/sup 0/F) for the source heat and 140 to 190/sup 0/C (280 to 375/sup 0/F) for the product heat. These ranges are applicable to many processes in industries such as food, textile, paper and pulp, and chemical. The hydride pair well suited for these temperatures is LaNi/sub 5//LaNi/sub 4/ /sub 5/Al/sub 0/ /sub 5/. The EDTU was designed for the upgrade cycle. It is a compact finned tube arrangement enclosed in a pressure vessel. This design incorporates high heat transfer and low thermal mass in a system which maximizes the coefficient of performance (COP). It will be constructed in Phase II. Continuation of this effort is recommended.

  13. Predicted energy densitites for nickel-hydrogen and silver-hydrogen cells embodying metallic hydrides for hydrogen storage

    Science.gov (United States)

    Easter, R. W.

    1974-01-01

    Simplified design concepts were used to estimate gravimetric and volumetric energy densities for metal hydrogen battery cells for assessing the characteristics of cells containing metal hydrides as compared to gaseous storage cells, and for comparing nickel cathode and silver cathode systems. The silver cathode was found to yield superior energy densities in all cases considered. The inclusion of hydride forming materials yields cells with very high volumetric energy densities that also retain gravimetric energy densities nearly as high as those of gaseous storage cells.

  14. Metal hydride store for hydrogen supply and cooling of fuel cell vehicles; Metallhydridspeicher zur Wasserstoffversorgung und Kuehlung von Brennstoffzellenfahrzeugen

    Energy Technology Data Exchange (ETDEWEB)

    Wenger, David

    2009-07-01

    In the context of the author's work, a compact, dynamic metal hydride store was developed which in addition to storing hydrogen can also support the thermomanagement of fuel cell vehicles in extreme situations. The requirements were identified using a semiphysical model of a fuel cell vehicle, and a store was dimensioned accordingly. Additionally, a metal hydride store model was developed on the basis of the balance equations. The model was validated by experiments on a specially designed and constructed store. The simulations enable the optimisation of the store geometry and the prediction of its efficiency in a given operating cycle. (orig.)

  15. Metal hydride hydrogen and heat storage systems as enabling technology for spacecraft applications

    Energy Technology Data Exchange (ETDEWEB)

    Reissner, Alexander, E-mail: reissner@fotec.at [FOTEC Forschungs- und Technologietransfer GmbH, Viktor Kaplan Straße 2, 2700 Wiener Neustadt (Austria); University of Applied Sciences Wiener Neustadt, Johannes Gutenberg-Straße 3, 2700 Wiener Neustadt (Austria); Pawelke, Roland H.; Hummel, Stefan; Cabelka, Dusan [FOTEC Forschungs- und Technologietransfer GmbH, Viktor Kaplan Straße 2, 2700 Wiener Neustadt (Austria); Gerger, Joachim [University of Applied Sciences Wiener Neustadt, Johannes Gutenberg-Straße 3, 2700 Wiener Neustadt (Austria); Farnes, Jarle, E-mail: Jarle.farnes@prototech.no [CMR Prototech AS, Fantoftvegen 38, PO Box 6034, 5892 Bergen (Norway); Vik, Arild; Wernhus, Ivar; Svendsen, Tjalve [CMR Prototech AS, Fantoftvegen 38, PO Box 6034, 5892 Bergen (Norway); Schautz, Max, E-mail: max.schautz@esa.int [European Space Agency, ESTEC – Keplerlaan 1, 2201 AZ Noordwijk Zh (Netherlands); Geneste, Xavier, E-mail: xavier.geneste@esa.int [European Space Agency, ESTEC – Keplerlaan 1, 2201 AZ Noordwijk Zh (Netherlands)

    2015-10-05

    Highlights: • A metal hydride tank concept for heat and hydrogen storage is presented. • The tank is part of a closed-loop reversible fuel cell system for space application. • For several engineering issues specific to the spacecraft application, solutions have been developed. • The effect of water contamination has been approximated for Ti-doped NaAlH{sub 4}. • A novel heat exchanger design has been realized by Selective Laser Melting. - Abstract: The next generation of telecommunication satellites will demand a platform payload performance in the range of 30+ kW within the next 10 years. At this high power output, a Regenerative Fuel Cell Systems (RFCS) offers an efficiency advantage in specific energy density over lithium ion batteries. However, a RFCS creates a substantial amount of heat (60–70 kJ per mol H{sub 2}) during fuel cell operation. This requires a thermal hardware that accounts for up to 50% of RFCS mass budget. Thus the initial advantage in specific energy density is reduced. A metal hydride tank for combined storage of heat and hydrogen in a RFCS may overcome this constraint. Being part of a consortium in an ongoing European Space Agency project, FOTEC is building a technology demonstrator for such a combined hydrogen and heat storage system.

  16. Study of hydrogenation for pulverization of rare earth alloys with Nb for metal hydride electrodes

    International Nuclear Information System (INIS)

    Ferreira, Eliner Affonso

    2013-01-01

    In this work were studied La ,7 Mg 0,3 Al 0,3 Mn 0,4 Co (0.5-x) NbxNi 3.8 (x= 0 - 0.5) and La 0,7 Mg 0,3 Al 0,3 Mn 0.4 Nb (05+x) Co 0,5 Ni (3.8-x) . (x=0.3; 0.5;1.3) alloys for negative electrodes of the Nickel-Metal Hydride batteries. The hydrogenation of the alloys was performed varying pressing of H 2 (2 and 9 bar). The discharge capacity of the nickel-metal hydride batteries were analyzed in the Arbin BT-4 electrical test equipment. The as-cast alloys were analyzed by scanning electron microscopy (SEM), energy dispersive spectroscopy (EDX) and X-Ray diffraction. The increasing Niobium addition in the alloys decreased cycle life and the maximum discharge capacity of the batteries. The maximum discharge capacity was obtained with the La .7 Mg 0.3 Al 0.3 Mn 0,4 Co 0.5 Ni 3.8 (45.36 mAh) and the battery which presented the best performance was La .7 Mg 0.3 Al 0.3 Mn 0.4 Co 0.5 Nb 0.1 Ni 3.8 (44.94 mAh). (author)

  17. Determination of phosphorus in metals by neutron activation and chemical separation as hydride

    International Nuclear Information System (INIS)

    Rouchaud, J.C.; Fedoroff, M.

    1993-01-01

    Phosphorous at trace levels alters the properties of metals and alloys. Its determination was investigated by radiochemical neutron activation analysis. Separation by solvent extraction or by evolution as P 0 showed to be neither selective nor quantitative in presence of a metallic matrix. Therefore, a new method of separation by reduction to phosphorous hydride followed by liquid scintillation counting was investigated. This method is quantitative in the case of non-radioactive iron doped with radioactive phosphorus. At present, the separation is not quantitative for irradiation iron samples, owing probably to hot atom or radiation effects. A detection limit of 0.002 μg is expected. (author) 10 refs.; 1 fig.; 3 tabs

  18. 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)

  19. Reviews on the Japanese Patent Applications Regarding Nickel/Metal Hydride Batteries

    Directory of Open Access Journals (Sweden)

    Taihei Ouchi

    2016-06-01

    Full Text Available The Japanese Patent Applications filed on the topic of nickel/metal hydride (Ni/MH batteries have been reviewed. Patent applications filed by the top nine battery manufacturers (Matsushita, Sanyo, Hitachi Maxell, Yuasa, Toshiba, FDK, Furukawa, Japan Storage, and Shin-kobe, five component suppliers (Tanaka, Mitsui, Santoku, Japan Metals & Chemicals Co. (JMC, and Shin-Etsu, and three research institutes (Industrial Research Institute (ISI, Agency of Industrial Science and Technology (AIST, and Toyota R & D were chosen as the main subjects for this review, based on their production volume and contribution to the field. By reviewing these patent applications, we can have a clear picture of the technology development in the Japanese battery industry. These patent applications also provide insights, know-how, and future directions for engineers and scientists working in the rechargeable battery field.

  20. Synthesis and characterization of some reduced ternary and quaternary molybdenum oxide phases with strong metal-metal bonds

    International Nuclear Information System (INIS)

    Lii, K.H.

    1985-10-01

    In the course of our research on reduced ternary and quaternary molybdenum oxides, very interesting compounds with strong metal-metal bonds were discovered. Among these solid-state materials are found discrete cluster arrays and structures with extended metal-metal bonding. Further study in this system has revealed that many new structures exist in this new realm. The synthesis, structures, bonding, and properties of these new oxides, which are briefly summarized in tabular form, are presented in this thesis. 144 refs., 63 figs., 79 tabs

  1. Ternary alkali-metal and transition metal or metalloid acetylides as alkali-metal intercalation electrodes for batteries

    Science.gov (United States)

    Nemeth, Karoly; Srajer, George; Harkay, Katherine C; Terdik, Joseph Z

    2015-02-10

    Novel intercalation electrode materials including ternary acetylides of chemical formula: A.sub.nMC.sub.2 where A is alkali or alkaline-earth element; M is transition metal or metalloid element; C.sub.2 is reference to the acetylide ion; n is an integer that is 0, 1, 2, 3 or 4 when A is alkali element and 0, 1, or 2 when A is alkaline-earth element. The alkali elements are Lithium (Li), Sodium (Na), Potassium (K), Rubidium (Rb), Cesium (Cs) and Francium (Fr). The alkaline-earth elements are Berilium (Be), Magnesium (Mg), Calcium (Ca), Strontium (Sr), Barium (Ba), and Radium (Ra). M is a transition metal that is any element in groups 3 through 12 inclusive on the Periodic Table of Elements (elements 21 (Sc) to element 30 (Zn)). In another exemplary embodiment, M is a metalloid element.

  2. Technical and economic evaluation of hydrogen storage systems based on light metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Jepsen, Julian

    2014-07-01

    -up storage systems are designed, tested and described numerically by finite elements simulation. The influence of the tank diameter on sorption rates, hydrogen capacities and temperature profiles inside the material beds is demonstrated. Key aspects for the design of future light metal hydride storage tank systems were derived from the experimental obtained results and the theoretical simulation of Li-RHC as a representative model system for RHCs.

  3. Impacts of external convection on release rates in metal hydride storage tanks. Paper no. IGEC-1-080

    International Nuclear Information System (INIS)

    MacDonald, B.; Rowe, A.; Tomlinson, J.; Ho, J.

    2005-01-01

    Reversible metal hydrides can be used to store hydrogen at relatively low pressures, with very high volumetric density. The rate hydrogen can be drawn from a given tank is strongly influenced by the rate heat can be transferred to the reaction zone. Because of this, enhancing and controlling heat transfer is a key area of research in the development of metal hydride storage tanks. In this work, the impacts of external convection resistance on hydrogen release rates are examined. A one-dimensional resistive analysis determines the thermal resistances in the system based on one case where no external heat transfer enhancements are used, and a second case where external fins are used. A two-dimensional, transient model, developed in FEMLAB, is used to determine the impact of the external fins on the mass flow rate of hydrogen in more detail. For the particular metal hydride alloy (LaNi 4.8 Sn 0.2 ) and tank geometry studied, it was found that the fins have a large impact on the hydrogen flow rate during the initial stages of desorption. The flow rate with no fins is only 20% of the flow rate with fins for a full tank, 57% when the tank is 33% full, and 74% when the tank is 5% full. As the reaction proceeds, the resistance of the metal hydride alloy within the tank increases and becomes dominant. Therefore, the impact of the fins becomes less significant as the tank empties. (author)

  4. Bond Formation in Diatomic Transition Metal Hydrides: Insights from the Analysis of Domain-Averaged Fermi Holes

    Czech Academy of Sciences Publication Activity Database

    Cooper, D.L.; Ponec, Robert

    2013-01-01

    Roč. 113, č. 2 (2013), s. 102-111 ISSN 0020-7608 R&D Projects: GA ČR GA203/09/0118 Institutional support: RVO:67985858 Keywords : transition metal hydrides * bond formation * analysis of domain averaged Fermi holes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.166, year: 2013

  5. Synthesis and Characterization of Novel Ternary and Quaternary Alkali Metal Thiophosphates

    KAUST Repository

    Alahmary, Fatimah S.

    2014-05-01

    The ongoing development of nonlinear optical (NLO) crystals such as coherent mid-IR sources focuses on various classes of materials such as ternary and quaternary metal chalcophosphates. In case of thiophosphates, the connection between PS4-tetrahedral building blocks and metals gives rise to a broad structural variety where approximately one third of all known ternary (A/P/S) and quaternary (A/M/P/S) (A = alkali metal, M = metal) structures are acentric and potential nonlinear optical materials. The molten alkali metal polychalcophosphate fluxes are a well-established method for the synthesis of new ternary and quaternary thiophosphate and selenophosphate compounds. It has been a wide field of study and investigation through the last two decades. Here, the flux method is used for the synthesis of new quaternary phases containing Rb, Ag, P and S. Four new alkali metal thiophosphates, Rb4P2S10, RbAg5(PS4), Rb2AgPS4 and Rb3Ag9(PS4)4, have been synthesized successfully from high purity elements and binary starting materials. The new compounds were characterized by single crystal and powder X-ray diffraction, scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), ultraviolet-visible (UV-VIS), Raman spectroscopy, thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). These compounds show interesting structural variety and physical properties. The crystal structures feature 3D anionic framework built up of PS4 tetrahedral units and charge balanced by Ag and alkali metal cations. All prepared compounds are semiconductors with band gap between 2.3 eV to 2.6 eV and most of them are thermally stable up to 600ºC.

  6. Heat exchanger selection and design analyses for metal hydride heat pump systems

    DEFF Research Database (Denmark)

    Mazzucco, Andrea; Voskuilen, Tyler G.; Waters, Essene L.

    2016-01-01

    This study presents a design analysis for the development of highly efficient heat exchangers within stationary metal hydride heat pumps. The design constraints and selected performance criteria are applied to three representative heat exchangers. The proposed thermal model can be applied to select...... the most efficient heat exchanger design and provides outcomes generally valid in a pre-design stage. Heat transfer effectiveness is the principal performance parameter guiding the selection analysis, the results of which appear to be mildly (up to 13%) affected by the specific Nusselt correlation used....... The thermo-physical properties of the heat transfer medium and geometrical parameters are varied in the sensitivity analysis, suggesting that the length of independent tubes is the physical parameter that influences the performance of the heat exchangers the most. The practical operative regions for each...

  7. Development of high-capacity nickel-metal hydride batteries using superlattice hydrogen-absorbing alloys

    Science.gov (United States)

    Yasuoka, Shigekazu; Magari, Yoshifumi; Murata, Tetsuyuki; Tanaka, Tadayoshi; Ishida, Jun; Nakamura, Hiroshi; Nohma, Toshiyuki; Kihara, Masaru; Baba, Yoshitaka; Teraoka, Hirohito

    New R-Mg-Ni (R: rare earths) superlattice alloys with higher-capacity and higher-durability than the conventional Mm-Ni alloys with CaCu 5 structure have been developed. The oxidation resistibility of the superlattice alloys has been improved by optimizing the alloy composition by such as substituting aluminum for nickel and optimizing the magnesium content in order to prolong the battery life. High-capacity nickel-metal hydride batteries for the retail market, the Ni-MH2500/900 series (AA size type 2500 mAh, AAA size type 900 mAh), have been developed and commercialized by using an improved superlattice alloy for negative electrode material.

  8. Development of high-capacity nickel-metal hydride batteries using superlattice hydrogen-absorbing alloys

    International Nuclear Information System (INIS)

    Yasuoka, Shigekazu; Magari, Yoshifumi; Murata, Tetsuyuki; Tanaka, Tadayoshi; Ishida, Jun; Nakamura, Hiroshi; Nohma, Toshiyuki; Kihara, Masaru; Baba, Yoshitaka; Teraoka, Hirohito

    2006-01-01

    New R-Mg-Ni (R: rare earths) superlattice alloys with higher-capacity and higher-durability than the conventional Mm-Ni alloys with CaCu 5 structure have been developed. The oxidation resistibility of the superlattice alloys has been improved by optimizing the alloy composition by such as substituting aluminum for nickel and optimizing the magnesium content in order to prolong the battery life. High-capacity nickel-metal hydride batteries for the retail market, the Ni-MH2500/900 series (AA size type 2500mAh, AAA size type 900mAh), have been developed and commercialized by using an improved superlattice alloy for negative electrode material. alized by using an improved superlattice alloy for negative electrode material. (author)

  9. Screening of metal hydride pairs for closed thermal energy storage systems

    International Nuclear Information System (INIS)

    Aswin, N.; Dutta, Pradip; Murthy, S. Srinivasa

    2016-01-01

    Thermal energy storage systems based on metal/hydrides usually are closed systems composed of two beds of metal/alloy – one meant for energy storage and the other for hydrogen storage. It can be shown that a feasible operating cycle for such a system using a pair of metals/alloys operating between specified temperature values can be ensured if the equilibrium hydrogen intake characteristics satisfy certain criteria. In addition, application of first law of thermodynamics to an idealized operating cycle can provide the upper bounds of selected performance indices, namely volumetric energy storage density, energy storage efficiency and peak discharge temperature. This is demonstrated for a representative system composed of LaNi 4.7 Al 0.3 –LaNi 5 operating between 353 K and 303 K which gave values of about 56 kW h m −3 for volumetric storage density, about 85% for energy storage efficiency and 343 K for peak discharge temperature. A system level heat and mass transfer study considering the reaction kinetics, hydrogen flow between the beds and heat exchanger models is presented which gave second level estimates of about 40 kW h m −3 for volumetric energy storage density, 73% for energy storage efficiency and 334 K for peak temperature for the representative system. The results from such studies lead to identifying metal/alloy pairs which can be shortlisted for detailed studies.

  10. Hydrogenation of the rare earth alloys for production negative electrodes of nickel-metal hydride batteries

    International Nuclear Information System (INIS)

    Casini, Julio Cesar Serafim

    2011-01-01

    In this work were studied of La 0.7-x Mg x Pr 0.3 Al 0.3 Mn 0.4 Co 0.5 Ni 3.8 (X = 0 and 0.7) alloys for negative electrodes of the nickel-metal hydride batteries. The hydrogenation of the alloys was performed varying pressing of H 2 (2 and 10 bar) and temperature (room and 500 ℃). The discharge capacity of the nic kel-metal hydride batteries were analyzed in ARBIN BT- 4 electrical test equipment. The as-cast alloys were analyzed by scanning electron microscopy (SEM), energy disperse spectroscopy (EDX) and X-Ray diffraction. The increasing Mg addition in the alloy increases maximum discharge capacity but decrease cycle life of the batteries. The maximum discharge capacity was obtained with the Mg 0.7 Pr 0.3 Al 0.3 Mn 0.4 Co 0.5 Ni 3.8 alloy (60 mAh) and the battery which presented the best performance was La 0.4 Mg 0.3 Pr 0.3 Al 0.3 Mn 0.4 Co 0.5 Ni 3.8 alloy (53 mAh and 150 cycles). The H 2 capability of absorption was diminished for increased Mg addition and no such effect occurs for Mg 0.7 Pr 0.3 Al 0.3 Mn 0.4 Co 0.5 Ni 3.8 alloy. (author)

  11. The analysis of fuel constituent redistribution for ternary metallic fuel slug

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Byoung Oon; Lee, Dong Uk; Kim, Young Kyun; Chang, Jin Wook; Lee, Ki Bok; Kim, Young Il

    2004-02-01

    U-TRU-Zr metallic alloy is being considered as the fuel slug for the proliferation resistance core of KALIMER. The radial fuel constituent migration is a general phenomenon in the metallic alloys. This phenomenon may affect the in-reactor performance of metallic fuel rods, influencing such factors as melting temperature, thermal conductivity, power generation rate, phase boundaries and eutectic melting of the fuel slug. Thus, constituent redistribution modeling is essential when developing a metallic fuel performance code. The constituent migration model adopted in this report was based on the Ishida's model and Hofman's theory. A subroutine program has been made and installed into the MACSIS code to simulate constituent redistribution. The radial profile of Zr redistribution was calculated for the ternary metallic fuel, and compared with the measured data.

  12. Ternary toxicological interactions of insecticides, herbicides, and a heavy metal on the earthworm Eisenia fetida

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yanhua [State Key Laboratory Breeding Base for Zhejiang Sustainable Pest and Disease Control/Key Laboratory for Pesticide Residue Detection of Ministry of Agriculture, Institute of Quality and Standard for Agro-products, Zhejiang Academy of Agricultural Sciences, Hangzhou 310021 (China); Chen, Chen [Key Laboratory of Agro-Product Quality and Safety of Ministry of Agriculture, Institute of Quality Standards and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences, Beijing 100081 (China); Qian, Yongzhong, E-mail: qyzcaas@aliyun.com [Key Laboratory of Agro-Product Quality and Safety of Ministry of Agriculture, Institute of Quality Standards and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences, Beijing 100081 (China); Zhao, Xueping [State Key Laboratory Breeding Base for Zhejiang Sustainable Pest and Disease Control/Key Laboratory for Pesticide Residue Detection of Ministry of Agriculture, Institute of Quality and Standard for Agro-products, Zhejiang Academy of Agricultural Sciences, Hangzhou 310021 (China); Wang, Qiang, E-mail: qiangwang2003@vip.sina.com [State Key Laboratory Breeding Base for Zhejiang Sustainable Pest and Disease Control/Key Laboratory for Pesticide Residue Detection of Ministry of Agriculture, Institute of Quality and Standard for Agro-products, Zhejiang Academy of Agricultural Sciences, Hangzhou 310021 (China)

    2015-03-02

    Highlights: • The combined toxicity of insecticides, herbicides, and a heavy metal was examined. • Acute earthworm toxicity assays were conducted in twenty-one ternary mixtures. • Synergism predominated in the majority of the mixtures at low effect levels. • Combination index method could more accurately predict the combined toxicity. - Abstract: The combined toxicities of five insecticides (chlorpyrifos, avermectin, imidacloprid, λ-cyhalothrin, and phoxim), two herbicides (atrazine and butachlor), and a heavy metal (cadmium) have been examined using the acute toxicity test on the earthworm. With a concentration of 2.75 mg/kg being lethal for 50% of the organisms, imidacloprid exhibited the highest acute toxicity toward the earthworm Eisenia fetida. Toxicological interactions of these chemicals in ternary mixtures were studied using the combination-index (CI) equation method. Twenty-one ternary mixtures exhibited various interactive effects, in which 11 combinations showed synergistic effects, four led to dual synergistic/additive behaviors, one exhibited an additive effect, and five showed increasing antagonism within the entire range of effects. The CI method was compared with the classical models of concentration addition and independent action, and it was found that the CI method could accurately predict combined toxicity of the chemicals studied. The predicted synergism in the majority of the mixtures, especially at low-effect levels, might have implications in the real terrestrial environment.

  13. Ternary toxicological interactions of insecticides, herbicides, and a heavy metal on the earthworm Eisenia fetida

    International Nuclear Information System (INIS)

    Wang, Yanhua; Chen, Chen; Qian, Yongzhong; Zhao, Xueping; Wang, Qiang

    2015-01-01

    Highlights: • The combined toxicity of insecticides, herbicides, and a heavy metal was examined. • Acute earthworm toxicity assays were conducted in twenty-one ternary mixtures. • Synergism predominated in the majority of the mixtures at low effect levels. • Combination index method could more accurately predict the combined toxicity. - Abstract: The combined toxicities of five insecticides (chlorpyrifos, avermectin, imidacloprid, λ-cyhalothrin, and phoxim), two herbicides (atrazine and butachlor), and a heavy metal (cadmium) have been examined using the acute toxicity test on the earthworm. With a concentration of 2.75 mg/kg being lethal for 50% of the organisms, imidacloprid exhibited the highest acute toxicity toward the earthworm Eisenia fetida. Toxicological interactions of these chemicals in ternary mixtures were studied using the combination-index (CI) equation method. Twenty-one ternary mixtures exhibited various interactive effects, in which 11 combinations showed synergistic effects, four led to dual synergistic/additive behaviors, one exhibited an additive effect, and five showed increasing antagonism within the entire range of effects. The CI method was compared with the classical models of concentration addition and independent action, and it was found that the CI method could accurately predict combined toxicity of the chemicals studied. The predicted synergism in the majority of the mixtures, especially at low-effect levels, might have implications in the real terrestrial environment

  14. Process optimization and kinetics for leaching of rare earth metals from the spent Ni-metal hydride batteries.

    Science.gov (United States)

    Meshram, Pratima; Pandey, B D; Mankhand, T R

    2016-05-01

    Nickel-metal hydride batteries (Ni-MH) contain not only the base metals, but valuable rare earth metals (REMs) viz. La, Sm, Nd, Pr and Ce as well. In view of the importance of resource recycling and assured supply of the contained metals in such wastes, the present study has focussed on the leaching of the rare earth metals from the spent Ni-MH batteries. The conditions for the leaching of REMs from the spent batteries were optimized as: 2M H2SO4, 348K temperature and 120min of time at a pulp density (PD) of 100g/L. Under this condition, the leaching of 98.1% Nd, 98.4% Sm, 95.5% Pr and 89.4% Ce was achieved. Besides the rare earth metals, more than 90% of base metals (Ni, Co, Mn and Zn) were also leached out in this condition. Kinetic data for the dissolution of all the rare earth metals showed the best fit to the chemical control shrinking core model. The leaching of metals followed the mechanism involving the chemical reaction proceeding on the surface of particles by the lixiviant, which was corroborated by the XRD phase analysis and SEM-EDS studies. The activation energy of 7.6, 6.3, 11.3 and 13.5kJ/mol was acquired for the leaching of neodymium, samarium, praseodymium and cerium, respectively in the temperature range 305-348K. From the leach liquor, the mixed rare earth metals were precipitated at pH∼1.8 and the precipitated REMs was analyzed by XRD and SEM studies to determine the phases and the morphological features. Copyright © 2015. Published by Elsevier Ltd.

  15. Structural and thermal characterization of ternary complexes of piroxicam and alanine with transition metals: Uranyl binary and ternary complexes of piroxicam. Spectroscopic characterization and properties of metal complexes

    Science.gov (United States)

    Mohamed, Gehad G.

    2005-12-01

    Ternary Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and UO 2(II) complexes with piroxicam (Pir) drug (H 2L 1) and dl-alanine (Ala) (HL 2) and also the binary UO 2(II) complex with Pir were studied. The structures of the complexes were elucidated using elemental, IR, molar conductance, magnetic moment, diffused reflectance and thermal analyses. The UO 2(II) binary complex was isolated in 1:2 ratio with the formula [UO 2(H 2L) 2](NO 3) 2. The ternary complexes were isolated in 1:1:1 (M:H 2L 1:L 2) ratios. The solid complexes were isolated in the general formulae [M(H 2L)(L 2)(Cl) n(H 2O) m]· yH 2O (M = Fe(III) ( n = 2, m = 0, y = 1), Co(II) ( n = 1, m = 1, y = 2) and Ni(II) ( n = 1, m = 1, y = 0)); [M(H 2L)(L 2)](X) z· yH 2O (M = Cu(II) (X = AcO, z = 1, y = 0), Zn(II) (X = AcO, z = 1, y = 3) and UO 2(II) (X = NO 3, z = 1, y = 2)). Pir behaves as a neutral bidentate ligand coordinated to the metal ions via the pyridine-N and carbonyl-O groups, while Ala behaves as a uninegatively bidentate ligand coordinated to the metal ions via the deprotonated carboxylate-O and amino-N. The magnetic and reflectance spectral data show that the complexes have octahedral geometry except Cu(II) and Zn(II) complexes have tetrahedral structures. The thermal decomposition of the complexes was discussed in relation to structure, and the thermodynamic parameters of the decomposition stages were evaluated.

  16. Some new techniques in tritium gas handling as applied to metal hydride synthesis

    International Nuclear Information System (INIS)

    Nasise, J.E.

    1988-01-01

    A state-of-the-art tritium Hydriding Synthesis System (HSS) was designed and built to replace the existing system within the Tritium Salt Facility (TSF) at the Los Alamos National Laboratory. This new hydriding system utilizes unique fast-cycling 7.9 mole uranium beds (47.5g of T at 100% loading) and novel gas circulating hydriding furnaces. Tritium system components discussed include fast-cycling uranium beds, circulating gas hydriding furnaces, valves, storage volumes, manifolds, gas transfer pumps, and graphic display and control consoles. Many of the tritium handling and processing techniques incorporated into this system are directly applicable to today's fusion fuel loops. 12 refs., 7 figs

  17. First-principles interatomic potentials for transition-metal aluminides. III. Extension to ternary phase diagrams

    International Nuclear Information System (INIS)

    Widom, Mike; Al-Lehyani, Ibrahim; Moriarty, John A.

    2000-01-01

    Modeling structural and mechanical properties of intermetallic compounds and alloys requires detailed knowledge of their interatomic interactions. The first two papers of this series [Phys. Rev. B 56, 7905 (1997); 58, 8967 (1998)] derived first-principles interatomic potentials for transition-metal (TM) aluminides using generalized pseudopotential theory (GPT). Those papers focused on binary alloys of aluminum with first-row transition metals and assessed the ability of GPT potentials to reproduce and elucidate the alloy phase diagrams of Al-Co and Al-Ni. This paper addresses the phase diagrams of the binary alloy Al-Cu and the ternary systems Al-Co-Cu and Al-Co-Ni, using GPT pair potentials calculated in the limit of vanishing transition-metal concentration. Despite this highly simplifying approximation, we find rough agreement with the known low-temperature phase diagrams, up to 50% total TM concentration provided the Co fraction is below 25%. Full composition-dependent potentials and many-body interactions would be required to correct deficiencies at higher Co concentration. Outside this troublesome region, the experimentally determined stable and metastable phases all lie on or near the convex hull of a scatter plot of energy versus composition. We verify, qualitatively, reported solubility ranges extending binary alloys into the ternary diagram in both Al-Co-Cu and Al-Co-Ni. Finally, we reproduce previously conjectured transition-metal positions in the decagonal quasicrystal phase. (c) 2000 The American Physical Society

  18. First-principles interatomic potentials for transition-metal aluminides. III. Extension to ternary phase diagrams

    Science.gov (United States)

    Widom, Mike; Al-Lehyani, Ibrahim; Moriarty, John A.

    2000-08-01

    Modeling structural and mechanical properties of intermetallic compounds and alloys requires detailed knowledge of their interatomic interactions. The first two papers of this series [Phys. Rev. B 56, 7905 (1997); 58, 8967 (1998)] derived first-principles interatomic potentials for transition-metal (TM) aluminides using generalized pseudopotential theory (GPT). Those papers focused on binary alloys of aluminum with first-row transition metals and assessed the ability of GPT potentials to reproduce and elucidate the alloy phase diagrams of Al-Co and Al-Ni. This paper addresses the phase diagrams of the binary alloy Al-Cu and the ternary systems Al-Co-Cu and Al-Co-Ni, using GPT pair potentials calculated in the limit of vanishing transition-metal concentration. Despite this highly simplifying approximation, we find rough agreement with the known low-temperature phase diagrams, up to 50% total TM concentration provided the Co fraction is below 25%. Full composition-dependent potentials and many-body interactions would be required to correct deficiencies at higher Co concentration. Outside this troublesome region, the experimentally determined stable and metastable phases all lie on or near the convex hull of a scatter plot of energy versus composition. We verify, qualitatively, reported solubility ranges extending binary alloys into the ternary diagram in both Al-Co-Cu and Al-Co-Ni. Finally, we reproduce previously conjectured transition-metal positions in the decagonal quasicrystal phase.

  19. Development of metallic fuel fabrication - A study on the interdiffusion behavior between ternary metallic fuel and cladding materials

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Byung Soo; Seol, Kyung Won; Shon, In Jin [Chonbuk National University, Chonju (Korea)

    1999-04-01

    To study a new ternary metallic fuel for liquid metal reactor, various U-Zr-X alloys have been made by induction melting. The specimens were prepared for thermal stability tests at 630 deg. C upto 5000 hours in order to estimate the decomposition of the lamellar structure. Interdiffusion studies were carried out at 700 deg. C for 200 hours for the diffusion couples assembled with U-Zr-X ternary fuel versus austenitic stainless steel D9 and martensitic stainless steel HT9, respectively, to investigate the fuel-cladding compatibility. The ternary alloy, especially U-Zr-Mo and U-Zr-Nb alloys showed relatively good thermal stability as long as 5000hrs at 630 deg. C. From the composition profiles of the interdiffusion study, Fe penetrated deeper to the fuel side than other cladding elements such as Ni and Cr, whereas U did to the cladding side of fuel elements in the fuel/D9 couples. On the contrary, the reaction layers of Fuel/HT9 couple were thinner than that of Fuel/D9 couples and were less affected by cladding element, which was believed to be due to Zr rich layer between the fuel-cladding interface. HT9 is considered to be superior to D9 and a favorable choice as a cladding material in terms of fuel-cladding compatibility. 21 refs., 24 figs., 7 tabs. (Author)

  20. Mechanochemical synthesis of nanostructured chemical hydrides in hydrogen alloying mills

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  1. Synthesis and application of a ternary composite of clay, saw-dust and peanut husks in heavy metal adsorption.

    Science.gov (United States)

    Mungondori, Henry H; Mtetwa, Sandile; Tichagwa, Lilian; Katwire, David M; Nyamukamba, Pardon

    2017-05-01

    The adsorption of a multi-component system of ferrous, chromium, copper, nickel and lead on single, binary and ternary composites was studied. The aim of the study was to investigate whether a ternary composite of clay, peanut husks (PH) and saw-dust (SD) exhibited a higher adsorption capacity than that of a binary system of clay and SD as well as a single component adsorbent of PH alone. The materials were used in their raw state without any chemical modifications. This was done to retain the cost effective aspect of the naturally occurring adsorbents. The adsorption capacities of the ternary composite for the heavy metals Fe 2+ , Cr 3+ , Cu 2+ , Ni 2+ and Pb 2+ were 41.7 mg/g, 40.0 mg/g, 25.5 mg/g, 41.5 mg/g and 39.0 mg/g, respectively. It was found that the ternary composite exhibited excellent and enhanced adsorption capacity compared with both a binary and single adsorbent for the heavy metals Fe 2+ , Ni 2+ and Cr 3+ . Characterization of the ternary composites was done using Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and thermogravimetric analysis (TGA). Kinetic models and adsorption isotherms were also studied. The pseudo second order kinetic model and the Langmuir adsorption isotherm best described the adsorption mechanisms for the ternary composite towards each of the heavy metal ions.

  2. Asymmetric supercapacitors with metal-like ternary selenides and porous graphene electrodes

    KAUST Repository

    Xia, Chuan

    2016-04-14

    Asymmetric supercapacitors provide a promising approach to fabricate capacitive energy storage devices with high energy and power densities. In this work, asymmetric supercapacitors with excellent performance have been fabricated using ternary (Ni, Co)0.85Se on carbon fabric as bind-free positive electrode and porous free-standing graphene films as negative electrode. Owing to their metal-like conductivity (~1.67×106 S m−1), significant electrochemical activity, and superhydrophilic nature, our nanostructured ternary nickel cobalt selenides result in a much higher areal capacitance (2.33 F cm−2 at 4 mA cm−2), better rate performance and cycling stability than their binary selenide equivalents, and other ternary oxides and chalcogenides. Those hybrid supercapacitors can afford impressive areal capacitance and stack capacitance of 529.3 mF cm−2 and 6330 mF cm−3 at 1 mA cm−2, respectively. More impressively, our optimized asymmetric device operating at 1.8 V delivers a very high stack energy density of 2.85 mWh cm−3 at a stack power density of 10.76 mW cm−3, as well as 85% capacitance retention after 10,000 continuous charge-discharge cycles. Even at a high stack power density of 1173 mW cm−3, this device still deliveries a stack energy density of 1.19 mWh cm−3, superior to most of the reported supercapacitors.

  3. The Importance of Rare-Earth Additions in Zr-Based AB2 Metal Hydride Alloys

    Directory of Open Access Journals (Sweden)

    Kwo-Hsiung Young

    2016-07-01

    Full Text Available Effects of substitutions of rare earth (RE elements (Y, La, Ce, and Nd to the Zr-based AB2 multi-phase metal hydride (MH alloys on the structure, gaseous phase hydrogen storage (H-storage, and electrochemical properties were studied and compared. Solubilities of the RE atoms in the main Laves phases (C14 and C15 are very low, and therefore the main contributions of the RE additives are through the formation of the RENi phase and change in TiNi phase abundance. Both the RENi and TiNi phases are found to facilitate the bulk diffusion of hydrogen but impede the surface reaction. The former is very effective in improving the activation behaviors. −40 °C performances of the Ce-doped alloys are slightly better than the Nd-doped alloys but not as good as those of the La-doped alloys, which gained the improvement through a different mechanism. While the improvement in ultra-low-temperature performance of the Ce-containing alloys can be associated with a larger amount of metallic Ni-clusters embedded in the surface oxide, the improvement in the La-containing alloys originates from the clean alloy/oxide interface as shown in an earlier transmission electron microscopy study. Overall, the substitution of 1 at% Ce to partially replace Zr gives the best electrochemical performances (capacity, rate, and activation and is recommended for all the AB2 MH alloys for electrochemical applications.

  4. Rare earth metals, rare earth hydrides, and rare earth oxides as thin films

    International Nuclear Information System (INIS)

    Gasgnier, M.

    1980-01-01

    The review deals with pure rare earth materials such as rare earth metals, rare earth hydrides, and rare earth oxides as thin films. Several preparation techniques, control methods, and nature of possible contaminations of thin films are described. These films can now be produced in an extremely well-known state concerning chemical composition, structure and texture. Structural, electric, magnetic, and optical properties of thin films are studied and discussed in comparison with the bulk state. The greatest contamination of metallic rare earth thin films is caused by reaction with hydrogen or with water vapour. The compound with an f.c.c. structure is the dihydride LnH 2 (Ln = lanthanides). The oxygen contamination takes place after annealing at higher temperatures. Then there appears a compound with a b.c.c. structure which is the C-type sesquioxide C-Ln 2 O 3 . At room atmosphere dihydride light rare earth thin films are converted to hydroxide Ln(OH) 3 . For heavy rare earth thin films the oxinitride LnNsub(x)Osub(y) is observed. The LnO-type compound was never seen. The present review tries to set the stage anew for the investigations to be undertaken in the future especially through the new generations of electron microscopes

  5. Metal-doped sodium aluminium hydrides as potential new hydrogen storage materials

    Energy Technology Data Exchange (ETDEWEB)

    Bogdanovic, B. [Max-Planck-Institut fuer Kohlenforschung, Muelheim an der Ruhr (Germany); Brand, R.A. [Department of Physics, Gerhard-Mercator-Universitaet GH Duisburg, D-47048, Duisburg (Germany); Marjanovic, A.; Schwickardi, M.; Toelle, J. [Max-Planck-Institut fuer Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470, Muelheim an der Ruhr (Germany)

    2000-04-28

    Thermodynamics and kinetics of the reversible dissociation of metal-doped NaAlH{sub 4} as a hydrogen (or heat) storage system have been investigated in some detail. The experimentally determined enthalpies for the first (3.7 wt% of H) and the second dissociation step of Ti-doped NaAlH{sub 4} (3.0 wt% H) of 37 and 47 kJ/mol are in accordance with low and medium temperature reversible metal hydride systems, respectively. Through variation of NaAlH{sub 4} particle sizes, catalysts (dopants) and doping procedures, kinetics as well as the cyclization stability within cycle tests have been substantially improved with respect to the previous status [B. Bogdanovic, M. Schwickardi (1997)]. In particular, using combinations of Ti and Fe compounds as dopants, a cooperative (synergistic) catalytic effect of the metals Ti and Fe in enhancing rates of both de- and rehydrogenation of Ti/Fe-doped NaAlH{sub 4} within cycle tests, reaching a constant storage capacity of {proportional_to}4 wt% H{sub 2}, has been demonstrated. By means of {sup 57}Fe Moessbauer spectroscopy of the Ti/Fe-doped NaAlH{sub 4} before and throughout a cycle test, it has been ascertained that (1) during the doping procedure, nanosize metallic Fe particles are formed from the doping agent Fe(OEt){sub 2} and (2) already after the first dehydrogenation, the nanosize Fe particles with NaAlH{sub 4} present are probably transformed into an Fe-Al-alloy which throughout the cycle test remains practically unchanged. (orig.)

  6. Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

    DEFF Research Database (Denmark)

    Hummelshøj, Jens Strabo; Landis, David; Voss, Johannes

    2009-01-01

    We present a computational screening study of ternary metal borohydrides for reversible hydrogen storage based on density functional theory. We investigate the stability and decomposition of alloys containing 1 alkali metal atom, Li, Na, or K (M1); and 1 alkali, alkaline earth or 3d/4d transition...

  7. Scattering influences in quantitative fission neutron radiography for the in situ analysis of hydrogen distribution in metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Börries, S., E-mail: stefan.boerries@hzg.de [Helmholtz-Zentrum Geesthacht, Centre for Materials and Coastal Research, Max-Planck-Strasse 1, D-21502 Geesthacht (Germany); Metz, O.; Pranzas, P.K. [Helmholtz-Zentrum Geesthacht, Centre for Materials and Coastal Research, Max-Planck-Strasse 1, D-21502 Geesthacht (Germany); Bücherl, T. [ZTWB Radiochemie München (RCM), Technische Universität München (TUM), Walther-Meissner-Str. 3, D-85748 Garching (Germany); Söllradl, S. [Forschungs-Neutronenquelle Heinz Maier-Leibnitz (FRMII), Technische Universität München (TUM), Lichtenbergstr. 1, D-85748 Garching (Germany); Dornheim, M.; Klassen, T.; Schreyer, A. [Helmholtz-Zentrum Geesthacht, Centre for Materials and Coastal Research, Max-Planck-Strasse 1, D-21502 Geesthacht (Germany)

    2015-10-11

    In situ neutron radiography allows for the time-resolved study of hydrogen distribution in metal hydrides. However, for a precise quantitative investigation of a time-dependent hydrogen content within a host material, an exact knowledge of the corresponding attenuation coefficient is necessary. Additionally, the effect of scattering has to be considered as it is known to violate Beer's law, which is used to determine the amount of hydrogen from a measured intensity distribution. Within this study, we used a metal hydride inside two different hydrogen storage tanks as host systems, consisting of steel and aluminum. The neutron beam attenuation by hydrogen was investigated in these two different setups during the hydrogen absorption process. A linear correlation to the amount of absorbed hydrogen was found, allowing for a readily quantitative investigation. Further, an analysis of scattering contributions on the measured intensity distributions was performed and is described in detail.

  8. Hydrogen desorption kinetics from zirconium hydride and zirconium metal in vacuum

    International Nuclear Information System (INIS)

    Hu, Xunxiang; Terrani, Kurt A.; Wirth, Brian D.

    2014-01-01

    The kinetics of hydrogen desorption from zirconium hydride is important in many nuclear design and safety applications. In this paper, a coordinated experimental and modeling study has been used to explicitly demonstrate the applicability of existing kinetic theories for hydrogen desorption from zirconium hydride and α-zirconium. A static synthesis method was used to produce δ-zirconium hydride, and the crystallographic phases of the zirconium hydride were confirmed by X-ray diffraction (XRD). Three obvious stages, involving δ-zirconium hydride, a two-phase region, and α-zirconium, were observed in the hydrogen desorption spectra of two zirconium hydride specimens with H/Zr ratios of 1.62 and 1.64, respectively, which were obtained using thermal desorption spectroscopy (TDS). A continuous, one-dimensional, two-phase moving boundary model, coupled with the zero- and second-order kinetics of hydrogen desorption from δ-zirconium hydride and α-zirconium, respectively, has been developed to reproduce the TDS experimental results. A comparison of the modeling predictions with the experimental results indicates that a zero-order kinetic model is valid for description of hydrogen flux away from the δ-hydride phase, and that a second-order kinetic model works well for hydrogen desorption from α-Zr if the activation energy of desorption is optimized to be 70% of the value reported in the literature

  9. Composition design and mechanical properties of ternary Cu–Zr–Ti bulk metallic glasses

    International Nuclear Information System (INIS)

    Pan, Ye; Zeng, Yuqiao; Jing, Lijun; Zhang, Lu; Pi, Jinhong

    2014-01-01

    Highlights: • Newly designed monolithic bulk metallic glasses are of good glass-forming ability. • Cu 50 Zr 44 Ti 6 exhibits excellent plastic deformation up to ∼7.4%. • Copious and intersected shear bans are observed in the fractography of Cu 50 Zr 44 Ti 6 . • Cu 50 Zr 44 Ti 6 has the best plasticity in the ternary Cu–Zr–Ti bulk metallic glasses. - Abstract: The new compositions of ternary Cu–Zr–Ti bulk metallic glasses are predicted by integrating calculation of vacancy formation energy, mixing enthalpy and configuration entropy of the alloys based on thermodynamics of glass formers. The monolithic amorphous rods of 3 mm diameter have been successfully fabricated, and characterized by X-ray diffractometry, differential scanning calorimetry, scanning electronic microscopy, transmission electronic microscopy and compression tests. The results show that the designed alloys possess good glass forming ability and excellent mechanical properties. The mechanical properties of the samples can be effectively improved by regulating their composition. The monolithic amorphous rod of Cu 50 Zr 44 Ti 6 exhibits a high fracture strength of 1855 MPa and excellent plastic deformation up to ∼7.4%. The formation and propagation of shear bands in samples are also investigated. The enhancement of plastic deformation is mainly contributed to multiplication and intersection of shear bands

  10. Hydrogenation of cyclohexene with LaNi5−xAlxHn metal hydrides suspended in cyclohexane or ethanol

    NARCIS (Netherlands)

    Snijder, E.D.; Versteeg, G.F.; Swaaij, W.P.M. van

    1993-01-01

    The hydrogenation of cyclohexene on the metal hydride forming alloys LaNi4.8Al0.2, LaNi4.9Al0.1 and LaNi5, all suspended in cyclohexane and LaNi5 suspended in ethanol, has been investigated. Two sources for hydrogen are recognized: hydrogen supplied by the gas phase and hydrogen which is available

  11. Hydrogenation of cyclohexene with LaNi@#5@#-@#x@#Al@#x@#Hn metal hydrides, suspended in cyclohexane or ethanol

    NARCIS (Netherlands)

    Snijder, E.D.; Snijder, E.D.; Versteeg, Geert; van Swaaij, Willibrordus Petrus Maria

    1993-01-01

    The hydrogenation of cyclohexene on the metal hydride forming alloys LaNi4.8Al0.2, LaNi4.9Al0.1 and LaNi5, all suspended in cyclohexane and LaNi5 suspended in ethanol, has been investigated. Two sources for hydrogen are recognized: hydrogen supplied by the gas phase and hydrogen which is available

  12. Getting metal-hydrides to do what you want them to

    International Nuclear Information System (INIS)

    Gruen, D.M.

    1981-01-01

    With the discovery of AB 5 compounds, intermetallic hydrides with unusual properties began to be developed (H dissociation pressures of one to several atmospheres, extremely rapid and reversible adsorption/desorption very large amounts of H adsorbed). This paper reviews the factors that must be controlled in order to modify these hydrides to make them useful. The system LaNi 5 + H 2 is used as example. Use of AB 5 hydrides to construct a chemical heat pumps is discussed. Results of a systematic study substituting Al for Ni are reported; the HYCSOS pump is described briefly. Use of hydrides as hydrogen getters (substituted ZrV 2 ) is also discussed. Finally, possible developments in intermetallic hydride research in the 1980's and the hydrogen economy are discussed. 10 figures

  13. Hydrogen storage properties of carbon nanomaterials and carbon containing metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Maehlen, Jan Petter

    2003-07-01

    The topic of this thesis is structural investigations of carbon containing materials in respect to their hydrogen storage properties. This work was initially triggered by reports of extremely high hydrogen storage capacities of specific carbon nanostructures. It was decided to try to verify and understand the mechanisms in play in case of the existence of such high hydrogen densities in carbon. Two different routes towards the goal were employed; by studying selected hydrides with carbon as one of its constituents (mainly employing powder diffraction techniques in combination with hydrogen absorption and desorption measurements) and by carefully conducting hydrogen sorption experiments on what was believed to be the most ''promising'' carbon nanomaterial sample. In the latter case, a lot of effort was attributed to characterisations of different carbon nanomaterial containing samples with the aid of electron microscopy. Three different carbon-containing metal hydride systems, Y2C-H, YCoC-H and Y5SiC0.2-H, were examined. A relation between hydrogen occupation and the local arrangement of metal and carbon atoms surrounding the hydrogen sites was established. Several characteristic features of the compounds were noted in addition to solving the structure of the former unknown deuterideY5Si3C0.2D2.0 by the use of direct methods. Several carbon-nanomaterial containing samples were studied by means of transmission electron microscopy and powder diffraction, thus gaining knowledge concerning the structural aspects of nanomaterials. Based on these investigations, a specific sample containing a large amount of open-ended single-wall carbon nanotubes was chosen for subsequent hydrogen storage experiments. The latter experiments revealed moderate hydrogen storage capacities of the nanotubes not exceeding the values obtained for more conventional forms of carbon. These two different routes in investigating the hydrogen storage properties of carbon and carbon containing alloys

  14. Hydrogen storage properties of carbon nanomaterials and carbon containing metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Maehlen, Jan Petter

    2003-07-01

    The topic of this thesis is structural investigations of carbon containing materials in respect to their hydrogen storage properties. This work was initially triggered by reports of extremely high hydrogen storage capacities of specific carbon nanostructures. It was decided to try to verify and understand the mechanisms in play in case of the existence of such high hydrogen densities in carbon. Two different routes towards the goal were employed; by studying selected hydrides with carbon as one of its constituents (mainly employing powder diffraction techniques in combination with hydrogen absorption and desorption measurements) and by carefully conducting hydrogen sorption experiments on what was believed to be the most ''promising'' carbon nanomaterial sample. In the latter case, a lot of effort was attributed to characterisations of different carbon nanomaterial containing samples with the aid of electron microscopy. Three different carbon-containing metal hydride systems, Y2C-H, YCoC-H and Y5SiC0.2-H, were examined. A relation between hydrogen occupation and the local arrangement of metal and carbon atoms surrounding the hydrogen sites was established. Several characteristic features of the compounds were noted in addition to solving the structure of the former unknown deuterideY5Si3C0.2D2.0 by the use of direct methods. Several carbon-nanomaterial containing samples were studied by means of transmission electron microscopy and powder diffraction, thus gaining knowledge concerning the structural aspects of nanomaterials. Based on these investigations, a specific sample containing a large amount of open-ended single-wall carbon nanotubes was chosen for subsequent hydrogen storage experiments. The latter experiments revealed moderate hydrogen storage capacities of the nanotubes not exceeding the values obtained for more conventional forms of carbon. These two different routes in investigating the hydrogen storage properties of carbon and

  15. Phase equilibria in M-X-X' and M-Al-X ternary systems (M-transition metal, X,X'-B,C,N,Si) and crystal chemistry of ternary compounds

    International Nuclear Information System (INIS)

    Gusev, A.I.

    1996-01-01

    The data on phase equilibria in the M-X-X' and M-Al-X ternary systems (M-transition metal of 3 to 8 groups, X-B,C, N, Si) have been considered and summarized. modern oxygen-free advanced ceramics is based on these ternary systems. Phase diagrams of the 130 ternary systems have been discussed, more than two hundred ternary phases forming in these systems have been systematized and described. The typical crystal structures of ternary compounds and phase have been considered, the common and distinctive features of these structures have been analysed. It has been shown that the ternary compounds with octahedral atomic groups XM 6 have a regions of homogeneity. Refs. 240

  16. Optimization and comprehensive characterization of metal hydride based hydrogen storage systems using in-situ Neutron Radiography

    Science.gov (United States)

    Börries, S.; Metz, O.; Pranzas, P. K.; Bellosta von Colbe, J. M.; Bücherl, T.; Dornheim, M.; Klassen, T.; Schreyer, A.

    2016-10-01

    For the storage of hydrogen, complex metal hydrides are considered as highly promising with respect to capacity, reversibility and safety. The optimization of corresponding storage tanks demands a precise and time-resolved investigation of the hydrogen distribution in scaled-up metal hydride beds. In this study it is shown that in situ fission Neutron Radiography provides unique insights into the spatial distribution of hydrogen even for scaled-up compacts and therewith enables a direct study of hydrogen storage tanks. A technique is introduced for the precise quantification of both time-resolved data and a priori material distribution, allowing inter alia for an optimization of compacts manufacturing process. For the first time, several macroscopic fields are combined which elucidates the great potential of Neutron Imaging for investigations of metal hydrides by going further than solely 'imaging' the system: A combination of in-situ Neutron Radiography, IR-Thermography and thermodynamic quantities can reveal the interdependency of different driving forces for a scaled-up sodium alanate pellet by means of a multi-correlation analysis. A decisive and time-resolved, complex influence of material packing density is derived. The results of this study enable a variety of new investigation possibilities that provide essential information on the optimization of future hydrogen storage tanks.

  17. Conference 'Chemistry of hydrides' Proceedings

    International Nuclear Information System (INIS)

    1991-07-01

    This collection of thesis of conference of Chemistry hydrides presents the results of investigations concerning of base questions of chemistry of nonorganic hydrides, including synthesis questions, studying of physical and chemical properties, thermodynamics, analytical chemistry, investigation of structure, equilibriums in the systems of metal-hydrogen, behaviour of nonorganic hydrides in non-water mediums and applying investigations in the chemistry area and technology of nonorganic hydrides

  18. Rare earth element recycling from waste nickel-metal hydride batteries.

    Science.gov (United States)

    Yang, Xiuli; Zhang, Junwei; Fang, Xihui

    2014-08-30

    With an increase in number of waste nickel-metal hydride batteries, and because of the importance of rare earth elements, the recycling of rare earth elements is becoming increasingly important. In this paper, we investigate the effects of temperature, hydrochloric acid concentration, and leaching time to optimize leaching conditions and determine leach kinetics. The results indicate that an increase in temperature, hydrochloric acid concentration, and leaching time enhance the leaching rate of rare earth elements. A maximum rare earth elements recovery of 95.16% was achieved at optimal leaching conditions of 70°C, solid/liquid ratio of 1:10, 20% hydrochloric acid concentration, -74μm particle size, and 100min leaching time. The experimental data were best fitted by a chemical reaction-controlled model. The activation energy was 43.98kJ/mol and the reaction order for hydrochloric acid concentration was 0.64. The kinetic equation for the leaching process was found to be: 1-(1-x)(1/3)=A/ρr0[HCl](0.64)exp-439,8008.314Tt. After leaching and filtration, by adding saturated oxalic solution to the filtrate, rare earth element oxalates were obtained. After removing impurities by adding ammonia, filtering, washing with dilute hydrochloric acid, and calcining at 810°C, a final product of 99% pure rare earth oxides was obtained. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. Pulse power 350 V nickel-metal hydride battery power-D-005-00181

    Science.gov (United States)

    Eskra, Michael D.; Ralston, Paula; Salkind, Alvin; Plivelich, Robert F.

    Energy-storage devices are needed for applications requiring very high-power over short periods of time. Such devices have various military (rail guns, electromagnetic launchers, and DEW) and commercial applications, such as hybrid electric vehicles, vehicle starting (SLI), and utility peak shaving. The storage and delivery of high levels of burst power can be achieved with a capacitor, flywheel, or rechargeable battery. In order to reduce the weight and volume of many systems they must contain advanced state-of-the-art electrochemical or electromechanical power sources. There is an opportunity and a need to develop energy-storage devices that have improved high-power characteristics compared to existing ultra capacitors, flywheels or rechargeable batteries. Electro Energy, Inc. has been engaged in the development of bipolar nickel-metal hydride batteries, which may fulfil the requirements of some of these applications. This paper describes a module rated at 300 V (255 cells) (6 Ah). The volume of the module is 23 L and the mass is 56 kg. The module is designed to deliver 50 kW pulses of 10 s duration at 50% state-of-charge. Details of the mechanical design of the module, safety considerations, along with the results of initial electrical characterization testing by the customer will be discussed. Some discussion of the possibilities for design optimization is also included.

  20. Solar photovoltaic charging of high voltage nickel metal hydride batteries using DC power conversion

    Science.gov (United States)

    Kelly, Nelson A.; Gibson, Thomas L.

    There are an increasing number of vehicle choices available that utilize batteries and electric motors to reduce tailpipe emissions and increase fuel economy. The eventual production of electricity and hydrogen in a renewable fashion, such as using solar energy, can achieve the long-term vision of having no tailpipe environmental impact, as well as eliminating the dependence of the transportation sector on dwindling supplies of petroleum for its energy. In this report we will demonstrate the solar-powered charging of the high-voltage nickel-metal hydride (NiMH) battery used in the GM 2-mode hybrid system. In previous studies we have used low-voltage solar modules to produce hydrogen via the electrolysis of water and to directly charge lithium-ion battery modules. Our strategy in the present work was to boost low-voltage PV voltage to over 300 V using DC-DC converters in order to charge the high-voltage NiMH battery, and to regulate the battery charging using software to program the electronic control unit supplied with the battery pack. A protocol for high-voltage battery charging was developed, and the solar to battery charging efficiency was measured under a variety of conditions. We believe this is the first time such high-voltage batteries have been charged using solar energy in order to prove the concept of efficient, solar-powered charging for battery-electric vehicles.

  1. Hydrogen-absorbing alloys for the nickel-metal hydride battery

    Energy Technology Data Exchange (ETDEWEB)

    Mingming Geng; Jianwen Han; Feng Feng [University of Windsor, Ontario (Canada). Mechanical and Materials Engineering; Northwood, D.O. [University of Windsor, Ontario (Canada). Mechanical and Materials Engineering]|[Ryerson Polytechnic University, Toronto (Canada)

    1998-12-31

    In recent years, owing to the rapid development of portable electronic and electrical appliances, the market for rechargeable batteries has increased at a high rate. The nickel-metal hydride battery (Ni/MH) is one of the more promising types, because of its high capacity, high-rate charge/discharge capability and non-polluting nature. This type of battery uses a hydrogen storage alloy as its negative electrode. The characteristics of the Ni/MH battery, including discharge voltage, high-rate discharge capability and charge/discharge cycle lifetime are mainly determined by the construction of the negative electrode and the composition of the hydrogen-absorbing alloy. The negative electrode of the Ni/MH battery described in this paper was made from a mixture of hydrogen-absorbing alloy, nickel powder and polytetrafluoroethylene (PTFE). A multicomponent MmNi{sub 5}-based alloy (Mm{sub 0.95}Ti{sub 0.05}Ni{sub 3.85} Co{sub 0.45}Mn{sub 0.35}Al{sub 0.35}) was used as the hydrogen-absorbing alloy. The discharge characteristics of the negative electrode, including discharge capacity, cycle lifetime, and polarization overpotential, were studied by means of electrochemical experiments and analysis. The decay of the discharge capacity for the Ni/MH battery (AA size, 1 Ah) was about 1% after 100 charge/discharge cycles and 10% after 500 charge/discharge cycles. (author)

  2. Gas atomization of Cu-modified AB5 metal hydride alloys

    International Nuclear Information System (INIS)

    Young, K.; Ouchi, T.; Banik, A.; Koch, J.; Fetcenko, M.A.; Bendersky, L.A.; Wang, K.; Vaudin, M.

    2011-01-01

    Research highlights: → The gas atomization process together with a hydrogen annealing process was demonstrated on AB5 alloys. → The method was found to be effective in restoring the original cycle life sacrificed by the incorporation of copper in the alloy formula as a means of improving the low temperature performance of AB 5 alloys. → The new process also improves high rate, low temperature, and charge retention performances for both Cu-free and Cu-containing AB 5 alloys. - Abstract: Gas atomization together with a hydrogen annealing process has been proposed as a method to achieve improved low-temperature performance of AB 5 alloy electrodes in Ni/MH batteries and restore the original cycle life which was sacrificed by the incorporation of copper in the alloy formula. While the gas atomization process reduces the lattice constant aspect ratio c/a of the Cu-containing alloys, the addition of a hydrogen annealing step recovers this property, although it is still inferior to the conventionally prepared annealed Cu-free alloy. This observation correlates very well with the cycle life performance. In addition to extending the cycle life of the Cu-containing metal hydride electrode, processing by gas atomization with additional hydrogen annealing improves high-rate, low-temperature, and charge retention performances for both Cu-free and Cu-containing AB 5 alloys. The degradation mechanisms of alloys made by different processes through cycling are also discussed.

  3. 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.

  4. Studies on MgNi-Based Metal Hydride Electrode with Aqueous Electrolytes Composed of Various Hydroxides

    Directory of Open Access Journals (Sweden)

    Jean Nei

    2016-08-01

    Full Text Available Compositions of MgNi-based amorphous-monocrystalline thin films produced by radio frequency (RF sputtering with a varying composition target have been optimized. The composition Mg52Ni39Co3Mn6 is identified to possess the highest initial discharge capacity of 640 mAh·g−1 with a 50 mA·g−1 discharge current density. Reproduction in bulk form of Mg52Ni39Co3Mn6 alloy composition was prepared through a combination of melt spinning (MS and mechanical alloying (MA, shows a sponge-like microstructure with >95% amorphous content, and is chosen as the metal hydride (MH alloy for a sequence of electrolyte experiments with various hydroxides including LiOH, NaOH, KOH, RbOH, CsOH, and (C2H54N(OH. The electrolyte conductivity is found to be closely related to cation size in the hydroxide compound used as 1 M additive to the 4 M KOH aqueous solution. The degradation performance of Mg52Ni39Co3Mn6 alloy through cycling demonstrates a strong correlation with the redox potential of the cation in the alkali hydroxide compound used as 1 M additive to the 5 M KOH aqueous solution. NaOH, CsOH, and (C2H54N(OH additions are found to achieve a good balance between corrosion and conductivity performances.

  5. Electron Backscatter Diffraction Studies on the Formation of Superlattice Metal Hydride Alloys

    Directory of Open Access Journals (Sweden)

    Shuli Yan

    2017-12-01

    Full Text Available Microstructures of a series of La-Mg-Ni-based superlattice metal hydride alloys produced by a novel method of interaction of a LaNi5 alloy and Mg vapor were studied using a combination of X-ray energy dispersive spectroscopy and electron backscatter diffraction. The conversion rate of LaNi5 increased from 86.8% into 98.2%, and the A2B7 phase abundance increased from 42.5 to 45.8 wt % and reduced to 39.2 wt % with the increase in process time from four to 32 h. During the first stage of reaction, Mg formed discrete grains with the same orientation, which was closely related to the orientation of the host LaNi5 alloy. Mg then diffused through the ab-phase of LaNi5 and formed the AB2, AB3, and A2B7 phases. Diffusion of Mg stalled at the grain boundary of the host LaNi5 alloy. Good alignments in the c-axis between the newly formed superlattice phases and LaNi5 were observed. The density of high-angle grain boundary decreased with the increase in process time and was an indication of lattice cracking.

  6. Metal hydride and pyrophoric fuel additives for dicyclopentadiene based hybrid propellants

    Science.gov (United States)

    Shark, Steven C.

    The purpose of this study is to investigate the use of reactive energetic fuel additives that have the potential to increase the combustion performance of hybrid rocket propellants in terms of solid fuel regression rate and combustion efficiency. Additives that can augment the combustion flame zone in a hybrid rocket motor by means of increased energy feedback to the fuel grain surface are of great interest. Metal hydrides have large volumetric hydrogen densities, which gives these materials high performance potential as fuel additives in terms of specifc impulse. The excess hydrogen and corresponding base metal may also cause an increase in the hybrid rocket solid fuel regression rate. Pyrophoric additives also have potential to increase the solid fuel regression rate by reacting more readily near the burning fuel surface providing rapid energy feedback. An experimental performance evaluation of metal hydride fuel additives for hybrid rocket motor propulsion systems is examined in this study. Hypergolic ignition droplet tests and an accelerated aging study revealed the protection capabilities of Dicyclopentadiene (DCPD) as a fuel binder, and the ability for unaided ignition. Static hybrid rocket motor experiments were conducted using DCPD as the fuel. Sodium borohydride (NabH4) and aluminum hydride (AlH3) were examined as fuel additives. Ninety percent rocket grade hydrogen peroxide (RGHP) was used as the oxidizer. In this study, the sensitivity of solid fuel regression rate and characteristic velocity (C*) efficiency to total fuel grain port mass flux and particle loading is examined. These results were compared to HTPB combustion performance as a baseline. Chamber pressure histories revealed steady motor operation in most tests, with reduced ignition delays when using NabH4 as a fuel additive. The addition of NabH4 and AlH3 produced up to a 47% and 85% increase in regression rate over neat DCPD, respectively. For all test conditions examined C* efficiency ranges

  7. Development of battery management system for nickel-metal hydride batteries in electric vehicle applications

    Science.gov (United States)

    Jung, Do Yang; Lee, Baek Haeng; Kim, Sun Wook

    Electric vehicle (EV) performance is very dependent on traction batteries. For developing electric vehicles with high performance and good reliability, the traction batteries have to be managed to obtain maximum performance under various operating conditions. Enhancement of battery performance can be accomplished by implementing a battery management system (BMS) that plays an important role in optimizing the control mechanism of charge and discharge of the batteries as well as monitoring the battery status. In this study, a BMS has been developed for maximizing the use of Ni-MH batteries in electric vehicles. This system performs several tasks: the control of charging and discharging, overcharge and over-discharge protection, the calculation and display of state-of-charge (SOC), safety, and thermal management. The BMS is installed in and tested in a DEV5-5 electric vehicle developed by Daewoo Motor Co. and the Institute for Advanced Engineering in Korea. Eighteen modules of a Panasonic nickel-metal hydride (Ni-MH) battery, 12 V, 95 A h, are used in the DEV5-5. High accuracy within a range of 3% and good reliability are obtained. The BMS can also improve the performance and cycle-life of the Ni-MH battery peak, as well as the reliability and the safety of the electric vehicles.

  8. Alkali Metal Cation Affinities of Anionic Main Group-Element Hydrides Across the Periodic Table.

    Science.gov (United States)

    Boughlala, Zakaria; Fonseca Guerra, Célia; Bickelhaupt, F Matthias

    2017-10-05

    We have carried out an extensive exploration of gas-phase alkali metal cation affinities (AMCA) of archetypal anionic bases across the periodic system using relativistic density functional theory at ZORA-BP86/QZ4P//ZORA-BP86/TZ2P. AMCA values of all bases were computed for the lithium, sodium, potassium, rubidium and cesium cations and compared with the corresponding proton affinities (PA). One purpose of this work is to provide an intrinsically consistent set of values of the 298 K AMCAs of all anionic (XH n-1 - ) constituted by main group-element hydrides of groups 14-17 along the periods 2-6. In particular, we wish to establish the trend in affinity for a cation as the latter varies from proton to, and along, the alkali cations. Our main purpose is to understand these trends in terms of the underlying bonding mechanism using Kohn-Sham molecular orbital theory together with a quantitative bond energy decomposition analyses (EDA). © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. The ternary post-transition metal carbodiimide SrZn(NCN)2

    International Nuclear Information System (INIS)

    Corkett, Alex J.; Konze, Philipp M.; Dronskowski, Richard

    2017-01-01

    SrZn(NCN) 2 , the first example of a ternary post-transition metal carbodiimide, was prepared by a solid-state metathesis reaction. The crystal structure was solved from PXRD data and found to adopt the orthorhombic (Cmcm) BaZnSO structure, a high symmetry modification of that expressed by the oxide analogue SrZnO 2 . Locally, SrZn(NCN) 2 features ZnN 4 tetrahedra and SrN 6 trigonal prisms similar to those in quarternary LiSr 2 M(NCN) 4 (M = Al 3+ and Ga 3+ ) phases, however, the overall topologies are distinct with single chains in the former and double chains in the latter. Electronic structure calculations indicate an indirect bandgap of about 2.95 eV in SrZn(NCN) 2 , slightly lower than the experimentally observed bandgap of 3.4 eV in SrZnO 2 and consistent with a greater degree of covalency. The structural similarities between SrZn(NCN) 2 and oxychalcogenide analogues highlight the pseudochalcogenide character of NCN 2- and suggest that the title compound may serve as a template for accessing novel ternary carbodiimides featuring tetrahedrally coordinated transition metals. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Efficient Bisphenol-A detection based on the ternary metal oxide (TMO) composite by electrochemical approaches

    International Nuclear Information System (INIS)

    Ahmed, Jahir; Rahman, Mohammed M.; Siddiquey, Iqbal A.; Asiri, Abdullah M.; Hasnat, Mohammad A.

    2017-01-01

    Highlights: •Ternary metal oxides (TMO) composites prepared by wet-chemical method. •Highly sensitive and selective Bisphenol A (BPA) sensor by I–V method. •Ultra-low detection limit was obtained by 3N/S. •Real environmental samples were analyzed. •Health care and environmental safety -- Abstract: A facile wet chemical method in basic medium was used to synthesis the ternary metal oxides (TMO; ZnO.CoO.FeO) composites at low temperature. The calcined TMO was characterized by FESEM, EDS, UV/vis., FTIR spectroscopy, EIS, and XRD systematically. Glassy carbon electrode (GCE) was modified with the TMO using 5% Nafion at room conditions. The resultant electrode was used for selective detection of Bisphenol-A (BPA) using cyclic voltammetry (CV). It was observed that the TMO electrode exhibited an excellent sensitivity (3.28 μAμM −1 cm −2 ), low detection limit (LOD: 1.2 ± 0.1 nM; S/N = 3), higher stability, very good repeatability, and reproducibility. In diagnostic exploration, a linear calibration plot was obtained for a wide range of concentration of BPA (LDR: 0.80 to 7.20 μM; r 2 : 0.99). This method represents an efficient way of sensitive sensor development for the detection of toxic and carcinogenic phenolic compounds.

  11. The ternary post-transition metal carbodiimide SrZn(NCN){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Corkett, Alex J.; Konze, Philipp M. [Institute of Inorganic Chemistry, RWTH Aachen University, Aachen (Germany); Dronskowski, Richard [Institute of Inorganic Chemistry, RWTH Aachen University, Aachen (Germany); Juelich-Aachen Research Alliance (JARA-HPC), RWTH-Aachen University, Aachen (Germany)

    2017-11-17

    SrZn(NCN){sub 2}, the first example of a ternary post-transition metal carbodiimide, was prepared by a solid-state metathesis reaction. The crystal structure was solved from PXRD data and found to adopt the orthorhombic (Cmcm) BaZnSO structure, a high symmetry modification of that expressed by the oxide analogue SrZnO{sub 2}. Locally, SrZn(NCN){sub 2} features ZnN{sub 4} tetrahedra and SrN{sub 6} trigonal prisms similar to those in quarternary LiSr{sub 2}M(NCN){sub 4} (M = Al{sup 3+} and Ga{sup 3+}) phases, however, the overall topologies are distinct with single chains in the former and double chains in the latter. Electronic structure calculations indicate an indirect bandgap of about 2.95 eV in SrZn(NCN){sub 2}, slightly lower than the experimentally observed bandgap of 3.4 eV in SrZnO{sub 2} and consistent with a greater degree of covalency. The structural similarities between SrZn(NCN){sub 2} and oxychalcogenide analogues highlight the pseudochalcogenide character of NCN{sup 2-} and suggest that the title compound may serve as a template for accessing novel ternary carbodiimides featuring tetrahedrally coordinated transition metals. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. Cesium platinide hydride 4Cs{sub 2}Pt.CsH: an intermetallic double salt featuring metal anions

    Energy Technology Data Exchange (ETDEWEB)

    Smetana, Volodymyr [Ames Laboratory, US Department of Energy, and Critical Materials Institute, Ames, Iowa, 50011-3020 (United States); Mudring, Anja-Verena [Ames Laboratory, US Department of Energy, and Critical Materials Institute, Ames, Iowa, 50011-3020 (United States); Department of Materials Sciences and Engineering, Iowa State University, Ames, Iowa, 50011-3111 (United States)

    2016-11-14

    With Cs{sub 9}Pt{sub 4}H a new representative of ionic compounds featuring metal anions can be added to this rare-membered family. Cs{sub 9}Pt{sub 4}H exhibits a complex crystal structure containing Cs{sup +} cations, Pt{sup 2-} and H{sup -} anions. Being a red, transparent compound its band gap is in the visible range of the electromagnetic spectrum and the ionic type of bonding is confirmed by quantum chemical calculations. This cesium platinide hydride can formally be considered as a double salt of the ''alloy'' cesium-platinum, or better cesium platinide, Cs{sub 2}Pt, and the salt cesium hydride CsH according to Cs{sub 9}Pt{sub 4}H≡4 Cs{sub 2}Pt.CsH. (copyright 2016 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Ternary systems

    International Nuclear Information System (INIS)

    Kagan, D.N.; Hubberstey, P.; Barker, M.G.

    1985-01-01

    The paper reviews the experimental and theoretical studies carried out on multicomponent alkali metal systems. Solid-liquid phase equilibria studies are mainly concerned with the systems Na-K-Rb and Na-K-Cs, and data on the liquidus temperatures in these systems are presented. The thermodynamic properties of the ternary Na-K-Cs eutectic system have been determined experimentally, and the enthalpy, heat capacity and excess functions of the alloy are given. An analysis of calculational methods used in determining thermodynamic functions of ternary liquid metals systems is described. Finally, data are tabulated for the density, compressibility, saturated vapour pressure, viscosity and thermal conductivity of the ternary Na-K-Cs eutectic system. (UK)

  14. Rare earth element recycling from waste nickel-metal hydride batteries

    International Nuclear Information System (INIS)

    Yang, Xiuli; Zhang, Junwei; Fang, Xihui

    2014-01-01

    Highlights: • Leaching kinetics of REEs has rarely been reported. • A new method, including hydrochloric acid leaching and oxalic acid precipitation, was proposed. • REEs recovery rate of 95.16% and pure rare earth oxides of 99% were obtained. • Leaching process was controlled by chemical reaction. • The kinetic equation was determined. - Abstract: With an increase in number of waste nickel-metal hydride batteries, and because of the importance of rare earth elements, the recycling of rare earth elements is becoming increasingly important. In this paper, we investigate the effects of temperature, hydrochloric acid concentration, and leaching time to optimize leaching conditions and determine leach kinetics. The results indicate that an increase in temperature, hydrochloric acid concentration, and leaching time enhance the leaching rate of rare earth elements. A maximum rare earth elements recovery of 95.16% was achieved at optimal leaching conditions of 70 °C, solid/liquid ratio of 1:10, 20% hydrochloric acid concentration, −74 μm particle size, and 100 min leaching time. The experimental data were best fitted by a chemical reaction-controlled model. The activation energy was 43.98 kJ/mol and the reaction order for hydrochloric acid concentration was 0.64. The kinetic equation for the leaching process was found to be: 1−(1−x) 1/3 =A/ρr 0 [HCl] 0.64 exp((−439,800)/(8.314T) )t. After leaching and filtration, by adding saturated oxalic solution to the filtrate, rare earth element oxalates were obtained. After removing impurities by adding ammonia, filtering, washing with dilute hydrochloric acid, and calcining at 810 °C, a final product of 99% pure rare earth oxides was obtained

  15. Equivalent circuit parameters of nickel/metal hydride batteries from sparse impedance measurements

    Science.gov (United States)

    Nelatury, Sudarshan Rao; Singh, Pritpal

    In a recent communication, a method for extracting the equivalent circuit parameters of a lead acid battery from sparse (only three) impedance spectroscopy observations at three different frequencies was proposed. It was based on an equivalent circuit consisting of a bulk resistance, a reaction resistance and a constant phase element (CPE). Such a circuit is a very appropriate model of a lead-acid cell at high state of charge (SOC). This paper is a sequel to it and presents an application of it in case of nickel/metal hydride (Ni/MH) batteries, which also at high SOC are represented by the same circuit configuration. But when the SOC of a Ni/MH battery under interrogation goes low, The EIS curve has a positive slope at the low frequency end and our technique yields complex values for the otherwise real circuit parameters, suggesting the need for additional elements in the equivalent circuit and a definite relationship between parameter consistency and SOC. To improvise the previous algorithm, in order that it works reasonably well at both high and low SOCs, we propose three more measurements—two at very low frequencies to include the Warburg response and one at a high frequency to model the series inductance, in addition to the three in the mid frequency band—totally six measurements. In most of the today's instrumentation, it is the user who should choose the circuit configuration and the number of frequencies where impedance should be measured and the accompanying software performs data fitting by complex nonlinear least squares. The proposed method has built into it an SOC-based decision-making capability—both to choose the circuit configuration and to estimate the values of the circuit elements.

  16. Development of nickel/metal-hydride batteries for EVs and HEVs

    Science.gov (United States)

    Taniguchi, Akihiro; Fujioka, Noriyuki; Ikoma, Munehisa; Ohta, Akira

    This paper is to introduce the nickel/metal-hydride (Ni/MH) batteries for electric vehicles (EVs) and hybrid electric vehicles (HEVs) developed and mass-produced by our company. EV-95 for EVs enables a vehicle to drive approximately 200 km per charge. As the specific power is extremely high, more than 200 W/kg at 80% depth of discharge (DOD), the acceleration performance is equivalent to that of gasoline fuel automobiles. The life characteristic is also superior. This battery gives the satisfactory result of more than 1000 cycles in bench tests and approximately 4-year on-board driving. EV-28 developed for small EVs comprises of a compact and light battery module with high specific power of 300 W/kg at 80% DOD by introducing a new technology for internal cell connection. Meanwhile, our cylindrical battery for the HEV was adopted into the first generation Toyota Prius in 1997 which is the world's first mass-product HEV, and has a high specific power of 600 W/kg. Its life characteristic was found to be equivalent to more than 100,000 km driving. Furthermore, a new prismatic module in which six cells are connected internally was used for the second generation Prius in 2000. The prismatic battery comprises of a compact and light battery pack with a high specific power of 1000 W/kg, which is approximately 1.7 times that of conventional cylindrical batteries, as a consequence of the development of a new internal cell connection and a new current collection structure.

  17. Advances in the development of ovonic nickel metal hydride batteries for industrial and electric vehicles

    International Nuclear Information System (INIS)

    Venkatesan, S.; Fetcenko, M.A.; Dhar, S.K.; Ovshinsky, S.R.

    1991-01-01

    This paper reports that increasing concerns over urban pollution and continued uncertainties about oil supplies have forced the government and industry to refocus their attention on electric vehicles. Despite enormous expenditures in research and development for the ideal battery system, no commercially viable candidate has emerged. The battery systems being considered today due to renewed environmental concerns are still the same systems that were so extensively tested over the last 15 years. For immediate application, an electric vehicle designer has very little choice other than the lead-acid battery despite the fact that energy density is so low as to make vehicle range inadequate, as well as the need for replacement every 20,000 miles. The high energy density projections of Na-S and other so-called high energy batteries have proven to be significantly less in practical modules and there are still concern over cycle life which can be attained under aggressive conditions, reliability under freeze/thaw cycling and consequences resulting from high temperature operation. The conventional nickel-based systems (Ni- Zn, Ni-Fe, Ni-Cd) provide near term higher energy density as compared to lead-acid, but still do not address other important issues such as long life, the need for maintenance-free operation, the use of nontoxic materials and low cost. Against this background, the development of Ovonic Nickel-Metal Hydride (Ni-MH) batteries for electric vehicles has been rapid and successful. Ovonic No-Mh battery technology is uniquely qualified for electric vehicles due to its high energy density, high discharge rate capability, non-toxic alloys, long cycle life. low cost, tolerance to abuse and ability to be sealed for totally maintenance free operation

  18. Mechanistic aspects of dinitrogen cleavage and hydrogenation to produce ammonia in catalysis and organometallic chemistry: relevance of metal hydride bonds and dihydrogen.

    Science.gov (United States)

    Jia, Hong-Peng; Quadrelli, Elsje Alessandra

    2014-01-21

    Dinitrogen cleavage and hydrogenation by transition-metal centers to produce ammonia is central in industry and in Nature. After an introductory section on the thermodynamic and kinetic challenges linked to N2 splitting, this tutorial review discusses three major classes of transition-metal systems (homogeneous, heterogeneous and biological) capable of achieving dissociation and hydrogenation of dinitrogen. Molecular complexes, solid-state Haber-Bosch catalytic systems, silica-supported tantalum hydrides and nitrogenase will be discussed. Emphasis is focused on the reaction mechanisms operating in the process of dissociation and hydrogenation of dinitrogen, and in particular on the key role played by metal hydride bonds and by dihydrogen in such reactions.

  19. Hydrogen transmission/storage with a metal hydride/organic slurry

    Energy Technology Data Exchange (ETDEWEB)

    Breault, R.W.; Rolfe, J.; McClaine, A. [Thermo Power Corp., Waltham, MA (United States)

    1998-08-01

    Thermo Power Corporation has developed a new approach for the production, transmission, and storage of hydrogen. In this approach, a chemical hydride slurry is used as the hydrogen carrier and storage media. The slurry protects the hydride from unanticipated contact with moisture in the air and makes the hydride pumpable. At the point of storage and use, a chemical hydride/water reaction is used to produce high-purity hydrogen. An essential feature of this approach is the recovery and recycle of the spent hydride at centralized processing plants, resulting in an overall low cost for hydrogen. This approach has two clear benefits: it greatly improves energy transmission and storage characteristics of hydrogen as a fuel, and it produces the hydrogen carrier efficiently and economically from a low cost carbon source. The preliminary economic analysis of the process indicates that hydrogen can be produced for $3.85 per million Btu based on a carbon cost of $1.42 per million Btu and a plant sized to serve a million cars per day. This compares to current costs of approximately $9.00 per million Btu to produce hydrogen from $3.00 per million Btu natural gas, and $25 per million Btu to produce hydrogen by electrolysis from $0.05 per Kwh electricity. The present standard for production of hydrogen from renewable energy is photovoltaic-electrolysis at $100 to $150 per million Btu.

  20. Study of mixed ternary transition metal ferrites as potential electrodes for supercapacitor applications

    Directory of Open Access Journals (Sweden)

    Bhamini Bhujun

    Full Text Available Nanocrystallites of three mixed ternary transition metal ferrite (MTTMF were prepared by a facile sol–gel method and adopted as electrode material for supercapacitors. The phase development of the samples was determined using Fourier transform infrared (FT-IR and thermal gravimetric analysis (TG. X-ray diffraction (XRD analysis revealed the formation of a single-phase spinel ferrite in CuCoFe2O4 (CuCoF, NiCoFe2O4 (NiCoF and NiCuFe2O4 (NiCuF. The surface characteristics and elemental composition of the nanocomposites have been studied by means of field emission scanning electron microscopy (FESEM, as well as energy dispersive spectroscopy (EDS. The electrochemical performance of the nanomaterials was evaluated using a two-electrode configuration by cyclic voltammetry, electrochemical impedance spectroscopy and galvanostatic technique in 1 M KOH electrolyte and was found to be in the order of: CuCoF > NiCoF > NiCuF. A maximum specific capacitance of 221 Fg−1 was obtained with CuCoF at a scan rate of 5 mV s−1. In addition to an excellent cycling stability, an energy density of 7.9 kW kg−1 was obtained at a current density of 1 Ag−1. The high electrochemical performance of the MTTMF nanocomposites obtained indicates that these materials are promising electrodes for supercapacitors. Keywords: Mixed ternary transition metal ferrite (MTTMF, Nanocomposites, Sol–gel, Cyclic voltammetry, Asymmetric supercapacitor

  1. Current status of environmental, health, and safety issues of nickel metal-hydride batteries for electric vehicles

    Energy Technology Data Exchange (ETDEWEB)

    Corbus, D; Hammel, C J; Mark, J

    1993-08-01

    This report identifies important environment, health, and safety issues associated with nickel metal-hydride (Ni-MH) batteries and assesses the need for further testing and analysis. Among the issues discussed are cell and battery safety, workplace health and safety, shipping requirements, and in-vehicle safety. The manufacture and recycling of Ni-MH batteries are also examined. This report also overviews the ``FH&S`` issues associated with other nickel-based electric vehicle batteries; it examines venting characteristics, toxicity of battery materials, and the status of spent batteries as a hazardous waste.

  2. Clean Grain Boundary Found in C14/Body-Center-Cubic Multi-Phase Metal Hydride Alloys

    Directory of Open Access Journals (Sweden)

    Hao-Ting Shen

    2016-06-01

    Full Text Available The grain boundaries of three Laves phase-related body-center-cubic (bcc solid-solution, metal hydride (MH alloys with different phase abundances were closely examined by scanning electron microscopy (SEM, transmission electron microscopy (TEM, and more importantly, electron backscatter diffraction (EBSD techniques. By using EBSD, we were able to identify the alignment of the crystallographic orientations of the three major phases in the alloys (C14, bcc, and B2 structures. This finding confirms the presence of crystallographically sharp interfaces between neighboring phases, which is a basic assumption for synergetic effects in a multi-phase MH system.

  3. Current status of environmental, health, and safety issues of nickel metal-hydride batteries for electric vehicles

    International Nuclear Information System (INIS)

    Corbus, D.; Hammel, C.J.; Mark, J.

    1993-08-01

    This report identifies important environment, health, and safety issues associated with nickel metal-hydride (Ni-MH) batteries and assesses the need for further testing and analysis. Among the issues discussed are cell and battery safety, workplace health and safety, shipping requirements, and in-vehicle safety. The manufacture and recycling of Ni-MH batteries are also examined. This report also overviews the ''FH ampersand S'' issues associated with other nickel-based electric vehicle batteries; it examines venting characteristics, toxicity of battery materials, and the status of spent batteries as a hazardous waste

  4. Modifications of the hydriding kinetics of a metallic surface, using ion implantation

    International Nuclear Information System (INIS)

    Crusset, D.

    1992-10-01

    Uranium reacts with hydrogen to form an hydride: this reaction leads to the total destruction of the material. To modify the reactivity of an uranium surface towards hydrogen, ion implantation was selected, among surface treatments techniques. Four elements (carbon, nitrogen, oxygen, sulfur) were implanted to different doses. The results show a modification of the hydriding mechanism and a significant increase in the reaction induction times, notably at high implantation doses. Several techniques (SIMS, X-rays phases analysis and residual stresses determination) were used to characterize the samples and understand the different mechanisms involved

  5. Electrochemical investigations and characterization of a metal hydride alloy (MmNi3.6Al0.4Co0.7Mn0.3) for nickel metal hydride batteries

    International Nuclear Information System (INIS)

    Begum, S. Nathira; Muralidharan, V.S.; Basha, C. Ahmed

    2009-01-01

    The use of new hydrogen absorbing alloys as negative electrodes in rechargeable batteries has allowed the consideration of nickel/metal hydride (Ni/MH) batteries to replace the conventional nickel cadmium alkaline or lead acid batteries. In this study the performance of trisubstituted hydrogen storage alloy (MmNi 3.6 Al 0.4 Co 0.7 Mn 0.3 ) electrodes used as anodes in Ni/MH secondary batteries were evaluated. MH electrodes were prepared and the electrochemical utilization of the active material was investigated. Cyclic voltammetric technique was used to analyze the beneficial effect of the alloy by various substitutions. The electrochemical impedance spectroscopic measurements of the Ni/MH battery were made at various states of depth of discharge. The effect of temperature on specific capacity is studied and specific capacity as a function of discharge current density was also studied and the results were analyzed. The alloy metal hydride electrode was subjected to charge/discharge cycle for more than 200 cycles. The discharge capacities of the alloy remains at 250 mAh/g with a nominal fading in capacity (to the extent of ∼20 mAh/g) on prolonged cycling

  6. A combined theoretical and experimental approach of a new ternary metal oxide in molybdate composite for hybrid energy storage capacitors

    Science.gov (United States)

    Minakshi, M.; Watcharatharapong, T.; Chakraborty, S.; Ahuja, R.

    2018-04-01

    Sustainable energy sources require an efficient energy storage system possessing excellent electrochemical properties. The better understanding of possible crystal configurations and the development of a new ternary metal oxide in molybdate composite as an electrode for hybrid capacitors can lead to an efficient energy storage system. Here, we reported a new ternary metal oxide in molybdate composite [(Mn1/3Co1/3Ni1/3)MoO4] prepared by simple combustion synthesis with an extended voltage window (1.8 V vs. Carbon) resulting in excellent specific capacity 35 C g-1 (58 F g-1) and energy density (50 Wh kg-1 at 500 W kg-1) for a two electrode system in an aqueous NaOH electrolyte. The binding energies measured for Mn, Co, and Ni 2p are consistent with the literature, and with the metal ions being present as M(II), implying that the oxidation states of the transition metals are unchanged. The experimental findings are correlated well through density functional theory based electronic structure calculations. Our reported work on the ternary metal oxide studies (Mn1/3Co1/3Ni1/3)MoO4 suggests that will be an added value to the materials for energy storage.

  7. Glass formation, magnetic properties and magnetocaloric effect of ternary Ho–Al–Co bulk metallic glass

    International Nuclear Information System (INIS)

    Zhang, Huiyan; Li, Ran; Ji, Yunfei; Liu, Fanmao; Luo, Qiang; Zhang, Tao

    2012-01-01

    A ternary Ho–Al–Co system with high glass-forming ability (GFA) was developed and fully glassy rods with diameters up to 1 cm can be produced for the best glass former of Ho 55 Al 27.5 Co 17.5 alloy. The thermal stability and low-temperature magnetic properties of the Ho 55 Al 27.5 Co 17.5 bulk metallic glass (BMG) were studied. The magnetic transition temperature of this alloy is ∼14 K as determined by the thermomagnetic measurement. Two indicators, i.e. isothermal magnetic entropy change (ΔS M ) and the relative cooling power (RCP), were adopted to evaluate the magnetocaloric effect (MCE) of the alloy under a low magnetic field up to 2 T, which can be generated by permanent magnets. The values of |ΔS M | and RCP are 7.98 J kg −1 K −1 and 191.5 J kg −1 , respectively. The Ho 55 Al 27.5 Co 17.5 BMG with good MCE and high GFA provides an attractive candidate for magnetic refrigeration applications, like hydrogen liquefaction and storage. - Highlights: ► A ternary Ho–Al–Co BMG system with high glass-forming ability was developed. ► Fully glassy rods of Ho 55 Al 27.5 Co 17.5 alloy were produced up to 1 cm in diameter. ► The thermal stability and magnetic properties of the BMG were evaluated. ► The BMG exhibits good magnetocaloric effect under a low magnetic field up to 2 T.

  8. Blistering and hydride embrittlement

    International Nuclear Information System (INIS)

    Louthan, M.R. Jr.

    1975-01-01

    The effects of hydrogen on the mechanical properties of metals have been categorized into several groups. Two of the groups, hydrogen blistering and hydride embrittlement, are reasonably well understood, and problems relating to their occurrence may be avoided if that understanding is used as a basis for selecting alloys for hydrogen service. Blistering and hydride embrittlement are described along with several techniques of materials selection and used to minimize their adverse effects. (U.S.)

  9. Leaching of heavy metals from cementitious composites made of new ternary cements

    Science.gov (United States)

    Kuterasińska-Warwas, Justyna; Król, Anna

    2017-10-01

    The paper presents a comparison of research methods concerning the leaching of harmful substances (selected heavy metal cations ie. Pb, Cu, Zn and Cr) and their degree of immobilization in cement matrices. The new types of ternary cements were used in the study, where a large proportion of cement clinker was replaced by other non-clinker components - industrial wastes, ie. siliceous fly ash from power industry and granulated blast furnace slag from the iron and steel industry. In studied cementitious binders also ground limestone was used, which is a widely available raw material. The aim of research is determining the suitability of new cements for neutralizing harmful substances in the obtained matrices. The application of two research methods in accordance with EN 12457-4 and NEN 7275 intends to reflection of changing environmental conditions whom composite materials may actually undergo during their exploitation or storing on landfills. The results show that cements with high addition of non-clinker components are suitable for stabilization of toxic substances and the obtained cement matrices retain a high degree of immobilization of heavy metals at the level of 99%.

  10. Ultrahigh figure-of-merit for hydrogen generation from sodium borohydride using ternary metal catalysts

    Science.gov (United States)

    Hu, Lunghao; Ceccato, R.; Raj, R.

    We report further increase in the figure-of-merit (FOM) for hydrogen generation from NaBH 4 than reported in an earlier paper [1], where a sub-nanometer layer of metal catalysts are deposited on carbon nanotube paper (CNT paper) that has been functionalized with polymer-derived silicon carbonitride (SiCN) ceramic film. Ternary, Ru-Pd-Pt, instead of the binary Pd-Pt catalyst used earlier, together with a thinner CNT paper is shown to increase the figure-of-merit by up to a factor of six, putting is above any other known catalyst for hydrogen generation from NaBH 4. The catalysts are prepared by first impregnating the functionalized CNT-paper with solutions of the metal salts, followed by reduction in a sodium borohydride solution. The reaction mechanism and the catalyst efficiency are described in terms of an electric charge transfer, whereby the negative charge on the BH 4 - ion is exchanged with hydrogen via the electronically conducting SiCN/CNT substrate [1].

  11. 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.

  12. Quantum Dot Sensitized Solar Cells Based on Ternary Metal Oxide Nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Wenyong [Univ. of Wyoming, Laramie, WY (United States); Tang, Jinke [Univ. of Wyoming, Laramie, WY (United States); Dahnovsky, Yuri [Univ. of Wyoming, Laramie, WY (United States); Pikal, Jon M [Univ. of Wyoming, Laramie, WY (United States); Chien, TeYu [Univ. of Wyoming, Laramie, WY (United States)

    2017-11-03

    In Phase I of this project we investigate quantum dot sensitized solar cells (QDSSCs) based on ternary metal oxide nanowires and study the physical and chemical mechanisms that govern device operation. Our research has the following five objectives: (1) synthesis of ternary metal oxide nanowires, (2) synthesis of QDs and exploration of non-solution based QD deposition methods, (3) physical and electro-optical characterizations of fabricated solar devices, (4) device modeling and first-principle theoretical study of transport physics, and (5) investigation of long-term stability issues of QD sensitized solar cells. In Phase II of this project our first major research goal is to investigate magnetically doped quantum dots and related spin polarization effect, which could improve light absorption and suppress electron relaxation in the QDs. We will utilize both physical and chemical methods to synthesize these doped QDs. We will also study magnetically modified nanowires and introduce spin-polarized transport into QDSSCs, and inspect its impact on forward electron injection and back electron transfer processes. Our second goal is to study novel solid-state electrolytes for QDSSCs. Specifically, we will inspect a new type of polymer electrolytes based on a modified polysulfide redox couple, and examine the effect of their electrical properties on QDSSC performance. These solid-state electrolytes could also be used as filler materials for in situ sample fracturing in STM and enable cross-sectional interface examination of QD/nanowire structures. Our third research goal is to examine the interfacial properties such as energy level alignment at QD/nanowire interfaces using the newly developed Cross-sectional Scanning Tunneling Microscopy and Spectroscopy technique for non-cleavable materials. This technique allows a direct probing of band structures and alignment at device interfaces, which could generate important insight into the mechanisms that govern QDSSC operation

  13. Formation, Characteristics and Electrocatalytic Properties of Nanoporous Metals Formed by Dealloying of Ternary-Noble Alloys

    Science.gov (United States)

    Vega Zuniga, Adrian A.

    Nanoporous metals formed by electrochemical dealloying of silver from Ag-Au-Pt alloys, with 77 at.% silver and platinum contents of 1, 2 and 3 at.%, have been studied. The presence of platinum, which is immobile relative to gold, refine the ligament size and stabilized the nanostructure against coarsening, even under experimental conditions that would be expected to promote coarsening (e.g., exposure to high temperature, longer dealloying times). By adding only 1 at.% Pt to the alloy precursor, the ligament/pore size was reduced by 50% with respect to that in nanoporous gold (NPG), which was formed on a Ag-Au alloy with the same silver content as ternary alloys. A further decrease in the ligament size was observed by increasing the platinum content of the precursor; however, most of the improvement occurred with 1 at.% Pt. The adsorbate-induced surface segregation of platinum was also investigated for these nanoporous metals. By exposing freshly-dealloyed nanostructures to moderate temperatures in the presence of air, platinum segregated to the ligament surface; in contrast, in an inert atmosphere (Ar-H 2), platinum mostly reverted to the bulk of the ligaments. This thermally activated process was thermodynamically driven by the interaction between platinum and oxygen; however, at the desorption temperature of oxygen, platinum de-segregated from the surface. Moreover, the co-segregation of platinum and oxygen hindered the thermal coarsening of the ligaments. Finally, the electrocatalytic abilities of these nanostructures were studied towards methanol and ethanol electro-oxidation, in alkaline and acidic media, showing significantly improved response in comparison to that observed in NPG. The synergistic effect between gold and platinum atoms and the smaller feature size of the nanostructures were directly associated with this behaviour. In alkaline electrolyte, the nanostructure formed on the alloy with 1 at.% Pt showed higher catalytic response than the other two

  14. Alloys for hydrogen storage in nickel/hydrogen and nickel/metal hydride batteries

    Science.gov (United States)

    Anani, Anaba; Visintin, Arnaldo; Petrov, Konstantin; Srinivasan, Supramaniam; Reilly, James J.; Johnson, John R.; Schwarz, Ricardo B.; Desch, Paul B.

    1993-01-01

    Since 1990, there has been an ongoing collaboration among the authors in the three laboratories to (1) prepare alloys of the AB(sub 5) and AB(sub 2) types, using arc-melting/annealing and mechanical alloying/annealing techniques; (2) examine their physico-chemical characteristics (morphology, composition); (3) determine the hydrogen absorption/desorption behavior (pressure-composition isotherms as a function of temperature); and (4) evaluate their performance characteristics as hydride electrodes (charge/discharge, capacity retention, cycle life, high rate capability). The work carried out on representative AB(sub 5) and AB(sub 2) type modified alloys (by partial substitution or with small additives of other elements) is presented. The purpose of the modification was to optimize the thermodynamics and kinetics of the hydriding/dehydriding reactions and enhance the stabilities of the alloys for the desired battery applications. The results of our collaboration, to date, demonstrate that (1) alloys prepared by arc melting/annealing and mechanical alloying/annealing techniques exhibit similar morphology, composition and hydriding/dehydriding characteristics; (2) alloys with the appropriate small amounts of substituent or additive elements: (1) retain the single phase structure, (2) improve the hydriding/dehydriding reactions for the battery applications, and (3) enhance the stability in the battery environment; and (3) the AB(sub 2) type alloys exhibit higher energy densities than the AB(sub 5) type alloys but the state-of-the-art, commercialized batteries are predominantly manufactured using Ab(sub 5) type alloys.

  15. Investigation of the thermodynamics governing metal hydride synthesis in the molten state process

    International Nuclear Information System (INIS)

    Stowe, Ashley C.; Berseth, Polly A.; Farrell, Thomas P.; Laughlin, Laura; Anton, Donald; Zidan, Ragaiy

    2008-01-01

    This work is aimed at utilizing a new synthetic technique to form novel complex hydrides for hydrogen storage. This technique is based on fusing different complex hydrides at elevated temperatures and pressures to form new species with improved hydrogen storage properties. Under conditions of elevated hydrogen overpressures and temperatures the starting materials can reach melting or near-melting point without decomposing (molten state processing), allowing for enhanced diffusion and exchange of elements among the starting materials. The formation and stabilization of these compounds, using the molten state process, is driven by the thermodynamic and kinetic properties of the starting and resulting compounds. Complex hydrides (e.g. NaK 2 AlH 6 , Mg(AlH 4 ) 2 ) were formed, structurally characterized and their hydrogen desorption properties were tested. In this paper we report on investigations of the thermodynamic aspects governing the process and products. We also report on the role of molar ratio in determining the final products. The effectiveness of the molten state process is compared with chemomechanical synthetic methods (ball milling)

  16. Asymmetric supercapacitors with metal-like ternary selenides and porous graphene electrodes

    KAUST Repository

    Xia, Chuan; Jiang, Qiu; Zhao, Chao; Beaujuge, Pierre; Alshareef, Husam N.

    2016-01-01

    nanostructured ternary nickel cobalt selenides result in a much higher areal capacitance (2.33 F cm−2 at 4 mA cm−2), better rate performance and cycling stability than their binary selenide equivalents, and other ternary oxides and chalcogenides. Those hybrid

  17. How to Analyse Metal Hydride Decomposition Temperatures Using a Sieverts’ Type Hydriding-Dehydriding Apparatus and Hydrogen-Storage Characteristics for an MgH2–Based Alloy

    Directory of Open Access Journals (Sweden)

    Young Jun KWAK

    2018-02-01

    Full Text Available In this work, a method to analyze metal hydride decomposition temperatures (the onset temperature of the metal hydride decomposition and the temperature for the maximum ratio of released gas quantity change with temperature change, of prepared samples were investigated using a Sieverts’ type hydriding-dehydriding apparatus, in which a back-pressure regulator was employed. The quantity of the gas released under 1.0 bar H2 was measured as the temperature was increased with a heating rate of 4 K/min. The variation in the ratio of released hydrogen quantity Hd change with temperature T change, dHd/dT, as a function of temperature was obtained and from the variation in dHd/dT with T, the metal hydride decomposition temperatures were analyzed. This analysis method can be used instead of thermal analysis methods such as thermogravimetric analysis (TGA, differential scanning calorimetry (DSC analysis, differential thermal analysis (DTA, and thermal desorption spectroscopy (TDS analysis. For this analysis, a sample with a composition of 89 wt.% MgH2 + 4.9 wt.% Ni + 1.7 wt.% Zn(BH42 + 1.0 wt% NaCl + 1.7 wt.% Ti + 1.7 wt % Fe (named MgH2-Ni-Zn(BH42-NaCl-Ti-Fe sample was prepared by planetary ball milling. In the prepared MgH2-Ni-Zn(BH42-NaCl-Ti-Fe sample, it is believed that MgH2 begins to decompose at about 575 K and dHd/dT reaches its peak at about 610 K.DOI: http://dx.doi.org/10.5755/j01.ms.24.1.17664

  18. Effect of variable thermal conductivity and specific heat capacity on the calculation of the critical metal hydride thickness for Ti1.1CrMn

    DEFF Research Database (Denmark)

    Mazzucco, Andrea; Rokni, Masoud

    2014-01-01

    model is applied to the metal hydride system, with Ti 1.1 CrMn as the absorbing alloy, to predict the weight fraction of absorbed hydrogen and solid bed temperat ure . Dependencies of thermal conductivity and specific heat capacity upon pressure and hydrogen content respectively , are accounted for...

  19. Electrochemical characterization of melt spun AB{sub 5} alloys for metal hydride batteries

    Energy Technology Data Exchange (ETDEWEB)

    Brateng, Randi

    2003-05-01

    This thesis is part of a larger research project where two metal hydride forming AB{sub 5} type alloys have been investigated. A slightly non-stoichiometric alloy with mischmetal on A-site and nickel, cobalt, manganese and aluminium on B-site has been characterized. The composition of this material, which will be referred to as Mm(NiCoMnA1){sub 5.15}, is close to the normal battery composition. The other alloy characterized is LaNi{sub 5} based, where nickel is partly substituted with tin. This material will later be referred to as La(NiSn){sub 5}. These materials were produced by melt spinning to vary the cooling rate during solidification. The main purpose of the study has been to characterize the electrochemical properties related to battery performance. The production as well as the metallurgical and structural characterization of the materials were performed in another part of the project. For Mm(NiCoMnA1){sub 5.15} the unit cell volume was dependent on the cooling rate before heat treatment, while the unit cell volume was almost independent of the cooling rate for La(NiSn){sub 5}. For both alloy compositions, the electrochemical properties seemed to change with varying cooling rate. The desorption equilibrium potential, the discharge capacity when discharging at a low current and the deterioration rate were found to be reduced with decreasing unit cell volume and increased with increasing unit cell volume, before heat treatment of Mm(NiCoMnA1){sub 5.15}. The self discharge rate was observed to be inversely proportional to the unit cell volume for this material. For not heat treated La(NiSn){sub 5}, produced at different cooling rates, the desorption equilibrium potential decreased when the self discharge rate and the discharge capacity increased after cycling for 300 cycles. The deterioration rate decreased when the desorption equilibrium potential was reduced for La(NiSn){sub 5}. The electrochemical parameters both before and after heat treatment of La

  20. Study of mixed ternary transition metal ferrites as potential electrodes for supercapacitor applications

    Science.gov (United States)

    Bhujun, Bhamini; Tan, Michelle T. T.; Shanmugam, Anandan S.

    Nanocrystallites of three mixed ternary transition metal ferrite (MTTMF) were prepared by a facile sol-gel method and adopted as electrode material for supercapacitors. The phase development of the samples was determined using Fourier transform infrared (FT-IR) and thermal gravimetric analysis (TG). X-ray diffraction (XRD) analysis revealed the formation of a single-phase spinel ferrite in CuCoFe2O4 (CuCoF), NiCoFe2O4 (NiCoF) and NiCuFe2O4 (NiCuF). The surface characteristics and elemental composition of the nanocomposites have been studied by means of field emission scanning electron microscopy (FESEM), as well as energy dispersive spectroscopy (EDS). The electrochemical performance of the nanomaterials was evaluated using a two-electrode configuration by cyclic voltammetry, electrochemical impedance spectroscopy and galvanostatic technique in 1 M KOH electrolyte and was found to be in the order of: CuCoF > NiCoF > NiCuF. A maximum specific capacitance of 221 Fg-1 was obtained with CuCoF at a scan rate of 5 mV s-1. In addition to an excellent cycling stability, an energy density of 7.9 kW kg-1 was obtained at a current density of 1 Ag-1. The high electrochemical performance of the MTTMF nanocomposites obtained indicates that these materials are promising electrodes for supercapacitors.

  1. Interatomic potential to predict the favored and optimized compositions for ternary Cu-Zr-Hf metallic glasses

    International Nuclear Information System (INIS)

    Luo, S. Y.; Cui, Y. Y.; Dai, Y.; Li, J. H.; Liu, B. X.

    2012-01-01

    Under the framework of smoothed and long range second-moment approximation of tight-binding, a realistic interatomic potential was first constructed for the Cu-Zr-Hf ternary metal system. Applying the constructed potential, Monte Carlo simulations were carried out to compare the relative stability of crystalline solid solution versus its disordered counterpart over the entire composition triangle of the system (as a function of alloy composition). Simulations not only reveal that the origin of metallic glass formation but also determine, in the composition triangle, a quadrilateral region, within which metallic glass formation is energetically favored. It is proposed to define the energy differences between the crystalline solid solutions and disordered states as the driving force for amorphization and the corresponding calculations pinpoint an optimized composition locating at an composition of Cu 55 Zr 10 Hf 35 , around which the driving force for metallic glass formation reaches its maximum, suggesting that the ternary Cu-Zr-Hf metallic glasses designed to have the compositions around Cu 55 Zr 10 Hf 35 could be more stable than other alloys in the system. Moreover, for the Cu 55 Zr 10 Hf 35 metallic glass, the Voronoi tessellation calculations reveal some interesting features of its atomic configurations and coordination polyhedra distribution.

  2. Analysis of Hazards Associated with a Process Involving Uranium Metal and Uranium Hydride Powders

    Energy Technology Data Exchange (ETDEWEB)

    Bullock, J.S.

    2000-05-01

    An analysis of the reaction chemistry and operational factors associated with processing uranium and uranium hydride powders is presented, focusing on a specific operation in the Development Division which was subjected to the Job Hazard Analysis (JHA) process. Primary emphasis is on the thermodynamic factors leading to pyrophoricity in common atmospheres. The discussion covers feed powders, cold-pressed and hot-pressed materials, and stray material resulting from the operations. The sensitivity of the various forms of material to pyrophoricity in common atmospheres is discussed. Operational recommendations for performing the work described are given.

  3. Metal hydride electrode and nickel hydrogen storage battery; Suiso kyuzo gokin denkyoku oyobi nikkeru-suiso chikudenchi

    Energy Technology Data Exchange (ETDEWEB)

    Kobayashi, Y.; Tamagawa, H. [Shin-Kobe Electric Machinery Co. Ltd., Tokyo (Japan); Ikawa, A.; Muranaka, R. [Hitachi Ltd., Ibaraki (Japan). Hitachi Research Lab.

    1996-04-16

    Water soluble polymers such as cellulose derivatives and polyvinylalcohol have been used conventionally as binders for metal hydride electrode used for nickel-hydrogen storage batteries. The shortcomings of those binders, however, are low flexibility, and poor binding property for hydrogen absorbing alloy powder and the conductive supporting substrate. This invention relates to the use of ethylene-vinyl copolymer with less than -10{degree}C Tg as the binder for hydrogen absorbing alloy powder. It is desirable that the ethylene-vinylacetate copolymer is selected out of ethylene-vinyl acetate-acryl copolymer and ethylene-vinyl acetate-long chain vinyl ester copolymer, and that the addition is larger than 0.1wt% and less than 1wt% against the weight of hydrogen absorbing alloy in the electrode. The use of this binder results in strong binding of hydrogen absorbing alloy powder to the conductive supporting substrate, providing flexibility as well. 4 figs., 5 tabs.

  4. Discharge capacity and microstructures of La Mg Pr Al Mn Co Ni alloys for nickel-metal hydride batteries

    International Nuclear Information System (INIS)

    Casini, J.C.S.; Galdino, G.S.; Ferreira, E.A.; Takiishi, H.; Faria, R.N.

    2010-01-01

    La 0.7-x Mg x Pr 0.3 Al 0.3 Mn 0.4 Co 0.5 Ni 3.8 (x = 0.0, 0.3 and 0.7) alloys have been investigated aiming the production of negative electrodes for nickel-metal hydride batteries. The alloys employed in this work were used in the as cast state. The results showed that the substitution of magnesium by lanthanum increased the discharge capacity of the Ni-MH batteries. A battery produced with the La 0.4 Mg 0.3 Pr 0.3 Al 0.3 Mn 0.4 Co 0.5 Ni 3.8 alloy shown a high discharge capacity (380mAh/g) also good stability compared to other alloys. The electrode materials were characterized using scanning electron microscopy (SEM) and X-ray diffraction (XRD). (author)

  5. Atomistic approach to predict the glass-forming ability in Zr–Cu–Al ternary metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Yu, C.Y. [Center for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, College of Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong (China); Liu, X.J. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Zheng, G.P. [Department of Mechanical Engineering, The Hong Kong Polytechnic University, Kowloon, Hong Kong (China); Niu, X.R. [Center for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, College of Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong (China); Liu, C.T., E-mail: chainliu@cityu.edu.hk [Center for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, College of Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong (China)

    2015-04-05

    Highlights: • An atomistic approach has been developed to predict the glass forming ability (GFA) in Zr–Cu–Al ternary alloy system. • Both of the thermodynamic and structure-dependent kinetic effects to glass formation have been taken into account. • The first-principles calculation and molecular dynamics simulation have been performed. • The approach predicts the best glass former in the model Zr–Cu–Al alloy system. • The predicted GFA is consistent with various experimental results. - Abstract: Prediction of composition-dependent glass-forming ability (GFA) remains to be a key scientific challenge in the metallic-glass community, especially in multi-component alloy systems. In the present study, we apply an atomistic approach to predict the trend of GFA effectively in the Zr–Cu–Al ternary alloy system from alloy compositions alone. This approach is derived from the first-principles calculations based on the density-functional theory and molecular dynamic (MD) simulations. By considering of both the thermodynamic and atomic-structure induced kinetic effects, the predicted GFA trend from this approach shows an excellent agreement with experimental data available in this alloy system, manifesting its capability of seeking metallic glasses with superior GFA in ternary alloy systems.

  6. Ternary mixed metal Fe-doped NiCo2O4 nanowires as efficient electrocatalysts for oxygen evolution reaction

    Science.gov (United States)

    Yan, Kai-Li; Shang, Xiao; Li, Zhen; Dong, Bin; Li, Xiao; Gao, Wen-Kun; Chi, Jing-Qi; Chai, Yong-Ming; Liu, Chen-Guang

    2017-09-01

    Designing mixed metal oxides with unique nanostructures as efficient electrocatalysts for water electrolysis has been an attractive approach for the storage of renewable energies. The ternary mixed metal spinel oxides FexNi1-xCo2O4 (x = 0, 0.1, 0.25, 0.5, 0.75, 0.9, 1) have been synthesized by a facile hydrothermal approach and calcination treatment using nickel foam as substrate. Fe/Ni ratios have been proved to affect the nanostructures of FexNi1-xCo2O, which imply different intrinsic activity for oxygen evolution reaction (OER). SEM images show that Fe0.5Ni0.5Co2O4 has the uniform nanowires morphology with about 30 nm of the diameter and 200-300 nm of the length. The OER measurements show that Fe0.5Ni0.5Co2O4 exhibits the better electrocatalytic performances with lower overpotential of 350 mV at J = 10 mA cm-2. In addition, the smaller Tafel slope of 27 mV dec-1 than other samples with different Fe/Ni ratios for Fe0.5Ni0.5Co2O4 is obtained. The improved OER activity of Fe0.5Ni0.5Co2O4 may be attributed to the synergistic effects from ternary mixed metals especially Fe-doping and the uniform nanowires supported on NF. Therefore, synthesizing Fe-doped multi-metal oxides with novel nanostructures may be a promising strategy for excellent OER electrocatalysts and it also provides a facile way for the fabrication of high-activity ternary mixed metal oxides electrocatalysts.

  7. Some reduced ternary and quaternary oxides of molybdenum. A family of compounds with strong metal-metal bonds

    International Nuclear Information System (INIS)

    Torardi, C.C.; McCarley, R.E.

    1981-01-01

    Several new, reduced ternary and quaternary oxides of molybdenum are reported, each containing molybdenum in an average oxidation state 2 sealed in Mo tubes held at 1100 0 C for ca. 7 days. Refinement of the substructure of the new compound Ba 0 62 Mo 4 O 6 was based on an orthorhombic cells, with a = 9.509(2), b = 9.825(2), c = 2.853(1) A, Z = 2 in space group Pbam; weak supercell reflections indicate the true structure has c = 8(2.853) A. The chief structural feature is closely related to that of NaMo 4 O 6 which consists of infinite chains of Mo 6 octahedral clusters fused on opposite edges, bridged on the outer edges by O atoms and crosslinked by Mo-O-Mo bonding to create four-sided tunnels in which the Ba 2+ ions are located. The structure of Ba 1 13 Mo 8 O 16 is triclinic, a = 7.311(1), b = 7.453(1), c = 5.726(1) A, α = 101.49(2), β = 99.60(2), γ = 89.31(2) 0 , Z = 1, space group P1. It is a low-symmetry, metal-metal bonded variant of the hollandite structure, in which two different infinite chains, built up from Mo 4 O 8 2- and Mo 4 O 8 0 26- cluster units, respectively, are interlinked via Mo-O-Mo bridge bonding to create again four-sided tunnels in which the Ba 2+ ions reside. Other compounds prepared and characterized by analyses and x-ray powder diffraction data are Pb/sub x/Mo 4 O 6 (x approx. 0.6), LiZn 2 Mo 3 O 8 , , CaMo 5 O 8 , K 2 Mo 12 O 19 , and Na 2 Mo 12 O 19

  8. Hydrogen Outgassing from Lithium Hydride

    Energy Technology Data Exchange (ETDEWEB)

    Dinh, L N; Schildbach, M A; Smith, R A; Balazs1, B; McLean II, W

    2006-04-20

    Lithium hydride is a nuclear material with a great affinity for moisture. As a result of exposure to water vapor during machining, transportation, storage and assembly, a corrosion layer (oxide and/or hydroxide) always forms on the surface of lithium hydride resulting in the release of hydrogen gas. Thermodynamically, lithium hydride, lithium oxide and lithium hydroxide are all stable. However, lithium hydroxides formed near the lithium hydride substrate (interface hydroxide) and near the sample/vacuum interface (surface hydroxide) are much less thermally stable than their bulk counterpart. In a dry environment, the interface/surface hydroxides slowly degenerate over many years/decades at room temperature into lithium oxide, releasing water vapor and ultimately hydrogen gas through reaction of the water vapor with the lithium hydride substrate. This outgassing can potentially cause metal hydriding and/or compatibility issues elsewhere in the device. In this chapter, the morphology and the chemistry of the corrosion layer grown on lithium hydride (and in some cases, its isotopic cousin, lithium deuteride) as a result of exposure to moisture are investigated. The hydrogen outgassing processes associated with the formation and subsequent degeneration of this corrosion layer are described. Experimental techniques to measure the hydrogen outgassing kinetics from lithium hydride and methods employing the measured kinetics to predict hydrogen outgassing as a function of time and temperature are presented. Finally, practical procedures to mitigate the problem of hydrogen outgassing from lithium hydride are discussed.

  9. Low temperature hydrogenolysis of waxes to diesel range gasoline and light alkanes: Comparison of catalytic properties of group 4, 5 and 6 metal hydrides supported on silica-alumina

    KAUST Repository

    Norsic, Sébastien

    2012-01-01

    A series of metal hydrides (M = Zr, Hf, Ta, W) supported on silica-alumina were studied for the first time in hydrogenolysis of light alkanes in a continuous flow reactor. It was found that there is a difference in the reaction mechanism between d 0 metal hydrides of group 4 and d 0 ↔ d 2 metal hydrides of group 5 and group 6. Furthermore, the potential application of these catalysts has been demonstrated by the transformation of Fischer-Tropsch wax in a reactive distillation set-up into typical gasoline and diesel molecules in high selectivity (up to 86 wt%). Current results show that the group 4 metal hydrides have a promising yield toward liquid fuels.

  10. Competitive immobilization of Pb in an aqueous ternary-metals system by soluble phosphates with varying pH.

    Science.gov (United States)

    Zhang, Zhuo; Ren, Jie; Wang, Mei; Song, Xinlai; Zhang, Chao; Chen, Jiayu; Li, Fasheng; Guo, Guanlin

    2016-09-01

    Chemical immobilization by phosphates has been widely and successfully applied to treat Pb in wastewater and contaminated soils. Pb in wastewaters and soils, however, always coexists with other heavy metals and their competitive reactions with phosphates have not been quantitatively and systematically studied. In this approach, immobilization of Pb, Zn, and Cd by mono-, di-, and tripotassium phosphate (KH2PO4, K2HPO4, and K3PO4) was observed in the single- and ternary-metals solutions. The immobilization rates of the three metals were determined by the residual concentration. The mineral composition and structure of the precipitates were characterized by powder X-ray diffraction (XRD) analysis and scanning electron microscopy (SEM). The results indicated that competitive reaction occurred in Pb-Zn-Cd ternary system, with immobilization rates decrease of system. The reaction of Pb with three phosphates exhibited intense competitiveness and the phosphates had a stronger affinity for Pb when Cl(-) was added. Pb-phosphate minerals formed by KH2PO4 with the better crystalline characteristics and largest size were very stable with a low dissolution rate (system. Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. Final Report: DE- FC36-05GO15063, Fundamental Studies of Advanced High-Capacity, Reversible Metal Hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, Craig [Univ. of Hawaii, Honolulu, HI (United States); McGrady, Sean [Univ. of New Brunswick, Fredericton NB (Canada); Severa, Godwin [Univ. of Hawaii, Honolulu, HI (United States); Eliseo, Jennifer [Univ. of Hawaii, Honolulu, HI (United States); Chong, Marina [Univ. of Hawaii, Honolulu, HI (United States)

    2013-05-31

    The project was component of the US DOE, Metal Hydride Center of Excellence (MHCoE). The Sandia National Laboratory led center was established to conduct highly collaborative and multi-disciplinary applied R&D to develop new reversible hydrogen storage materials that meet or exceed DOE/FreedomCAR 2010 and 2015 system targets for hydrogen storage materials. Our approach entailed a wide variety of activities ranging from synthesis, characterization, and evaluation of new candidate hydrogen storage materials; screening of catalysts for high capacity materials requiring kinetics enhancement; development of low temperature methods for nano-confinement of hydrides and determining its effects on the kinetics and thermodynamics of hydrides; and development of novel processes for the direct re-hydrogenation of materials. These efforts have resulted in several advancements the development of hydrogen storage materials. We have greatly extended the fundamental knowledge about the highly promising hydrogen storage carrier, alane (AlH3), by carrying out the first crystal structure determinations and the first determination of the heats of dehydrogenation of β–AlH3 and γ-AlD3. A low-temperature homogenous organometallic approach to incorporation of Al and Mg based hydrides into carbon aerogels has been developed that that allows high loadings without degradation of the nano-porous scaffold. Nano-confinement was found to significantly improve the dehydrogenation kinetics but not effect the enthalpy of dehydrogenation. We conceived, characterized, and synthesized a novel class of potential hydrogen storage materials, bimetallic borohydrides. These novel compounds were found to have many favorable properties including release of significant amounts of hydrogen at moderate temperatures (75-190 º C). However, in situ IR studies in tandem with thermal gravimetric analysis have shown that about 0.5 equivalents of diborane are released during the

  12. Influence of Climatic Factors on the Efficiency of Disposal Metal- Hydride Unit for the Double-Fuel Low-Speed Internal Combustion Engine of Gas Tankers

    OpenAIRE

    Cherednichenko, Oleksandr Costyntunovich; Tkach, Mykhaylo Romanovich

    2017-01-01

    Contemporary tendencies in the development of ship power engineering have been analyzed. Consideration was given to the specific features of the transportation of liquefied natural gas by gas tankers. The prospects of utilization of the secondary energy resources of marine double-fuel low-speed diesel engines were defined. The metal hydride units of a continuous action were offered for this purpose. The need for the estimation of the influence of climatic factors on the efficiency of disposal...

  13. Achievement report for 1st phase (fiscal 1974-80) Sunshine Program research and development - Hydrogen energy. Research on transportation of hydrogen in the form of metallic hydride; 1974-1980 nendo kinzoku suisokabutsu ni yoru suiso no yuso gijutsu no kenkyu seika hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1981-03-01

    This report concerns the transportation and storage of hydrogen using metallic hydrides that perform absorption and desorption of hydrogen. Alloys useable for this purpose have to be capable of reversibly absorbing and desorbing hydrogen within a certain temperature range. In the absence of guidelines to follow in the quest for such alloys, the efforts at discovering them turned out to be a continual series of trials and errors. Researches were conducted into the hydrogenation reaction of Mg and Mg-based alloys and into hydrides of V-based alloys, and into Zr-based alloy hydrides such as the ZrMn{sub 2} hydride, ZrNiMn hydride, Zr(Fe{sub x}Mn{sub 1-x}){sub 2} hydrides, TiZrFe{sub 2} hydride, Zr{sub x}Ti{sub 1-x}(Fe{sub y}Mn{sub 1-y}) hydrides, etc. Also studied were the electronics of hydrogen in metallic hydrides, rates of reaction between Mg-Ni-based alloys and hydrogen systems, endurance tests for hydrides of Mg-Ni-based alloys, effects exerted by absorbed gas molecules during the storage of hydrogen in Mg-Ni-based alloys, effective thermal conductivity in a layer filled with a metallic hydride, metallic hydride-aided hydrogen transportation systems, chemical boosters, etc. (NEDO)

  14. Atomistic modeling to investigate the favored composition for metallic glass formation in the Ca-Mg-Ni ternary system.

    Science.gov (United States)

    Zhao, S; Li, J H; An, S M; Li, S N; Liu, B X

    2017-05-17

    A realistic interatomic potential was first constructed for the Ca-Mg-Ni system and then applied to Monte Carlo simulations to predict the favored composition for metallic glass formation in the ternary system. The simulations not only predict a hexagonal composition region, within which the Ca-Mg-Ni metallic glass formation is energetically favored, but also pinpoint an optimized sub-region within which the amorphization driving force, i.e. the energy difference between the solid solution and disordered phase, is larger than that outside. The simulations further reveal that the physical origin of glass formation is the solid solution collapsing when the solute atom exceeds the critical solid solubility. Further structural analysis indicates that the pentagonal bi-pyramids dominate in the optimized sub-region. The large atomic size difference between Ca, Mg and Ni extends the short-range landscape and facilitates the development of a hybridized packing model in the medium-range, and eventually enhancing the glass formation in the system. The predictions are well supported by the experimental observations reported so far, and could be of help for designing the ternary glass formation.

  15. 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.

  16. Improved rapidly-quenched hydrogen-absorbing alloys for development of improved-capacity nickel metal hydride batteries

    Science.gov (United States)

    Ise, Tadashi; Hamamatsu, Takeo; Imoto, Teruhiko; Nogami, Mitsuzo; Nakahori, Shinsuke

    The effects of annealing a rapidly-quenched hydrogen-absorbing alloy with a stoichiometric ratio of 4.76 were investigated concerning its hydrogen-absorbing properties, crystal structure and electrochemical characteristics. Annealing at 1073 K homogenized the alloy microstructure and flattened its plateau slope in the P-C isotherms. However, annealing at 1273 K segregated a second phase rich in rare earth elements, increased the hydrogen-absorbing pressure and decreased the hydrogen-absorbing capacity. As the number of charge-discharge cycles increases, the particle size distribution of the rapidly-quenched alloy became broad due to partial pulverization. However, particle size distribution of the rapidly-quenched, annealed, alloy was sharp, since the annealing homogenized the microstructure, thereby improving the cycle characteristics. A high-capacity rectangular nickel metal hydride battery using a rapidly-quenched, annealed, surface-treated alloy for the negative electrode and an active material coated with cobalt compound containing sodium for the positive electrode was developed. The capacity of the resulting battery was 30% greater than that of a conventional battery.

  17. Effects of Boron-Incorporation in a V-Containing Zr-Based AB2 Metal Hydride Alloy

    Directory of Open Access Journals (Sweden)

    Shiuan Chang

    2017-11-01

    Full Text Available In this study, boron, a metalloid element commonly used in semiconductor applications, was added in a V-containing Zr-based AB2 metal hydride alloy. In general, as the boron content in the alloy increased, the high-rate dischargeability, surface exchange current, and double-layer capacitance first decreased and then increased whereas charge-transfer resistance and dot product of charge-transfer resistance and double-layer capacitance changed in the opposite direction. Electrochemical and gaseous phase characteristics of two boron-containing alloys, with the same boron content detected by the inductively coupled plasma optical emission spectrometer, showed significant variations in performances due to the difference in phase abundance of a newly formed tetragonal V3B2 phase. This new phase contributes to the increases in electrochemical high-rate dischargeability, surface exchange current, charge-transfer resistances at room, and low temperatures. However, the V3B2 phase does not contribute to the hydrogen storage capacities in either gaseous phase and electrochemical environment.

  18. Discharge capacity and microstructures of La Mg Pr Al Mn Co Ni alloys for nickel-metal hydride batteries

    Energy Technology Data Exchange (ETDEWEB)

    Casini, J.C.S.; Galdino, G.S.; Ferreira, E.A.; Takiishi, H.; Faria, R.N., E-mail: jcasini@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (DM/IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Dept. de Metalurgia

    2010-07-01

    La{sub 0.7-x}Mg{sub x}Pr{sub 0.3}Al{sub 0.3}Mn{sub 0.4}Co{sub 0.5}Ni{sub 3.8} (x = 0.0, 0.3 and 0.7) alloys have been investigated aiming the production of negative electrodes for nickel-metal hydride batteries. The alloys employed in this work were used in the as cast state. The results showed that the substitution of magnesium by lanthanum increased the discharge capacity of the Ni-MH batteries. A battery produced with the La{sub 0.4}Mg{sub 0.3}Pr{sub 0.3}Al{sub 0.3}Mn{sub 0.4}Co{sub 0.5}Ni{sub 3.8} alloy shown a high discharge capacity (380mAh/g) also good stability compared to other alloys. The electrode materials were characterized using scanning electron microscopy (SEM) and X-ray diffraction (XRD). (author)

  19. Sorption properties of nanocrystalline metal hydrides for the storage of hydrogen; Sorptionseigenschaften von nanokristallinen Metallhydriden fuer die Wasserstoffspeicherung

    Energy Technology Data Exchange (ETDEWEB)

    Oelerich, W.

    2000-07-01

    For the utilisation of hydrogen in emission-free automobiles new nanostructured Mg-based metal hydrides were developed. These materials show significantly faster absorption and desorption kinetics, which can be even further enhanced by additions of suitable catalysts. Contrary to conventional magnesium powder, hydrogenation at room temperature is demonstrated for the first time. During dehydrogenation at 250 C a desorption rate of 3 to 8 kW/kg with a capacity of 2.5 kWh/kg is achieved, that fulfills the technical requirements for automobile application. (orig.) [German] Im Hinblick auf den Einsatz von Wasserstoff in emissionsfreien Kraftfahrzeugen wurden neuartige nanostrukturierte Metallhydride auf Basis von Magnesium hergestellt. Diese Materialien zeigen eine deutlich schnellere Absorptions- und Desorptionskinetik, die sich durch den Zusatz von geeigneten Katalysatoren noch weiter steigern laesst. Im Gegensatz zu konventionellem Magnesiumpulver konnte erstmals eine Hydrierung bei Raumtemperatur demonstriert werden. Bei der Dehydrierung bei 250 C wird eine Desorptionsrate von 3 bis 8 kW/kg bei einer Kapazitaet von 2,5 kWh/kg erreicht, die die technischen Leistungsanforderungen von Kraftfahrzeugen erfuellt. (orig.)

  20. Potentiometric studies on ternary complexes involving some divalent transition metal ions, gallic acid and biologically abundant aliphatic dicarboxylic acids in aqueous solutions

    Directory of Open Access Journals (Sweden)

    Abdelatty Mohamed Radalla

    2015-06-01

    Full Text Available Formation of binary and ternary complexes of the divalent transition metal ions, Cu2+, Ni2+, Co2+ and Zn2+ with gallic acid and the biologically important aliphatic dicarboxylic acids (adipic, succinic, malic, malonic, maleic, tartaric and oxalic acids were investigated by means of the potentiometric technique at 25 °C and I = 0.10 mol dm−3 NaNO3. The acid-base properties of the ligands were investigated and discussed. The acidity constants of gallic acid and aliphatic dicarboxylic acids were determined and used for determining the stability constants of the binary and ternary complexes formed in the aqueous medium under the above experimental conditions. The formation of the different 1:1 and 1:2 binary complexes and 1:1:1 ternary complexes are inferred from the corresponding potentiometric pH-metric titration curves. The ternary complex formation was found to occur in a stepwise manner. The stability constants of these binary and ternary systems were calculated. The values of Δ log K, percentage of relative stabilization (%R.S. and log X were evaluated and discussed. The concentration distribution of the various complex species formed in solution was evaluated and discussed. The mode of chelation of ternary complexes formed was ascertained by conductivity measurements.

  1. Manufacture of titanium and zirconium hydrides

    International Nuclear Information System (INIS)

    Mares, F.; Hanslik, T.

    1973-01-01

    A method is described of manufacturing titanium and zirconium hydrides by hydrogenation of said metals characterized by the reaction temperature ranging between 250 to 500 degC, hydrogen pressure of 20 to 300 atm and possibly by the presence of a hydride of the respective metal. (V.V.)

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

    Directory of Open Access Journals (Sweden)

    Son-Jong Hwang

    2011-12-01

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

  3. Alkali Metal Cation Affinities of Anionic Main Group-Element Hydrides Across the Periodic Table

    NARCIS (Netherlands)

    Boughlala, Zakaria; Fonseca Guerra, Célia; Bickelhaupt, F. Matthias

    2017-01-01

    We have carried out an extensive exploration of gas-phase alkali metal cation affinities (AMCA) of archetypal anionic bases across the periodic system using relativistic density functional theory at ZORA-BP86/QZ4P//ZORA-BP86/TZ2P. AMCA values of all bases were computed for the lithium, sodium,

  4. Composition design of Ti–Cr–Mn–Fe alloys for hybrid high-pressure metal hydride tanks

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Zhijie [School of Materials Science and Engineering, Key Laboratory of Advanced Energy Storage Materials of Guangdong Province, South China University of Technology, Guangzhou 510641 (China); China-Australia Joint Laboratory for Energy & Environmental Materials, South China University of Technology, Guangzhou 510641 (China); Ouyang, Liuzhang, E-mail: meouyang@scut.edu.cn [School of Materials Science and Engineering, Key Laboratory of Advanced Energy Storage Materials of Guangdong Province, South China University of Technology, Guangzhou 510641 (China); China-Australia Joint Laboratory for Energy & Environmental Materials, South China University of Technology, Guangzhou 510641 (China); Key Laboratory for Fuel Cell Technology in Guangdong Province, Guangzhou 510641 (China); Wang, Hui; Liu, Jiangwen [School of Materials Science and Engineering, Key Laboratory of Advanced Energy Storage Materials of Guangdong Province, South China University of Technology, Guangzhou 510641 (China); China-Australia Joint Laboratory for Energy & Environmental Materials, South China University of Technology, Guangzhou 510641 (China); Sun, Lixian [Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials, Guilin 541004 (China); Zhu, Min, E-mail: memzhu@scut.edu.cn [School of Materials Science and Engineering, Key Laboratory of Advanced Energy Storage Materials of Guangdong Province, South China University of Technology, Guangzhou 510641 (China); China-Australia Joint Laboratory for Energy & Environmental Materials, South China University of Technology, Guangzhou 510641 (China)

    2015-08-05

    Highlights: • New non-stoichiometric Ti–Cr–Mn–Fe alloys are prepared for the hybrid tank. • (Ti{sub 0.85}Zr{sub 0.15}){sub 1.1}Cr{sub 0.925}MnFe{sub 0.075} has the best overall properties. • The desorption pressure at 0 °C is 10.6 atm. • The reversible gravimetric density remains as a high value of 1.49 wt%. - Abstract: (Ti{sub 0.85}Zr{sub 0.15}){sub 1.1}Cr{sub 1−x}MnFe{sub x} (x = 0, 0.05, 0.075, 0.1, 0.15) alloys with a C14-type Laves structure have been investigated for potential application in hybrid high-pressure metal hydride tanks used for fuel cell vehicles. The effects of the partial substitution of Cr with Fe on the hydrogen storage properties of (Ti{sub 0.85}Zr{sub 0.15}){sub 1.1}CrMn have been systematically investigated. Results show that the desorption plateau pressure increases with increasing the Fe content in (Ti{sub 0.85}Zr{sub 0.15}){sub 1.1}Cr{sub 1−x}MnFe{sub x} alloys, whereas the hydrogen capacity decreases. Among these alloys, (Ti{sub 0.85}Zr{sub 0.15}){sub 1.1}Cr{sub 0.925}MnFe{sub 0.075} has the best overall properties, with a hydrogen desorption pressure of 10.6 atm and a reversible capacity of 1.54 wt% at 0 °C under the pressure range between 0.1 atm and 120 atm.

  5. Composition design of Ti–Cr–Mn–Fe alloys for hybrid high-pressure metal hydride tanks

    International Nuclear Information System (INIS)

    Cao, Zhijie; Ouyang, Liuzhang; Wang, Hui; Liu, Jiangwen; Sun, Lixian; Zhu, Min

    2015-01-01

    Highlights: • New non-stoichiometric Ti–Cr–Mn–Fe alloys are prepared for the hybrid tank. • (Ti 0.85 Zr 0.15 ) 1.1 Cr 0.925 MnFe 0.075 has the best overall properties. • The desorption pressure at 0 °C is 10.6 atm. • The reversible gravimetric density remains as a high value of 1.49 wt%. - Abstract: (Ti 0.85 Zr 0.15 ) 1.1 Cr 1−x MnFe x (x = 0, 0.05, 0.075, 0.1, 0.15) alloys with a C14-type Laves structure have been investigated for potential application in hybrid high-pressure metal hydride tanks used for fuel cell vehicles. The effects of the partial substitution of Cr with Fe on the hydrogen storage properties of (Ti 0.85 Zr 0.15 ) 1.1 CrMn have been systematically investigated. Results show that the desorption plateau pressure increases with increasing the Fe content in (Ti 0.85 Zr 0.15 ) 1.1 Cr 1−x MnFe x alloys, whereas the hydrogen capacity decreases. Among these alloys, (Ti 0.85 Zr 0.15 ) 1.1 Cr 0.925 MnFe 0.075 has the best overall properties, with a hydrogen desorption pressure of 10.6 atm and a reversible capacity of 1.54 wt% at 0 °C under the pressure range between 0.1 atm and 120 atm

  6. Superconductivity in ternary rare earth transition metal silicides and germanides with the Sc5Co4Si10-type structure

    International Nuclear Information System (INIS)

    Berg, L.S.

    1986-01-01

    A systematic study of the superconducting and normal state properties of some ternary rare earth transition metal silicides and germanides of the Sc 5 Co 4 Si 10 0-type is reported. Low temperature heat capacity measurements indicate the presence of a complicated phonon density of states in these structurally complex compounds. A better description of the phonon spectrum of the high T/sub c/ materials Sc 5 Rh 4 Si 10 , Sc 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10 , given by a model proposed by Junod et al., is presented and discussed. The large values of ΔC/γ/sub n/T/sub c/ and the electron-phonon coupling constant for these high T/sub c/ compounds indicate that they are strong-coupled superconductors. Relative to other ternary superconductors, many of these materials have large Debye temperatures. DC electrical resistivity measurements on these compounds show resistivity behavior deviating from those exhibited by simple metals. The rho(T) data for Y 5 Ir 4 Si 10 , Lu 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10 , indicate the presence of anomalies. Static molar magnetic susceptibility measurements performed on these compounds indicate (1) a small effective magnetic moment of 0.26μ/sub B/ on the Co atom and (2) anomalous behaviors in the Lu 5 Rh 4 Si 10 , Lu 5 Ir 4 Si 10 , Y 5 Ir 4 Si 10 , Lu 5 Ir 4 Ge 10 , and Y 5 Rh 4 Ge 10 data. Lastly, upper critical magnetic field measurements were performed on Sc 5 Co 4 Si 10 , Sc 5 Rh 4 Si 10 , Sc 5 Ir 4 Si 10 , Lu 5 Rh 4 Si 10 , Lu 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10

  7. Use of reversible hydrides for hydrogen storage

    Science.gov (United States)

    Darriet, B.; Pezat, M.; Hagenmuller, P.

    1980-01-01

    The addition of metals or alloys whose hydrides have a high dissociation pressure allows a considerable increase in the hydrogenation rate of magnesium. The influence of temperature and hydrogen pressure on the reaction rate were studied. Results concerning the hydriding of magnesium rich alloys such as Mg2Ca, La2Mg17 and CeMg12 are presented. The hydriding mechanism of La2Mg17 and CeMg12 alloys is given.

  8. Hydrometallurgical separation of rare earth elements, cobalt and nickel from spent nickel-metal-hydride batteries

    Science.gov (United States)

    Rodrigues, Luiz Eduardo Oliveira Carmo; Mansur, Marcelo Borges

    The separation of rare earth elements, cobalt and nickel from NiMH battery residues is evaluated in this paper. Analysis of the internal content of the NiMH batteries shows that nickel is the main metal present in the residue (around 50% in weight), as well as potassium (2.2-10.9%), cobalt (5.1-5.5%), rare earth elements (15.3-29.0%) and cadmium (2.8%). The presence of cadmium reveals that some Ni-Cd batteries are possibly labeled as NiMH ones. The leaching of nickel and cobalt from the NiMH battery powder with sulfuric acid is efficient; operating variables temperature and concentration of H 2O 2 has no significant effect for the conditions studied. A mixture of rare earth elements is separated by precipitation with NaOH. Finally, solvent extraction with D2EHPA (di-2-ethylhexyl phosphoric acid) followed by Cyanex 272 (bis-2,4,4-trimethylpentyl phosphinic acid) can separate cadmium, cobalt and nickel from the leach liquor. The effect of the main operating variables of both leaching and solvent extraction steps are discussed aiming to maximize metal separation for recycling purposes.

  9. Development of Cu-Hf-Al ternary systems and tungsten wire/particle reinforced Cu48Hf43Al9 bulk metallic glass composites for strengthening

    International Nuclear Information System (INIS)

    Park, Joyoung; An, Jihye; Choi-Yim, Haein

    2010-01-01

    Stable bulk glass forming alloys can be developed over a wide range of compositions in Cu-Hf-Al ternary systems starting from the Cu 49 Hf 42 Al 9 bulk metallic glass. Ternary Cu-Hf-Al alloys can be cast directly from the melt into copper molds to form fully amorphous strips with thicknesses of 1 to 6 mm. The maximum critical diameter of the new Cu-Hf-Al ternary alloy was 6 mm. X-ray diffraction patterns were used to confirm the amorphous nature of the ternary Cu-Hf-Al alloys. To increase the toughness of these metallic glasses, we reinforced the Cu 48 Hf 43 Al 9 bulk metallic glass-forming liquid with a 50% volume fraction of tungsten particles and an 80% volume fraction of tungsten wires with diameters of 242.4 μm. Composites with a critical diameter of 7 mm and length 70 mm were synthesized. The structure of the composites was confirmed by using X-ray diffraction (XRD), and the scanning electron microscopy (SEM). The mechanical properties of the composites were studied in compression tests. The thermal stability and the crystallization processes of the Cu-Hf-Al alloys and composites were investigated by using differential scanning calorimetry (DSC). Values of the glass transition temperature (T g ), the crystallization temperature (T x ), and the supercooled liquid region (ΔT = T x - T g ) are given in this paper.

  10. First-principles study on half-metallic ferromagnetic properties of Zn1- x V x Se ternary alloys

    Science.gov (United States)

    Khatta, Swati; Tripathi, S. K.; Prakash, Satya

    2017-09-01

    The spin-polarised density functional theory along with self-consistent plane-wave pseudopotential is used to investigate the half-metallic ferromagnetic properties of ternary alloys Zn1- x V x Se. The generalized gradient approximation is used for exchange-correlation potential. The equilibrium lattice constants, bulk modulus, and its derivatives are calculated. The calculated spin-polarised energy-band structures reveal that these alloys are half-metallic for x = 0.375 and 0.50 and nearly half-metallic for other values of x. The estimated direct and indirect bandgaps may be useful for the magneto-optical absorption experiments. It is found that there is strong Zn 4s, Se 4p, and V 3d orbital hybridization in the conduction bands of both the spins, while Se 4p and V 3d orbital hybridization predominates in the valence bands of both the spins. The s, p-d, and p-d orbital hybridization reduces the local magnetic moment of V atoms and small local magnetic moments are produced on Zn and Se atoms which get coupled with V atoms in ferromagnetic and antiferromagnetic phases, respectively. The conduction and valence-band-edge splittings and exchange constants predict the ferromagnetism in these alloys. The conduction band-impurity (s and p-d) exchange interaction is more significant for ferromagnetism in these alloys than the valence band-impurity (p-d) exchange interaction.

  11. Gas atomization processing of tin and silicon modified LaNi5 for nickel-metal hydride battery applications

    Energy Technology Data Exchange (ETDEWEB)

    Ting, Jason [Iowa State Univ., Ames, IA (United States)

    1999-02-12

    Numerous researchers have studied the relevant material properties of so-called AB5 alloys for battery applications. These studies involved LaNi5 substituted alloys which were prepared using conventional cast and crush alloying techniques. While valuable to the understanding of metal hydride effects, the previous work nearly ignored the potential for alternative direct powder production methods, like high pressure gas atomization (HPGA). Thus, there is a need to understand the relationship between gas atomization processes, powder particle solidification phases, and hydrogen absorption properties of ultra fine (< 25 μm) atomized powders with high surface area for enhanced battery performance. Concurrently, development of a gas atomization nozzle that is more efficient than all current designs is needed to increase the yield of ultrafine AB5 alloy powder for further processing advantage. Gas atomization processing of the AB5 alloys was demonstrated to be effective in producing ultrafine spherical powders that were resilient to hydrogen cycling for the benefit of improving corrosion resistance in battery application. These ultrafine powders benefited from the rapid solidification process by having refined solute segregation in the microstructure of the gas atomized powders which enabled a rapid anneal treatment of the powders. The author has demonstrated the ability to produce high yields of ultrafine powder efficiently and cost effectively, using the new HPGA-III technology. Thus, the potential benefits of processing AB5 alloys using the new HPGA technology could reduce manufacturing cost of nickel-metal hydride powder. In the near future, the manufacture of AB5 alloy powders could become a continuous and rapid production process. The economic benefit of an improved AB5 production process may thereby encourage the use of nickel-metal hydride rechargeable batteries in electrical vehicle

  12. Effects of Nd-addition on the structural, hydrogen storage, and electrochemical properties of C14 metal hydride alloys

    Energy Technology Data Exchange (ETDEWEB)

    Wong, D.F. [BASF/Battery Materials-Ovonic, 2983 Waterview Drive, Rochester Hills, MI 48309 (United States); Department of Chemical Engineering, Wayne State University, Detroit, MI 48202 (United States); Young, K., E-mail: kwo.young@basf.com [BASF/Battery Materials-Ovonic, 2983 Waterview Drive, Rochester Hills, MI 48309 (United States); Department of Chemical Engineering, Wayne State University, Detroit, MI 48202 (United States); Nei, J.; Wang, L. [BASF/Battery Materials-Ovonic, 2983 Waterview Drive, Rochester Hills, MI 48309 (United States); Ng, K.Y.S. [Department of Chemical Engineering, Wayne State University, Detroit, MI 48202 (United States)

    2015-10-25

    Nd-addition to the AB{sub 2}-based alloy Ti{sub 12}Zr{sub 22.8−x}V{sub 10}Cr{sub 7.5}Mn{sub 8.1}Co{sub 7.0}Ni{sub 32.2}Al{sub 0.4}Nd{sub x} is studied for its effects on the structure, gaseous-phase hydrogen storage, and electrochemical properties. This study follows a series of Cu, Mo, Fe, Y, Si, and La doping studies in similar AB{sub 2}-based alloys. Limited solubility of Nd in the main Laves phase promotes the formation of secondary phases (AB and Zr{sub 7}Ni{sub 10}) to provide catalytic effects and synergies for improved capacity and high-rate dischargeability (HRD) performance. The main C14 storage phase has smaller lattice constants and cell volumes, and these effects reduce the storage capacity at higher Nd levels. Different hydrogen absorption mechanisms can occur in these multi-component, multi-phase alloys depending on the interfaces of the phases, and they have effects on the alloy properties. Higher Nd-levels improve the HRD performance despite having lower bulk diffusion and surface exchange current. Magnetic susceptibility measurements indicate large percentage of larger metallic nickel clusters are present in the surface oxide of alloys with higher Nd-content, and AC impedance studies show very low charge-transfer resistance with high catalytic capability in the alloys. The −40 °C charge-transfer resistance of 8.9 Ω g in this Nd-series of alloys is the lowest measured out of the studies investigating doped AB{sub 2}-based MH alloys for improved low-temperature characteristics. The improvement in HRD and low-temperature performance appears to be related to the proportion of the highly catalytic NdNi-phase at the surface, which must offset the increased bulk diffusion resistance in the alloy. - Graphical abstract: Schematics of hydrogen flow and corresponding PCT isotherms in funneling mode. - Highlights: • Structural and hydrogen storage properties of Nd-substituted AB{sub 2} metal hydride are reported. • Nd contributes to the lowest

  13. Heavy metal ternary halides for room-temperature x-ray and gamma-ray detection

    Science.gov (United States)

    Liu, Zhifu; Peters, John A.; Stoumpos, Constantinos C.; Sebastian, Maria; Wessels, Bruce W.; Im, Jino; Freeman, Arthur J.; Kanatzidis, Mercouri G.

    2013-09-01

    We report our recent progress on wide bandgap ternary halide compounds CsPbBr3 and CsPbCl3 for room temperature x-ray and gamma-ray detectors. Their bandgaps are measured to be 2.24 eV and 2.86 eV, respectively. The measured mobility-lifetime products of CsPbBr3 are 1.7×10-3, 1.3×10-3 cm2/V, for electron and hole carriers, respectively, comparable to those of CdTe. We measured the room temperature spectral response of CsPbBr3 sample to Ag x-ray radiation. It has a well-resolved spectral response to the 22.4 keV Kα radiation peak and detector efficiency comparable to that of CdZnTe detector at 295 K.

  14. Report on the basic design of a hydrogen transportation system utilizing metal hydrides and the evaluation thereon; Kinzoku suisokabutsu wo riyoshita suiso yuso system no kihon sekkei to sono hyoka ni kansuru hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1981-03-26

    This paper describes a hydrogen transportation system utilizing metal hydrides. For a storage method for moving, metal hydrides having high hydrogen containing performance like Mg-based hydrides would have high portability, less weight disadvantage, and high economic performance. In the fixed location storage, metal hydrides are superior in safety and maintenance cost to the conventional high-pressure gas holder and liquefied hydrogen storage. Because of their high dependence on equilibrium pressure and temperature, the significance of development thereof is large as the source of high-pressure hydrogen generation and motive force. More effective utilization of low-level heat, and separation and refining of hydrogen may also be expected. With regard to fuel supply for hydrogen fueled automobiles, metal hydrides are better in safety and total energy cost than liquefied hydrogen, but have a number of disadvantageous points in weight demerit. Eliminating the weight demerit would be the central issue of the development. Accompanying the development of hydrogen fueled automobiles, there are a number of technological elements to be developed on fuel supply system, such as storage, moving and transportation in hydrogen manufacturing sites, and filling and storage at using sites. Arranging the related infrastructures would be the issue. (NEDO)

  15. Complex transition metal hydrides incorporating ionic hydrogen: Synthesis and characterization of Na{sub 2}Mg{sub 2}FeH{sub 8} and Na{sub 2}Mg{sub 2}RuH{sub 8}

    Energy Technology Data Exchange (ETDEWEB)

    Humphries, Terry D., E-mail: terry_humphries81@hotmail.com [WPI-Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Takagi, Shigeyuki; Li, Guanqiao; Matsuo, Motoaki; Sato, Toyoto [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Sørby, Magnus H.; Deledda, Stefano; Hauback, Bjørn C. [Physics Department, Institute for Energy Technology, Kjeller NO-2027 (Norway); Orimo, Shin-ichi [WPI-Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)

    2015-10-05

    Highlights: • Structures of Na{sub 2}Mg{sub 2}FeH{sub 8} and Na{sub 2}Mg{sub 2}RuH{sub 8} have been determined by XRD and PND. • Compounds incorporate independently coordinated ionic and covalent hydrogen. • [TH{sub 6}]{sup 4−} anion is surrounded by a cubic array of four Mg{sup 2+} and four Na{sup +} cations. • H{sup −} anions are octahedrally coordinated by four Na{sup +} and two Mg{sup 2+} cations. • Vibrational modes of the H{sup −} anions and complex hydride anion are observed. - Abstract: A new class of quaternary complex transition metal hydrides (Na{sub 2}Mg{sub 2}TH{sub 8} (T = Fe, Ru)) have been synthesized and their structures determined by combined synchrotron radiation X-ray and powder neutron diffraction. The compounds can be considered as a link between ionic and complex hydrides in terms of incorporating independently coordinated ionic and covalent hydrogen. These novel isostructural complex transition metal hydrides crystallize in the orthorhombic space group Pbam, where the octahedral complex hydride anion is surrounded by a cubic array of four Mg{sup 2+} and four Na{sup +} cations, forming distinct two-dimensional layers. An intriguing feature of these materials is the distorted octahedral coordination of the isolated H{sup −} anions by four Na{sup +} and two Mg{sup 2+} cations, which form layers between the transition metal containing layers. The vibrational modes of the H{sup −} anions and complex hydride anion are independently observed for the first time in a quaternary complex transition metal hydride system by Raman and IR spectroscopy.

  16. Thermodynamic and structural properties of ball-milled mixtures composed of nano-structural graphite and alkali(-earth) metal hydride

    International Nuclear Information System (INIS)

    Miyaoka, Hiroki; Ichikawa, Takayuki; Fujii, Hironobu

    2007-01-01

    Hydrogen desorption properties of mechanically milled materials composed of nano-structural hydrogenated-graphite (C nano H x ) and alkali(-earth) metal hydride (MH; M = Na, Mg and Ca) were investigated from the thermodynamic and structural points of view. The hydrogen desorption temperature for all the C nano H x and MH composites was obviously lower than that of the corresponding each hydride. In addition, the desorption of hydrocarbons from C nano H x was significantly suppressed by making composite of C nano H x with MH, even though C nano H x itself thermally desorbs a considerably large amount of hydrocarbons. These results indicate that an interaction exists between C nano H x and MH, and hydrogen in both the phases is destabilized by a close contact between polar C-H groups in C nano H x and the MH solid phase. Moreover, a new type of chemical bonding between the nano-structural carbon (C nano ) and the Li, Ca, or Mg metal atoms may be formed after hydrogen desorption. Thus, the above metal-C-H system would be recognized as a new family of H-storage materials

  17. Room temperature oxidative intercalation with chalcogen hydrides: Two-step method for the formation of alkali-metal chalcogenide arrays within layered perovskites

    International Nuclear Information System (INIS)

    Ranmohotti, K.G. Sanjaya; Montasserasadi, M. Dariush; Choi, Jonglak; Yao, Yuan; Mohanty, Debasish; Josepha, Elisha A.; Adireddy, Shiva; Caruntu, Gabriel; Wiley, John B.

    2012-01-01

    Highlights: ► Topochemical reactions involving intercalation allow construction of metal chalcogenide arrays within perovskite hosts. ► Gaseous chalcogen hydrides serve as effect reactants for intercalation of sulfur and selenium. ► New compounds prepared by a two-step intercalation strategy are presented. -- Abstract: A two-step topochemical reaction strategy utilizing oxidative intercalation with gaseous chalcogen hydrides is presented. Initially, the Dion-Jacobson-type layered perovskite, RbLaNb 2 O 7 , is intercalated reductively with rubidium metal to make the Ruddlesden-Popper-type layered perovskite, Rb 2 LaNb 2 O 7 . This compound is then reacted at room-temperature with in situ generated H 2 S gas to create Rb-S layers within the perovskite host. Rietveld refinement of X-ray powder diffraction data (tetragonal, a = 3.8998(2) Å, c = 15.256(1) Å; space group P4/mmm) shows the compound to be isostructural with (Rb 2 Cl)LaNb 2 O 7 where the sulfide resides on a cubic interlayer site surrounded by rubidium ions. The mass increase seen on sulfur intercalation and the refined S site occupation factor (∼0.8) of the product indicate a higher sulfur content than expected for S 2− alone. This combined with the Raman studies, which show evidence for an H-S stretch, indicate that a significant fraction of the intercalated sulfide exists as hydrogen sulfide ion. Intercalation reactions with H 2 Se (g) were also carried out and appear to produce an isostructural selenide compound. The utilization of such gaseous hydride reagents could significantly expand multistep topochemistry to a larger number of intercalants.

  18. Room temperature oxidative intercalation with chalcogen hydrides: Two-step method for the formation of alkali-metal chalcogenide arrays within layered perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Ranmohotti, K.G. Sanjaya; Montasserasadi, M. Dariush; Choi, Jonglak; Yao, Yuan; Mohanty, Debasish; Josepha, Elisha A.; Adireddy, Shiva; Caruntu, Gabriel [Department of Chemistry and the Advanced Materials Research Institute, University of New Orleans, New Orleans, LA 70148-2820 (United States); Wiley, John B., E-mail: jwiley@uno.edu [Department of Chemistry and the Advanced Materials Research Institute, University of New Orleans, New Orleans, LA 70148-2820 (United States)

    2012-06-15

    Highlights: ► Topochemical reactions involving intercalation allow construction of metal chalcogenide arrays within perovskite hosts. ► Gaseous chalcogen hydrides serve as effect reactants for intercalation of sulfur and selenium. ► New compounds prepared by a two-step intercalation strategy are presented. -- Abstract: A two-step topochemical reaction strategy utilizing oxidative intercalation with gaseous chalcogen hydrides is presented. Initially, the Dion-Jacobson-type layered perovskite, RbLaNb{sub 2}O{sub 7}, is intercalated reductively with rubidium metal to make the Ruddlesden-Popper-type layered perovskite, Rb{sub 2}LaNb{sub 2}O{sub 7}. This compound is then reacted at room-temperature with in situ generated H{sub 2}S gas to create Rb-S layers within the perovskite host. Rietveld refinement of X-ray powder diffraction data (tetragonal, a = 3.8998(2) Å, c = 15.256(1) Å; space group P4/mmm) shows the compound to be isostructural with (Rb{sub 2}Cl)LaNb{sub 2}O{sub 7} where the sulfide resides on a cubic interlayer site surrounded by rubidium ions. The mass increase seen on sulfur intercalation and the refined S site occupation factor (∼0.8) of the product indicate a higher sulfur content than expected for S{sup 2−} alone. This combined with the Raman studies, which show evidence for an H-S stretch, indicate that a significant fraction of the intercalated sulfide exists as hydrogen sulfide ion. Intercalation reactions with H{sub 2}Se{sub (g)} were also carried out and appear to produce an isostructural selenide compound. The utilization of such gaseous hydride reagents could significantly expand multistep topochemistry to a larger number of intercalants.

  19. Recovery and Separation of Valuable Metals from Spent Nickel-Metal Hydride Batteries using some Organophosphorus Extractants

    International Nuclear Information System (INIS)

    Aly, M.I.; Daoud, J.A.; ALy, H.F.

    2012-01-01

    The separation of cobalt, nickel, and rare earth elements from NiMH battery residues is evaluated in this paper. A hydrometallurgical process is developed for the recovery of metals from spent batteries and a selective separation of RE by precipitation of sodium RE double sulfate is performed. The methodology used benefits the solubility of the battery electrode materials in sulfuric or hydrochloric acids. The results obtained show that sulfuric acid is slightly less powerful in leaching (NiMH) compared to HCl acid. However, sulfuric acid was used on economic basis. Leaching solution was obtained by using 3 M H 2 SO 4 at 70 +1 degree C + 3% wt. H 2 O 2 for 5 hours. It has been shown that it is possible to recover about 98 % of the RE contained in spent NiMH batteries. The maximum recovery of nickel and cobalt metals was 99.9% and 99.4%, respectively. The effects of the main operating variables of both leaching and solvent extraction steps of nickel (II) and cobalt (II) from the leach solution using HDEHP (di-2-ethylhexyl phosphoric acid) and CYANEX 272 (di-(2,4,4 trimethyl pentyl) phosphinic acid) in kerosene were investigated aiming to maximize metal separation for recycling purposes. The developed process for the recovery and separation of nickel (II) , cobalt (II), and rare earth from spent NiMH batteries is tested and the obtained sulfate salts CoSO 4 and NiSO 4 have a high purity, suggesting that these recovered products could be used as chemical materials without further purification

  20. Investigation of Ternary Transition-Metal Nitride Systems by Reactive Cosputtering

    NARCIS (Netherlands)

    Dover, R.B. Van; Hessen, B.; Werder, D.; Chen, C.-H.; Felder, R.J.

    1993-01-01

    A reactive dc cosputtering technique has been used to evaluate compound formation in bimetallic transition-metal nitride systems. A wide range in M-M’ composition can be studied in a single deposition run, and the method is applicable to nonalloying metal combinations. Using this technique, it was

  1. Hydrogen storage alloy electrode for metal-hydride alkaline storage battery its production method; Kinzoku-suisokabutsu aruakri chikudenchiyo no suiso kyuzo gokin denkyoku oyobi sono seizo hoho

    Energy Technology Data Exchange (ETDEWEB)

    Matsuura, Y.; Nogami, K.; Kimoto, M.; Higashiyama, N.; Kuroda, Y.; Yonezu, I.; Nishio, K.

    1997-03-28

    Recently, it is proposed to employ the hydrogen storage alloy produced by means of rapidly solidifying single roll method, i.e., a method of projecting the molten alloy onto the surface of roll rotating in high speed as for the negative electrode material of the metal hydride alkaline battery. However, the hydrogen storage alloy produced by the single roll method has a heterogeneous grain size. So that the utilization of the hydrogen storage alloy is limited. This invention solves the problem. The rare earth-nickel system hydrogen storage alloy ribbon with average thickness of 0.08 - 0.35 mm is produced by means of single roll method. The grain size of the alloy is over 0.2 micrometer on roll surface side and below 20 micrometers on open surface side. The above said alloy is ground to average particle size of 25 - 70 micrometers to be used for the hydrogen absorbent. In this way, the metal hydride alkaline battery with excellent high rate discharge characteristic at the initial stage of charge-discharge cycle, excellent charge-discharge cycle characteristic, and excellent inner pressure characteristic can be produced. 2 figs., 5 tabs.

  2. Hydrogen storage alloy electrode of metal hydride alkaline storage battery and its production method; Kinzoku-suisokabutsu arukari chikudenchiyo no suiso kyuzo gokin denkyoku oyobi sono seizo hoho

    Energy Technology Data Exchange (ETDEWEB)

    Matsuura, Y.; Nogami, K.; Kimoto, M.; Higashiyama, N.; Kuroda, Y.; Yonezu, I.; Nishio, K.

    1997-03-28

    Recently, a proposal was made of employing the hydrogen storage alloy produced by means f rapidly solidifying single roll method, i.e., a method of projecting the molten alloy onto the surface of roll rotating in high speed as for the negative electrode material of the metal hydride alkaline battery. However, the hydrogen storage alloy produced by the single roll method has a heterogeneous grain size. This invention solves the problem. The Mm{center_dot}Ni{center_dot}Co{center_dot}Al{center_dot}Mn alloy ribbon with average thickness of 0.08 - 0.35 mm is produced by means of single roll method. The grain size of the alloy is over 0.2 micrometer on roll surface side and below 18 micrometers on open surface side. The alloy is ground to be used for the hydrogen absorbent. The general formula of this alloy is MmR(x) (Mm = mischmetal, R = Ni, Co, Al, Mn). In this way, the metal hydride alkaline battery with excellent high rate discharge characteristic at the initial stage of charge-discharge cycle, excellent charge-discharge cycle characteristic, and excellent inner pressure characteristic can be produced. 2 figs., 5 tabs.

  3. 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

  4. Thin-layer chromatography of ternary complexes of group-IIIA metals with 2-thenoyltrifluoroacetone and 2,2'-bipyridyl on cellulose layer

    Energy Technology Data Exchange (ETDEWEB)

    Chao, H E; Saitoh, K; Suzuki, N [Tohoku Univ., Sendai (Japan). Faculty of Science

    1980-11-11

    Normal phase thin-layer chromatographic behaviour of several ternary complexes of group-IIIA metals with 2-thenoyltrifluoroacetone (TTA) and 2,2'bipyridyl (bpy) has been investigated on cellulose layer. The ternary complexes of lanthanide metals show higher mutual separability than the complexes with TTA alone. Mutual separation of TTA complexes with La(III), Ce(III), Eu(III) or Y(III), Sc(III), Th(IV), and U(VI) has been successfully achieved by two-dimensional TLC, primarily with carbon tetrachloride-benzene (75:25) containing 0.02M TTA, and secondary with carbon tetrachloride-hexane (35:65) containing both 0.02M TTA and 0.02M bpy.

  5. Low temperature synthesis of ternary metal phosphides using plasma for asymmetric supercapacitors

    KAUST Repository

    Liang, Hanfeng; Xia, Chuan; Jiang, Qiu; Gandi, Appala; Schwingenschlö gl, Udo; Alshareef, Husam N.

    2017-01-01

    We report a versatile route for the preparation of metal phosphides using PH plasma for supercapacitor applications. The high reactivity of plasma allows rapid and low temperature conversion of hydroxides into monometallic, bimetallic, or even more

  6. Ternary fission

    Indian Academy of Sciences (India)

    the energy minimization of all possible ternary breakups of a heavy radioactive nucleus. Further, within the TCM we have analysed the competition between different geometries as well as different positioning of the fragments. Also, an attempt was made to calculate the mass distribution of ternary fission process within the ...

  7. Electrochemical and metallurgical characterization of ZrCr{sub 1-x}NiMo{sub x} AB{sub 2} metal hydride alloys

    Energy Technology Data Exchange (ETDEWEB)

    Erika, Teliz [Universidad de la República, Facultad de Ciencias, Laboratorio de Electroquímica Fundamental, Núcleo Interdisciplinario Ingeniería Electroquímica, Igua 4225, CP 11400 Montevideo (Uruguay); Ricardo, Faccio [Universidad de la República, Crystallography, Solid State and Materials Laboratory (Cryssmat-Lab), DETEMA, Centro NanoMat, Polo Tecnológico de Pando, Espacio Interdisciplinario, Facultad de Química, Montevideo (Uruguay); Fabricio, Ruiz [Consejo Nacional de Investigaciones Científicas y Técnicas , CONICET, Av. Rivadavia 1917, C1033AAJ Ciudad de Buenos Aires (Argentina); Centro Atómico Bariloche , Comisión Nacional de Energía Atómica (CAB-CNEA), Av. Bustillo 9500, CP 8400 S.C. de Bariloche, RN (Argentina); Fernando, Zinola [Universidad de la República, Facultad de Ciencias, Laboratorio de Electroquímica Fundamental, Núcleo Interdisciplinario Ingeniería Electroquímica, Igua 4225, CP 11400 Montevideo (Uruguay); and others

    2015-11-15

    The effects of partial replacement of chromium by molybdenum was studied on the structure and electrochemical kinetic properties of ZrCr{sub 1-x}NiMo{sub x}(x = 0.0, 0.3 and 0.6) metal hydride alloys. The arc-melting prepared alloys were metallurgically characterized by X-ray diffraction and energy dispersive spectroscopy microanalysis, which showed AB{sub 2} (with hexagonal C14 structure) and Zr{sub x}Ni{sub y} (Zr{sub 7}Ni{sub 10}, Zr{sub 9}Ni{sub 11}) phases. After a partial substitution of chromium by molybdenum, secondary phases monotonically increase with the C14 unit cell volume indicating that most of molybdenum atoms locate in the B-site. The alloys were electrochemically characterized using charge/discharge cycling, electrochemical impedance spectroscopy and rate capability experiments that allowed the determination of hydriding reaction kinetic parameters. The presence of molybdenum produces a positive effect for hydrogen diffusion in the alloy lattice, and ZrCr{sub 0.7}NiMo{sub 0.3} alloy depicts the better kinetics associated with a fast activation, lower charge transfer resistance and the best high rate discharge behavior. This fact would be related to a lower diffusion time constant and a bigger value of the product between exchange density current and surface active area. There is a trade-off in the amounts of secondary phase and Laves phases in order to improve the kinetic performance. - Highlights: • Metallurgical characterization evidences the presence of Zr{sub x}Ni{sub y} and C14 phases. • The partial replacement of Cr by Mo promotes the segregation of Zr{sub x}Ni{sub y} phase. • The incorporation of molybdenum improves the kinetics for the hydriding process. • Mo produces a decrease in the diffusion time constant.

  8. Synthesis and reactions of imines of α,β-ethylenic silicon-containing aldehydes with complex metal hydrides

    International Nuclear Information System (INIS)

    Surnin, V.A.; Stadnichuk, M.D.

    1986-01-01

    Imines of 3-trimethylsilyl-2-propenal or its hydrocarbon analog are reduced chemoselectively at the C=N double bond by sodium borohydride. The direction of lithium aluminum hydride reduction of these imines is not influenced by the nature of the element attached to the C=C bond silicon versus carbon, but rather is determined by the nature of the radical group attached to the nitrogen atom; N-arylimines undergo addition with lithium aluminum hydride at the C=N bond exclusively, whereas for N-alkylimines the addition reactions occur either partially or in full in the 1,4-position, depending on the reaction conditions, to give imines of saturated aldehydes after demetallation

  9. Stability and electronic structure of Zr-based ternary metallic glasses and relevant compounds

    International Nuclear Information System (INIS)

    Hasegawa, M.; Soda, K.; Sato, H.; Suzuki, T.; Taketomi, T.; Takeuchi, T.; Kato, H.; Mizutani, U.

    2007-01-01

    The electronic structure of the Zr-based metallic glasses has been investigated by theoretical and experimental approaches. One approach is band calculations of the Zr 2 Ni (Zr 66.7 Ni 33.3 ) compound to investigate the electronic structure of the Zr 66.7 Ni 33.3 metallic glass (ΔT x = 0 K) of which the local atomic structure is similar to that of the Zr 2 Ni compound. The other is photoemission spectroscopy of the Zr 50 Cu 35 Al 15 bulk metallic glass (BMG) (ΔT x = 69 K). Here ΔT x = T x - T g where T x and T g are crystallization and glass transition temperature, respectively. Both results and previous ones on the Zr 55 Cu 30 Ni 5 Al 10 BMG indicate that there is a pseudogap at the Fermi level in the electronic structure of these Zr-based metallic glasses, independent of the value of the ΔT x . This implies that the pseudogap at the Fermi level is one of the factors that stabilize the glass phase of Zr-based metallic glasses

  10. Structure and physical properties of ternary uranium transition-metal antimonides U3MSb5 (M = Zr, Hf, Nb)

    International Nuclear Information System (INIS)

    Tkachuk, Andriy V.; Muirhead, Craig P.T.; Mar, Arthur

    2006-01-01

    The ternary uranium transition-metal antimonides U 3 MSb 5 (M = Zr, Hf, Nb) were prepared by arc-melting reactions followed by annealing at 800 deg. C, or by use of a Sn flux. These compounds extend the previously known series U 3 MSb 5 (M = Ti, V, Cr, Mn) and RE 3 MSb 5 (RE = La, Ce, Pr, Nd, Sm; M = Ti, Zr, Hf, Nb). The crystal structures of U 3 MSb 5 were determined by single-crystal X-ray diffraction data (Pearson symbol hP18, hexagonal, space group P6 3 /mcm, Z = 2; U 3 ZrSb 5 , a = 9.2223(3) A, c = 6.1690(2) A; U 3 HfSb 5 , a = 9.2084(4) A, c = 6.1629(3) A; U 3 NbSb 5 , a = 9.1378(4) A, c 6.0909(6) A). U 3 TaSb 5 has also been identified in microcrystalline form (a = 9.233(3) A, c = 6.142(3) A). Four-probe electrical resistivity measurements on single crystals and dc magnetic susceptibility measurements on powders indicated prominent transitions that are attributed to ferromagnetic ordering. The Curie temperatures, T C , located from ac magnetic susceptibility curves, are 135 K for U 3 ZrSb 5 , 141 K for U 3 HfSb 5 , and 107 K for U 3 NbSb 5

  11. Hydrogen energy technology development conference. From production of hydrogen to application of utilization technologies and metal hydrides, and examples; Suiso energy gijutsu kaihatsu kaigi. Suiso no seizo kara riyo gijutsu kinzoku suisokabutsu no oyo to jirei

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1984-02-14

    The hydrogen energy technology development conference was held on February 14 to 17, 1984 in Tokyo. For hydrogen energy systems and production of hydrogen from water, 6 papers were presented for, e.g., the future of hydrogen energy, current state and future of hydrogen production processes, and current state of thermochemical hydrogen technology development. For hydrogen production, 6 papers were presented for, e.g., production of hydrogen from steel mill gas, coal and methanol. For metal hydrides and their applications, 6 papers were presented for, e.g., current state of development of hydrogen-occluding alloy materials, analysis of heat transfer in metal hydride layers modified with an organic compound and its simulation, and development of a large-size hydrogen storage system for industrial purposes. For hydrogen utilization technologies, 8 papers were presented for, e.g., combustion technologies, engines incorporating metal hydrides, safety of metal hydrides, hydrogen embrittlement of system materials, development trends of phosphate type fuel cells, and alkali and other low-temperature type fuel cells. (NEDO)

  12. Preparation, characterization, and use of metal hydrides for fuel systems. Progress report, September 1, 1976--May 31, 1977

    International Nuclear Information System (INIS)

    Herley, P.J.

    1977-05-01

    The isothermal decomposition kinetics of unirradiated and irradiated powdered lithium aluminum hydride have been determined in the temperature range 125 to 155 0 C. The resulting activation energies for unirradiated material for the induction, acceleratory, decay and slow final rate were, respectively, 116.8, 94.3, 87.1 and 12.9 +- 4.6 KJ/mole. For preirradiated powders (1.25 x 10 5 rad) activation energies for the same periods were 119.0, 99.5, 80.5 and 10.0 +- 4.6 KJ/mole, respectively. Admixture with powdered aluminum, nickel and final reaction product did not affect the subsequent thermal decomposition. Exposure to dry air and carbon dioxide do not affect the decomposition, but 2 minute exposure to saturated water vapor reduces the percentage decomposition by almost 50%. An extensive differential scanning calorimeter study has been made of LiAlH 4 (irradiation and water vapor effects), AlH 3 and NaAlH 3 (irradiation effects). The results indicate that irradiation tends to move the existing peaks to lower temperatures and at higher doses may even introduce additional peaks. The data above were analyzed using a cubic acceleratory period equation and a monomolecular decay law. In addition the analysis shows that irradiation increased the concentration of decomposition nuclei and the rate that potential decomposition sites are converted to active sites. These observations suggest that the same process is occurring in both irradiated and unirradiated lithium aluminum hydride, but that the rate constants are increased by prior irradiation. The photolytic decomposition of powdered LiAlH 4 and AlH 3 is markedly reproducible with no dark rate occurring in both instances. Magnesium hydride is also readily photolyzed with the BH 6 lamp and the actinic wavelength and intensity-rate relationships are being determined

  13. Chemical effects in ion mixing of a ternary system (metal-SiO2)

    Science.gov (United States)

    Banwell, T.; Nicolet, M.-A.; Sands, T.; Grunthaner, P. J.

    1987-01-01

    The mixing of Ti, Cr, and Ni thin films with SiO2 by low-temperature (- 196-25 C) irradiation with 290 keV Xe has been investigated. Comparison of the morphology of the intermixed region and the dose dependences of net metal transport into SiO2 reveals that long range motion and phase formation probably occur as separate and sequential processes. Kinetic limitations suppress chemical effects in these systems during the initial transport process. Chemical interactions influence the subsequent phase formation.

  14. Theoretical study of temperature dependent acoustic attenuation and non-linearity parameters in alkali metal hydride and deuteride

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Rishi Pal [Department of Physics, Banaras Hindu University, Varanasi 221005 (India); Singh, Rajendra Kumar, E-mail: rksingh_17@rediffmail.com [Department of Physics, Banaras Hindu University, Varanasi 221005 (India)

    2010-11-01

    Temperature dependence of acoustic attenuation and non-linearity parameters in lithium hydride and lithium deuteride have been studied for longitudinal and shear modes along various crystallographic directions of propagation in a wide temperature range. Lattice parameter and repulsive parameters have been used as input data and interactions up to next nearest neighbours have been considered to calculate second and third order elastic constants which in turn have been used for evaluating acoustic attenuation and related parameters. The results have been discussed and compared with available data. It is hoped that the present results will serve to stimulate the determination of the acoustic attenuation of these compounds at different temperatures.

  15. Research Update: A hafnium-based metal-organic framework as a catalyst for regioselective ring-opening of epoxides with a mild hydride source

    International Nuclear Information System (INIS)

    Stephenson, Casey J.; Hassan Beyzavi, M.; Klet, Rachel C.; Hupp, Joseph T.; Farha, Omar K.

    2014-01-01

    Reaction of styrene oxide with sodium cyanoborohydride and a catalytic amount of Hf-NU-1000 yields the anti-Markovnikov product, 2-phenylethanol, with over 98% regioselectivity. On the other hand, propylene oxide is ring opened in a Markovnikov fashion to form 2-propanol with 95% regioselectivity. Both styrene oxide and propylene oxide failed to react with sodium cyanoborohydride without the addition of Hf-NU-1000 indicative of the crucial role of Hf-NU-1000 as a catalyst in this reaction. To the best of our knowledge, this is the first report of the use of a metal-organic framework material as a catalyst for ring-opening of epoxides with hydrides

  16. A paste type negative electrode using a MmNi{sub 5} based hydrogen storage alloy for a nickel-metal hydride (Ni-MH) battery

    Energy Technology Data Exchange (ETDEWEB)

    Uchida, H.; Matsumoto, T.; Watanabe, S.; Kobayashi, K.; Hoshino, H. [Tokai Univ., Kanagawa (Japan). School of Engineering

    2001-07-01

    Different conducting materials (nickel, copper, cobalt, graphite) were mixed with a MmNi{sub 5} type hydrogen storage alloy, and negative electrodes for a nickel-metal hydride(Ni-MH) rechargeable battery were prepared and examined with respect to the discharge capacity of the electrodes. The change in the discharge capacity of the electrodes with different conducting materials was measured as a function of the number of electrochemical charge and discharge cycles. From the measurements, the electrodes with cobalt and graphite were found to yield much higher discharge capacities than those with nickel or cobalt. From a comparative discharge measurements for an electrode composed of only cobalt powder without the alloy and an electrode with a mixture of cobalt and the alloy, an appreciable contribution of the cobalt surface to the enhancement of charge and discharge capacities was found. (author)

  17. Identification of a new pseudo-binary hydroxide during calendar corrosion of (La, Mg)2Ni7-type hydrogen storage alloys for Nickel-Metal Hydride batteries

    Science.gov (United States)

    Monnier, J.; Chen, H.; Joiret, S.; Bourgon, J.; Latroche, M.

    2014-11-01

    To improve the performances of Nickel-Metal Hydride batteries, an important step is the understanding of the corrosion processes that take place in the electrode material. In particular, the present study focuses for the first time on the model (La, Mg)2Ni7 system. The calendar corrosion in 8.7 M KOH medium was investigated from 6 h to 16 weeks immersion. By a unique combination of structural and elemental characterisations, the corrosion products are evidenced in those systems. In particular, we demonstrate that Ni and Mg combine in a pseudo-binary hydroxide Mg1-xNix(OH)2 whereas La corrodes into nanoporous La(OH)3 needles with inner hollow nanochannels.

  18. A new battery capacity indicator for nickel-metal hydride battery powered electric vehicles using adaptive neuro-fuzzy inference system

    International Nuclear Information System (INIS)

    Chau, K.T.; Wu, K.C.; Chan, C.C.; Shen, W.X.

    2003-01-01

    This paper describes a new approach to estimate accurately the battery residual capacity (BRC) of the nickel-metal hydride (Ni-MH) battery for modern electric vehicles (EVs). The key to this approach is to model the Ni-MH battery in EVs by using the adaptive neuro-fuzzy inference system (ANFIS) with newly defined inputs and output. The inputs are the temperature and the discharged capacity distribution describing the discharge current profile, while the output is the state of available capacity (SOAC) representing the BRC. The estimated SOAC from ANFIS model and the measured SOAC from experiments are compared, and the results confirm that the proposed approach can provide an accurate estimation of the SOAC under variable discharge currents

  19. Low temperature synthesis of ternary metal phosphides using plasma for asymmetric supercapacitors

    KAUST Repository

    Liang, Hanfeng

    2017-04-06

    We report a versatile route for the preparation of metal phosphides using PH plasma for supercapacitor applications. The high reactivity of plasma allows rapid and low temperature conversion of hydroxides into monometallic, bimetallic, or even more complex nanostructured phosphides. These same phosphides are much more difficult to synthesize by conventional methods. Further, we present a general strategy for significantly enhancing the electrochemical performance of monometallic phosphides by substituting extrinsic metal atoms. Using NiCoP as a demonstration, we show that the Co substitution into NiP not only effectively alters the electronic structure and improves the intrinsic reactivity and electrical conductivity, but also stabilizes Ni species when used as supercapacitor electrode materials. As a result, the NiCoP nanosheet electrodes achieve high electrochemical activity and good stability in 1 M KOH electrolyte. More importantly, our assembled NiCoP nanoplates//graphene films asymmetric supercapacitor devices can deliver a high energy density of 32.9 Wh kg at a power density of 1301 W kg, along with outstanding cycling performance (83% capacity retention after 5000 cycles at 20 A g). This activity outperforms most of the NiCo-based materials and renders the NiCoP nanoplates a promising candidate for capacitive storage devices.

  20. Comparative study on metal biosorption by two macroalgae in saline waters: single and ternary systems.

    Science.gov (United States)

    Figueira, Paula; Henriques, Bruno; Teixeira, Ana; Lopes, Cláudia B; Reis, Ana T; Monteiro, Rui J R; Duarte, A C; Pardal, M A; Pereira, E

    2016-06-01

    The biosorption capability of two marine macroalgae (green Ulva lactuca and brown Fucus vesiculosus) was evaluated in the removal of toxic metals (Hg, Cd and Pb) from saline waters, under realistic conditions. Results showed that, independently of the contamination scenario tested, both macroalgae have a remarkable capacity to biosorb Hg and Pb. In single-contaminant systems, by using only c.a. 500 mg of non-pre-treated algae biomass (size macroalgae exhibited a similar selectivity toward the target metals: Hg > Pb> > Cd, although Pb removal by U. lactuca was more inhibited than that achieved by F. vesiculosus. Under the experimental conditions used, none of the macroalgae was effective to remove Cd (maximum removal of 20 %). In all cases, the kinetics of biosorption was mathematically described with success. Globally, it became clear that the studied macroalgae may be part of simple, efficient, and cost-effective water treatment technologies. Nevertheless, Fucus vesiculosus has greater potential, since it always presented higher initial sorption rates and higher removal efficiencies.

  1. Synthesis, structural characterization, in vitro antimicrobial and anticancer activity studies of ternary metal complexes containing glycine amino acid and the anti-inflammatory drug lornoxicam

    Science.gov (United States)

    Mahmoud, Walaa H.; Mohamed, Gehad G.; El-Dessouky, Maher M. I.

    2015-02-01

    Mixed ligand complexes were synthesized using lornoxicam (LOR) as the primary ligand and glycine amino acid (HGly) as the secondary ligand. They were characterized by FT-IR, UV-Vis, mass, 1H NMR, ESR spectral studies, TG-DTG, X-ray powder diffraction and physical analytical studies. From the molar conductance, magnetic moment and electronic spectral data of the synthesized complexes, general formulae of [M(LOR)2(Gly)]·Xn·yH2O where M = Cr(III) (X = Cl, n = 2, y = 3), Mn(II) (X = Cl, n = 1, y = 1), Co(II) (X = BF4, n = 1, y = 0), Ni(II) (X = Cl, n = 1, y = 0), Cu(II) (X = BF4, n = 1, y = 2) and Zn(II) (X = BF4, n = 1, y = 2) and (M = Fe(II) (X = BF4, n = 1, y = 1) and Fe(III) (X = Cl, n = 2, y = 1) with an octahedral structure were proposed. Thermal analyses show that the complexes lose water molecules of hydration initially and subsequently expel anionic parts and organic ligands in continuous steps. The kinetic parameters namely E, ΔH∗, ΔS∗ and ΔG∗ illustrate the spontaneous association of the metal and ligands in the formation of the complexes. The antimicrobial efficiency of the LOR and HGly ligands and the ternary complexes were examined by in vitro method against various pathogenic bacterial and fungal strains. The metal complexes were found to possess efficient antimicrobial properties compared to lornoxicam and most of these complexes could turn out to be excellent models for the design of effective antibiotic drug substances. Also, the two ligands, in comparison to ternary metal complexes are screened for their anticancer activity against breastic cancer cell line. The results showed that the metal complexes be more active than the parent LOR and glycine free ligands except Cr(III) ternary complex which was found to be inactive.

  2. The Effect of Hydrogen and Hydrides on the Integrity of Zirconium Alloy Components Delayed Hydride Cracking

    CERN Document Server

    Puls, Manfred P

    2012-01-01

    By drawing together the current theoretical and experimental understanding of the phenomena of delayed hydride cracking (DHC) in zirconium alloys, The Effect of Hydrogen and Hydrides on the Integrity of Zirconium Alloy Components: Delayed Hydride Cracking provides a detailed explanation focusing on the properties of hydrogen and hydrides in these alloys. Whilst the focus lies on zirconium alloys, the combination of both the empirical and mechanistic approaches creates a solid understanding that can also be applied to other hydride forming metals.   This up-to-date reference focuses on documented research surrounding DHC, including current methodologies for design and assessment of the results of periodic in-service inspections of pressure tubes in nuclear reactors. Emphasis is placed on showing that our understanding of DHC is supported by progress across a broad range of fields. These include hysteresis associated with first-order phase transformations; phase relationships in coherent crystalline metallic...

  3. Ternary fission

    International Nuclear Information System (INIS)

    Wagemans, C.

    1991-01-01

    Since its discovery in 1946, light (charged) particle accompanied fission (ternary fission) has been extensively studied, for spontaneous as well as for induced fission reactions. The reason for this interest was twofold: the ternary particles being emitted in space and time close to the scission point were expected to supply information on the scission point configuration and the ternary fission process was an important source of helium, tritium, and hydrogen production in nuclear reactors, for which data were requested by the nuclear industry. Significant experimental progress has been realized with the advent of high-resolution detectors, powerful multiparameter data acquisition systems, and intense neutron and photon beams. As far as theory is concerned, the trajectory calculations (in which scission point parameters are deduced from the experimental observations) have been very much improved. An attempt was made to explain ternary particle emission in terms of a Plateau-Rayleigh hydrodynamical instability of a relatively long cylindrical neck or cylindrical nucleus. New results have also been obtained on the so-called open-quotes trueclose quotes ternary fission (fission in three about-equal fragments). The spontaneous emission of charged particles has also clearly been demonstrated in recent years. This chapter discusses the main characteristics of ternary fission, theoretical models, light particle emission probabilities, the dependence of the emission probabilities on experimental variables, light particle energy distributions, light particle angular distributions, correlations between light particle accompanied fission observables, open-quotes trueclose quotes ternary fission, and spontaneous emission of heavy ions. 143 refs., 18 figs., 8 tabs

  4. Metal interferences and their removal prior to the determination of As(T) and As(III) in acid mine waters by hydride generation atomic absorption spectrometry

    Science.gov (United States)

    McCleskey, R. Blaine; Nordstrom, D. Kirk; Ball, James W.

    2003-01-01

    Hydride generation atomic absorption spectrometry (HGAAS) is a sensitive and selective method for the determination of total arsenic (arsenic(III) plus arsenic(V)) and arsenic(III); however, it is subject to metal interferences for acid mine waters. Sodium borohydride is used to produce arsine gas, but high metal concentrations can suppress arsine production. This report investigates interferences of sixteen metal species including aluminum, antimony(III), antimony(V), cadmium, chromium(III), chromium(IV), cobalt, copper(II), iron(III), iron(II), lead, manganese, nickel, selenium(IV), selenium(VI), and zinc ranging in concentration from 0 to 1,000 milligrams per liter and offers a method for removing interfering metal cations with cation exchange resin. The degree of interference for each metal without cation-exchange on the determination of total arsenic and arsenic(III) was evaluated by spiking synthetic samples containing arsenic(III) and arsenic(V) with the potential interfering metal. Total arsenic recoveries ranged from 92 to 102 percent for all metals tested except antimony(III) and antimony(V) which suppressed arsine formation when the antimony(III)/total arsenic molar ratio exceeded 4 or the antimony(V)/total arsenic molar ratio exceeded 2. Arsenic(III) recoveries for samples spiked with aluminum, chromium(III), cobalt, iron(II), lead, manganese, nickel, selenium(VI), and zinc ranged from 84 to 107 percent over the entire concentration range tested. Low arsenic(III) recoveries occurred when the molar ratios of metals to arsenic(III) were copper greater than 120, iron(III) greater than 70, chromium(VI) greater than 2, cadmium greater than 800, antimony(III) greater than 3, antimony(V) greater than 12, or selenium(IV) greater than 1. Low recoveries result when interfering metals compete for available sodium borohydride, causing incomplete arsine production, or when the interfering metal oxidizes arsenic(III). Separation of interfering metal cations using

  5. Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.

    Science.gov (United States)

    Pappas, Iraklis; Chirik, Paul J

    2016-10-03

    The hydrogenolysis of titanium-nitrogen bonds in a series of bis(cyclopentadienyl) titanium amides, hydrazides and imides by proton coupled electron transfer (PCET) is described. Twelve different N-H bond dissociation free energies (BDFEs) among the various nitrogen-containing ligands were measured or calculated, and effects of metal oxidation state and N-ligand substituent were determined. Two metal hydride complexes, (η 5 -C 5 Me 5 )(py-Ph)Rh-H (py-Ph = 2-pyridylphenyl, [Rh]-H) and (η 5 -C 5 R 5 )(CO) 3 Cr-H ([Cr] R -H, R= H, Me) were evaluated for formal H atom transfer reactivity and were selected due to their relatively weak M-H bond strengths yet ability to activate and cleave molecular hydrogen. Despite comparable M-H BDFEs, disparate reactivity between the two compounds was observed and was traced to the vastly different acidities of the M-H bonds and overall redox potentials of the molecules. With [Rh]-H, catalytic syntheses of ammonia, silylamine and N,N-dimethylhydrazine have been accomplished from the corresponding titanium(IV) complex using H 2 as the stoichiometric H atom source. The data presented in this study provides the thermochemical foundation for the synthesis of NH 3 by proton coupled electron transfer at a well-defined transition metal center.

  6. Hydride formation on deformation twin in zirconium alloy

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Ju-Seong [Korea Atomic Energy Research Institute, 989-111 Daedeokdaero, Yuseong-gu, Daejeon, 305-353 (Korea, Republic of); Kim, Sung-Dae [Korea Institute of Material Science (KIMS), 797 Changwondaero, Changwon, Gyeongnam, 642-831 (Korea, Republic of); Yoon, Jonghun, E-mail: yooncsmd@gmail.com [Department of Mechanical Engineering, Hanyang University, 1271 Sa3-dong, Sangrok-gu, Ansan-si, Gyeonggi-do, 426-791 (Korea, Republic of)

    2016-12-15

    Hydrides deteriorate the mechanical properties of zirconium (Zr) alloys used in nuclear reactors. Intergranular hydrides that form along grain boundaries have been extensively studied due to their detrimental effects on cracking. However, it has been little concerns on formation of Zr hydrides correlated with deformation twins which is distinctive heterogeneous nucleation site in hexagonal close-packed metals. In this paper, the heterogeneous precipitation of Zr hydrides at the twin boundaries was visualized using transmission electron microscopy. It demonstrates that intragranular hydrides in the twinned region precipitates on the rotated habit plane by the twinning and intergranular hydrides precipitate along the coherent low energy twin boundaries independent of the conventional habit planes. Interestingly, dislocations around the twin boundaries play a substantial role in the nucleation of Zr hydrides by reducing the misfit strain energy.

  7. Synthesis and thermal characterization of new ternary chelates of piroxicam and tenoxicam with glycine and DL-phenylalanine and some transition metals

    Science.gov (United States)

    Zayed, M. A.; El-Dien, F. A. Nour; Mohamed, Gehad G.; El-Gamel, Nadia E. A.

    2006-05-01

    The ternary chelates of piroxicam (Pir) and tenoxicam (Ten) with Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) in the presence of various amino acids such as glycine (Gly) or DL-phenylalanine (PhA) were prepared and characterized with different physicochemical methods. IR spectra confirm that Pir and Ten behave as a neutral bidentate ligand coordinated to the metal ions via the pyridine- N and carbonyl group of the amide moiety. Gly molecule acted as a uninegatively monodentate ligand and coordinate to the metal ions through its deprotonated carboxylic group. In addition, PhA acted as a uninegatively bidentate ligand and coordinate to the metal ions through its deprotonated carboxylic and amino groups. The solid reflectance spectra and magnetic moment measurements confirm that all the chelates have octahedral geometrical structures while Cu(II)- and Zn(II)-ternary chelates with PhA have square planar geometrical structures. Thermal behaviour of the complexes is extensively studied using TG and DTA techniques. TG results show that water molecules (hydrated and coordinated) and anions are removed in the first and second steps while Gly, PhA, Pir and Ten are decomposed in the next and subsequent steps. The pyrolyses of the chelates into different gases are observed in the DTA curves as exo- or endothermic peaks. Also, phase transition states are observed in some chelates. Different thermodynamic parameters are calculated using Coats-Redfern method and the results are interpreted.

  8. Spectrophotometric Study of Ternary Complex Forming Systems of Some Lanthanide Metal Ions with Eriochrome Cyanine R in Presence of Cetylpyridinium Bromide for Microdetermination

    Directory of Open Access Journals (Sweden)

    A. S. Dhepe

    2011-01-01

    Full Text Available Study of coordination compounds of lanthanide elements has received a great attention due to growing applications in science and technology. Number of chromogenic reagents form water soluble colored complexes with lanthanides. Eriochrome cyanine R (ECR a member of triphenylmethane type of dye has been reported to form green colored complexes with lanthanides and has been used for microdetermination of these metal ions. Addition of cationic surfactant, Cetylpyridinium bromide (CPB, a cationic surfactant sensitizes the color reactions of Gd(III, Tb(III, Dy(III, Ho(III and Lu(III with ECR. Formation of water soluble, highly colored ternary complexes with a considerable bathochromic shift of about 50 nm in presence of surfactant has been observed. Optimum reaction conditions and other analytical parameters were also evaluated. Stoichiometric ratio 1:3:3 of Ln: ECR: CPB are responsible for the observed rise in molar absorptivity and sensitivity. Beer’s law was obeyed between 0.50 to 13.00 ppm. Effective photometric range and molar absorptivity of these ternary complexes have been calculated. Effect of some common interfering ions on determination of these lanthanide metal ions was studied. A simple, rapid and highly sensitive spectrophotometeric method has been proposed for the determination of metal ions understudy.

  9. Hydrogen storage as a hydride. Citations from the International Aerospace Abstracts data base

    Science.gov (United States)

    Zollars, G. F.

    1980-01-01

    These citations from the international literature concern the storage of hydrogen in various metal hydrides. Binary and intermetallic hydrides are considered. Specific alloys discussed are iron titanium, lanthanium nickel, magnesium copper and magnesium nickel among others.

  10. High performance gas adsorption and separation of natural gas in two microporous metal-organic frameworks with ternary building units.

    Science.gov (United States)

    Wang, Dongmei; Zhao, Tingting; Cao, Yu; Yao, Shuo; Li, Guanghua; Huo, Qisheng; Liu, Yunling

    2014-08-14

    Two novel MMOFs, JLU-Liu5 and JLU-Liu6, are based on ternary building units and exhibit high adsorption selectivity for CO2, C2H6 and C3H8 over CH4, which is attributed to steric effects and host-guest interactions. These MMOFs are promising materials for gas adsorption and natural gas purification.

  11. Hydrogen storage alloy electrode for a metal-hydride alkaline battery; Kinzoku-suisokabutsu arukari chikudenchiyo no suiso kyuzo gokin denkyoku

    Energy Technology Data Exchange (ETDEWEB)

    Matsuura, Y.; Kuroda, Y.; Higashiyama, N.; Kimoto, M.; Nogami, M.; Nishio, K.; Saito, T.

    1996-07-16

    This invention aims to present a hydrogen storage alloy electrode which gives a metal-hydride alkaline battery with a high discharge characteristics at an initial stage of the charge and discharge cycle and excellent charge and discharge cycle characteristics. Thin belt-like misch metal(Mm)-nickel hydrogen storage alloy lumps with a CaCu5 type crystal structure and with dissolved boron or carbon as replaced atoms of nickel in a supersaturated state are obtained by quenching and solidification of molten Mm-Ni hydrogen storage alloy with addition of boron or carbon in 0.005 to 0.150 molar ratio to 1 mole of Mm by a single or dual role method, and annealed in an inert gas or in vacuum at a temperature of 620 to 1000{degree}C for a prescribed time to separate out a boron compound as a second phase, followed by pulverization to produce the alloy powder which is used as a hydrogen storage alloy material. The presence of the second phase promotes cracking of the alloy at an early stage of the charge and discharge cycle and suppresses generation of fine powder in the following charge and discharge cycles. 2 figs., 5 tabs.

  12. Prediction of high-Tc conventional superconductivity in the ternary lithium borohydride system

    Science.gov (United States)

    Kokail, Christian; von der Linden, Wolfgang; Boeri, Lilia

    2017-12-01

    We investigate the superconducting ternary lithium borohydride phase diagram at pressures of 0 and 200 GPa using methods for evolutionary crystal structure prediction and linear-response calculations for the electron-phonon coupling. Our calculations show that the ground state phase at ambient pressure, LiBH4, stays in the P n m a space group and remains a wide band-gap insulator at all pressures investigated. Other phases along the 1 :1 :x Li:B:H line are also insulating. However, a full search of the ternary phase diagram at 200 GPa revealed a metallic Li2BH6 phase, which is thermodynamically stable down to 100 GPa. This superhydride phase, crystallizing in a F m 3 ¯m space group, is characterized by sixfold hydrogen-coordinated boron atoms occupying the fcc sites of the unit cell. Due to strong hydrogen-boron bonding this phase displays a critical temperature of ˜100 K between 100 and 200 GPa. Our investigations confirm that ternary compounds used in hydrogen-storage applications should exhibit high-Tc conventional superconductivity in diamond anvil cell experiments, and suggest a viable route to optimize the superconducting behavior of high-pressure hydrides, exploiting metallic covalent bonds.

  13. Surface modification of a proton exchange membrane and hydrogen storage in a metal hydride for fuel cells

    Science.gov (United States)

    Andrews, Lisa

    promising option. Effective hydrogen storage methods must be used as sources of available hydrogen. One possibility is to use hydrogen stored in a solid chemical compound such as magnesium hydride. The kinetics of hydrogen release from the hydrolysis of magnesium hydride with 2 wt% acetic acid was examined. The hydrogen produced was supplied to a fuel cell and the amount of hydrogen consumed by the fuel cell was determined. Carbon nanotubes also can play a role in energy sources and as components in fuel cells. VUV photo-oxidized single walled carbon nanotubes (SWNT) paper was grafted with polyacrylic acid and analyzed using XPS.

  14. 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.

  15. Hydrogen-storing hydride complexes

    Science.gov (United States)

    Srinivasan, Sesha S [Tampa, FL; Niemann, Michael U [Venice, FL; Goswami, D Yogi [Tampa, FL; Stefanakos, Elias K [Tampa, FL

    2012-04-10

    A ternary hydrogen storage system having a constant stoichiometric molar ratio of LiNH.sub.2:MgH.sub.2:LiBH.sub.4 of 2:1:1. It was found that the incorporation of MgH.sub.2 particles of approximately 10 nm to 20 nm exhibit a lower initial hydrogen release temperature of 150.degree. C. Furthermore, it is observed that the particle size of LiBNH quaternary hydride has a significant effect on the hydrogen sorption concentration with an optimum size of 28 nm. The as-synthesized hydrides exhibit two main hydrogen release temperatures, one around 160.degree. C. and the other around 300.degree. C., with the main hydrogen release temperature reduced from 310.degree. C. to 270.degree. C., while hydrogen is first reversibly released at temperatures as low as 150.degree. C. with a total hydrogen capacity of 6 wt. % to 8 wt. %. Detailed thermal, capacity, structural and microstructural properties have been demonstrated and correlated with the activation energies of these materials.

  16. Synthesis, characterization, DNA-binding study and anticancer properties of ternary metal(II) complexes of edda and an intercalating ligand.

    Science.gov (United States)

    Ng, Chew Hee; Kong, King Chow; Von, Sze Tin; Balraj, Pauline; Jensen, Paul; Thirthagiri, Eswary; Hamada, Hirokazu; Chikira, Makoto

    2008-01-28

    A series of ternary metal(ii) complexes {M(phen)(edda); 1a (Cu), 1b (Co), 1c (Zn), 1d (Ni); H(2)edda = N,N(')-ethylenediaminediacetic acid} of N,N'-ethylene-bridged diglycine and 1,10-phenanthroline were synthesized and characterized by elemental analysis, FTIR, UV-visible spectroscopy and magnetic susceptibility measurement. The interaction of these complexes with DNA was investigated using CD and EPR spectroscopy. MTT assay results of 1a-1c , screened on MCF-7 cancer cell lines, show that synergy between the metal and ligands results in significant enhancement of their antiproliferative properties. Preliminary results from apoptosis and cell cycle analyses with flow cytometry are reported. seems to be able to induce cell cycle arrest at G(0)/G(1). The crystal structure of 1a is also included.

  17. System and process for production of magnesium metal and magnesium hydride from magnesium-containing salts and brines

    Science.gov (United States)

    McGrail, Peter B.; Nune, Satish K.; Motkuri, Radha K.; Glezakou, Vassiliki-Alexandra; Koech, Phillip K.; Adint, Tyler T.; Fifield, Leonard S.; Fernandez, Carlos A.; Liu, Jian

    2016-11-22

    A system and process are disclosed for production of consolidated magnesium metal products and alloys with selected densities from magnesium-containing salts and feedstocks. The system and process employ a dialkyl magnesium compound that decomposes to produce the Mg metal product. Energy requirements and production costs are lower than for conventional processing.

  18. Fluorometric determination of aluminium (III) and cadmium (II) by solvent extraction of the ternary complex composed of metal ion, 8-hydroxy-5-quinolinesulfonic acid, and methyltrioctylammonium ion

    International Nuclear Information System (INIS)

    Kondoh, Yukihiro; Kataoka, Masamitsu; Kambara, Tomihito

    1982-01-01

    A fluorometric micro determination of aluminium (III) and cadmium (II) using the formation of metal-8-hydroxy-5-quinolinesulfonic acid-capriquat (methyltrioctylammonium) ternary complex is described. These complexes are easily extracted into chloroform phase and the extract emits a strong fluorescence. Spectra of aluminium (III) and cadmium (II) ternary complexes have the excitation maximum at 396 nm and 400 nm, and emission maximum at 501 nm and 524 nm, respectively. Fluorescence intensity of the aluminium (III) and cadmium (II) ternary complexes extracted into chloroform showed the constant and maximum values in the pH range of aqueous phase from 5.3 to 8.5 and 8.1 to 8.5, respectively. The calibration curves for aluminium (III) and cadmium (II) show good proportionality int the concentration range from 0.5 to 5.0 and 1.0 to 50.0 μg, respectively. The relative standard deviation observed with four measurements was found to be 1.8% for 0.5 μg of aluminium (III) and 1.1% for 10.0 μg of cadmium (II). The effect of diverse ions is studied and a 25-fold amount of Cu(II), Ni(II), Fe(II), Fe(III) in weight gave errors, however, the interferences were easily eliminated by the addition of appropriate masking agent. In the determination of cadmium (II), an equal amount of Co(II), Ni(II), Mn(II), Fe(III) and twice amount of Al(III) gave negative errors, however, the interference of Fe(III) and Al(III) were also eliminated as above. (author)

  19. Life cycle environmental assessment of lithium-ion and nickel metal hydride batteries for plug-in hybrid and battery electric vehicles.

    Science.gov (United States)

    Majeau-Bettez, Guillaume; Hawkins, Troy R; Strømman, Anders Hammer

    2011-05-15

    This study presents the life cycle assessment (LCA) of three batteries for plug-in hybrid and full performance battery electric vehicles. A transparent life cycle inventory (LCI) was compiled in a component-wise manner for nickel metal hydride (NiMH), nickel cobalt manganese lithium-ion (NCM), and iron phosphate lithium-ion (LFP) batteries. The battery systems were investigated with a functional unit based on energy storage, and environmental impacts were analyzed using midpoint indicators. On a per-storage basis, the NiMH technology was found to have the highest environmental impact, followed by NCM and then LFP, for all categories considered except ozone depletion potential. We found higher life cycle global warming emissions than have been previously reported. Detailed contribution and structural path analyses allowed for the identification of the different processes and value-chains most directly responsible for these emissions. This article contributes a public and detailed inventory, which can be easily be adapted to any powertrain, along with readily usable environmental performance assessments.

  20. Pyrophoric behaviour of uranium hydride and uranium powders

    Science.gov (United States)

    Le Guyadec, F.; Génin, X.; Bayle, J. P.; Dugne, O.; Duhart-Barone, A.; Ablitzer, C.

    2010-01-01

    Thermal stability and spontaneous ignition conditions of uranium hydride and uranium metal fine powders have been studied and observed in an original and dedicated experimental device placed inside a glove box under flowing pure argon. Pure uranium hydride powder with low amount of oxide (Oxidation mechanisms are proposed.

  1. Electrocatalytic hydride-forming compounds for rechageable batteries

    NARCIS (Netherlands)

    Notten, P.H.L.; Einerhand, R.E.F.

    1991-01-01

    Non-toxic intermetallic hydride-forming compounds are attractive alternatives to cadmium as the negative electrode materials in the new generation of Ni/metal hydride rechargeable batteries. High exchange currents and discharge efficiencies even at low temperatures can be achieved using highly

  2. Hydrogen-deuterium exchange of the anionic group 6B transition-metal hydrides. Convenient, in-situ-deuterium transfer reagents

    International Nuclear Information System (INIS)

    Gaus, P.L.; Kao, S.C.; Darensbourg, M.Y.; Arndt, L.W.

    1984-01-01

    The facile exchange of hydrogen for detuerium in the anionic group 6B carbonyl hydrides HM(CO) 4 L - (M = Cr, W; L = CO P(OMe) 3 ) has been studied in THF 4 (tetrahydrofuran) with CH 3 OD, D 2 O, and CH 3 CO 2 D. This has provided a synthesis of the deuterides, DM(CO) 4 L - , as well as a convenient in situ source of deuteride reducing reagents for organic halides. A number of such reductions are described, using 2 H NMR to demonstrate both selectivity and stereospecificity for certain systems. The carbonyl region of the infrared spectra of the hydrides is not affected by deuteration of the hydrides, suggesting that the M-H or M-D vibrational modes are not coupled significantly to CO vibrations in these hydrides. The mechanism of the H/D exchange and of a related H 2 elimination reaction is discussed

  3. An anti CuO{sub 2}-type metal hydride square net structure in Ln{sub 2}M{sub 2}As{sub 2}H{sub x} (Ln = La or Sm, M = Ti, V, Cr, or Mn)

    Energy Technology Data Exchange (ETDEWEB)

    Mizoguchi, Hiroshi; Park, SangWon; Hosono, Hideo [Tokyo Institute of Technology, Yokohama (Japan). Materials Research Center for Element Strategy; Hiraka, Haruhiro; Ikeda, Kazutaka; Otomo, Toshiya [High-Energy Accelerator Research Organization (KEK), Tsukuba (Japan). Inst. of Materials Structure Science

    2015-03-02

    Using a high pressure technique and the strong donating nature of H{sup -}, a new series of tetragonal La{sub 2}Fe{sub 2}Se{sub 2}O{sub 3}-type layered mixed-anion arsenides, Ln{sub 2}M{sub 2}As{sub 2}H{sub x}, was synthesized (Ln=La or Sm, M=Ti, V, Cr, or Mn; x∼3). In these compounds, an unusual M{sub 2}H square net, which has anti CuO{sub 2} square net structures accompanying two As{sup 3-} ions, is sandwiched by (LaH){sub 2} fluorite layers. Notably, strong metal-metal bonding with a distance of 2.80 Aa was confirmed in La{sub 2}Ti{sub 2}As{sub 2}H{sub 2.3}, which has metallic properties. In fact, these compounds are situated near the boundary between salt-like ionic hydrides and transition-metal hydrides with metallic characters.

  4. An anti CuO{sub 2}-type metal hydride square net structure in Ln{sub 2}M{sub 2}As{sub 2}H{sub x} (Ln = La or Sm, M = Ti, V, Cr, or Mn)

    Energy Technology Data Exchange (ETDEWEB)

    Mizoguchi, Hiroshi; Park, SangWon; Hosono, Hideo [Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama 226-8503 (Japan); Hiraka, Haruhiro; Ikeda, Kazutaka; Otomo, Toshiya [Institute of Materials Structure Science, High-Energy Accelerator Research Organization (KEK), Tsukuba 305-0801 (Japan)

    2015-03-02

    Using a high pressure technique and the strong donating nature of H{sup -}, a new series of tetragonal La{sub 2}Fe{sub 2}Se{sub 2}O{sub 3}-type layered mixed-anion arsenides, Ln{sub 2}M{sub 2}As{sub 2}H{sub x}, was synthesized (Ln=La or Sm, M=Ti, V, Cr, or Mn; x∼3). In these compounds, an unusual M{sub 2}H square net, which has anti CuO{sub 2} square net structures accompanying two As{sup 3-} ions, is sandwiched by (LaH){sub 2} fluorite layers. Notably, strong metal-metal bonding with a distance of 2.80 Aa was confirmed in La{sub 2}Ti{sub 2}As{sub 2}H{sub 2.3}, which has metallic properties. In fact, these compounds are situated near the boundary between salt-like ionic hydrides and transition-metal hydrides with metallic characters. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. The growth of crystals of erbium hydride

    International Nuclear Information System (INIS)

    Grimshaw, J.A.; Spooner, F.J.; Wilson, C.G.; McQuillan, A.D.

    1981-01-01

    Crystals of the rare-earth hydride ErH 2 have been produced with face areas greater than a square millimetre and corresponding volumes exceeding those of earlier crystals by orders of magnitude. The hydride, which was produced in bulk polycrystalline form by hydriding erbium metal at 950 0 C, has been examined by optical and X-ray techniques. For material of composition ErH 2 and ErHsub(1.8) the size of the grains and their degree of strain appears to depend more on oxygen contamination during formation and on the subsequent cooling procedure, than on the size of erbium metal crystals in the starting material. (author)

  6. Preparation of beryllium hydride

    International Nuclear Information System (INIS)

    Roberts, C.B.

    1975-01-01

    A process is described for preparing beryllium hydride by the direct reaction of beryllium borohydride and aluminum hydride trimethylamine adduct. Volatile by-products and unreacted reactants are readily removed from the product mass by sublimation and/or evaporation. (U.S.)

  7. An air-breathing single cell small proton exchange membrane fuel cell system with AB5-type metal hydride and an ultra-low voltage input boost converter

    Energy Technology Data Exchange (ETDEWEB)

    Akiyama, Kazuya; Matsumoto, Satoshi; Miyasaka, Akihiro; Shodai, Takahisa [NTT Energy and Environment System Laboratories, 3-1 Morinosato-Wakamiya Atsugi-shi, Kanagawa (Japan)

    2009-01-01

    A new strategy for increasing the power density of an air-breathing small proton exchange membrane fuel cell (PEMFC) system for the main energy source of portable consumer electronics is presented. The small PEMFC system is composed of a single cell. Utilizing the output voltage of the single cell, we introduce a newly designed ultra-low voltage input boost converter. The boost converter can generate 4.1 V output from input sources with low voltage ranges, such as under 1.0 V. The cathode plate is made from a thin SUS 316L stainless steel plate and has ribs that prevent the cathode from bending. The hydrogen is supplied by a metal hydride (MH) tank cartridge. The MH tank contains highly packed AB5-type MH. The MH tank cartridge has a volume of 13.2 cm{sup 3} and can absorb 6.7 L of hydrogen. The maximum power of the small PEMFC is 4.42 W at room temperature. Using 6.7 L of hydrogen, the small PEMFC can generate 11 Wh of electricity. The power density of the small PEMFC reaches 0.51 Wh cm{sup -3}. And the power density of the whole small PEMFC system, which contains the boost converter, a small Li-ion battery for a load absorber, and a case for the system, reaches 0.14 Wh cm{sup -3}. This value matches that of external Li-ion battery chargers for cell phones. We installed the small PEMFC system in a cell phone and confirmed the operations of calling, receiving, videophone, connecting to the Internet, and watching digital TV. And also confirmed that the small PEMFC system provides approximately 8.25 h of talk time, which is about three times as long as that for the original Li-ion battery. (author)

  8. First-principles study on half-metallic ferromagnetic properties of Zn{sub 1-x}V{sub x}Se ternary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Khatta, Swati; Tripathi, S.K.; Prakash, Satya [Panjab University, Central of Advanced Study in Physics, Department of Physics, Chandigarh (India)

    2017-09-15

    The spin-polarised density functional theory along with self-consistent plane-wave pseudopotential is used to investigate the half-metallic ferromagnetic properties of ternary alloys Zn{sub 1-x}V{sub x}Se. The generalized gradient approximation is used for exchange-correlation potential. The equilibrium lattice constants, bulk modulus, and its derivatives are calculated. The calculated spin-polarised energy-band structures reveal that these alloys are half-metallic for x = 0.375 and 0.50 and nearly half-metallic for other values of x. The estimated direct and indirect bandgaps may be useful for the magneto-optical absorption experiments. It is found that there is strong Zn 4s, Se 4p, and V 3d orbital hybridization in the conduction bands of both the spins, while Se 4p and V 3d orbital hybridization predominates in the valence bands of both the spins. The s, p-d, and p-d orbital hybridization reduces the local magnetic moment of V atoms and small local magnetic moments are produced on Zn and Se atoms which get coupled with V atoms in ferromagnetic and antiferromagnetic phases, respectively. The conduction and valence-band-edge splittings and exchange constants predict the ferromagnetism in these alloys. The conduction band-impurity (s and p-d) exchange interaction is more significant for ferromagnetism in these alloys than the valence band-impurity (p-d) exchange interaction. (orig.)

  9. Characterization of carbon, nitrogen, oxygen and refractory metals in binary and ternary silicon-based films using ion beam methods

    International Nuclear Information System (INIS)

    Somatri-Bouamrane, R.

    1996-01-01

    Ion beam methods (non Rutherford backscattering, nuclear reactions) have been carried out in order to characterize silicon-based films. The cross sections for the reactions 12 C(α,α), 14 N(α,α), 16 O(α,α), 28 Si(α,α) and 14 N(α,p) have been measured within 2 and 7 MeV. CVD beta SiC films could be analyzed and the interface between silicon carbide and the (100) silicon substrate was studied. The epitaxial growth of the beta SiC film could be modelled by comparing the results obtained with ion beam analysis, infrared spectroscopy and electron microscopy. Moreover, the stoichiometry of low pressure CVD Me-Si-N (Me=Re, W, Ti, Ta) ternary systems was studied. The evolution of the nitrogen content in W-Si-N systems allowed to study their stability with respect to the annealing conditions. (N.T.)

  10. Boron-Based Hydrogen Storage: Ternary Borides and Beyond

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-04-28

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

  11. Effect of the La/Mg ratio on the structure and electrochemical properties of La xMg 3- xNi 9 ( x=1.6-2.2) hydrogen storage electrode alloys for nickel-metal hydride batteries

    Science.gov (United States)

    Liao, B.; Lei, Y. Q.; Chen, L. X.; Lu, G. L.; Pan, H. G.; Wang, Q. D.

    Effect of La/Mg ratio on the structure and electrochemical properties of La xMg 3- xNi 9 ( x=1.6-2.2) ternary alloys was investigated. All alloys are consisted of a main phase with hexagonal PuNi 3-type structure and a few impurity phases (mainly LaNi 5 and MgNi 2). The increase of La/Mg ratio in the alloys leads to an increase in both the cell volume and the hydride stability. The discharge capacity of the alloys at 100 mA/g increases with the increase of La/Mg ratio and passes though a maximum of 397.5 mAh/g at x=2.0. As the La/Mg ratio increases, the high-rate dischargeability of the alloy electrodes at 1200 mA/g HRD 1200 decreases from 66.7% ( x=1.6) to 26.5% ( x=2.2). The slower decrease of HRD 1200 (from 66.7 to 52.7%) of the alloys with x=1.6-2.0 is mainly attributed to the decrease of electrocatalytic activity of the alloys for charge-transfer reaction, the more rapid decrease of HRD 1200 of the alloys with x>2.0 is mainly attributed to the lowering of the hydrogen diffusion rate in the bulk of alloy. The cycling capacity degradation of the alloys is rather fast for practical application due to the corrosion of La and Mg and the large VH in the hydride phase.

  12. Design and Fabricate a Metallic Hydride Heat Pump with a Cooling Capacity of 9000 BTU/H

    Science.gov (United States)

    1989-02-07

    al-,’’’n e u’ I -n~ 1’r - t 31 al h,3 ) X harg .jor ~~ A-i 1 3Z art , > E u 1i qt ex !a .er kj 5i~ iu Sect-onal View of Hydri -de *0 3 c -x:"uding the...previus hydrie heat minutes, but can De varied from 30 sec, up to 10 transfer systems. The tubular nature of the de- mmn. _vice enables water that is...8217 iriding Kinetics", The ’an’t licf ecuaion. --an thtrfr be Journal of the Less-Common Metals, -(1983) t0 predict h-.d:rcoe p-ressure and,’or hydri u

  13. Solid state electrolyte composites based on complex hydrides and metal doped fullerenes/fulleranes for batteries and electrochemical applications

    Science.gov (United States)

    Zidan, Ragaiy; Teprovich, Jr., Joseph A.; Colon-Mercado, Hector R.; Greenway, Scott D.

    2018-05-01

    A LiBH4--C60 nanocomposite that displays fast lithium ionic conduction in the solid state is provided. The material is a homogenous nanocomposite that contains both LiBH4 and a hydrogenated fullerene species. In the presence of C60, the lithium ion mobility of LiBH4 is significantly enhanced in the as prepared state when compared to pure LiBH4. After the material is annealed the lithium ion mobility is further enhanced. Constant current cycling demonstrated that the material is stable in the presence of metallic lithium electrodes. The material can serve as a solid state electrolyte in a solid-state lithium ion battery.

  14. Magnesium hydrides and their phase transitions

    Czech Academy of Sciences Publication Activity Database

    Paidar, Václav

    2016-01-01

    Roč. 41, č. 23 (2016), s. 9769-9773 ISSN 0360-3199 R&D Projects: GA MŠk(CZ) LD13069 Institutional support: RVO:68378271 Keywords : hydrogen * magnesium and transition metal hydrides * crystal structure stability * displacive phase transformations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.582, year: 2016

  15. FY1995 study of aid system for the elderly and the disabled using metal hydride alloy actuators; 1995 nendo suiso kyuzo gokingata actuator ni yoru kaijo shien system no kaihatsu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-03-01

    Purpose of the project is to develop a transfer aid system for the elderly who need assistance in moving from a bed or a chair. It can make up insufficiency of assistant persons and can help to comfortably move the elderly. It has the highest demand in rehabilitation centers or hospitals. We have been designing an actuator using a metal hydride alloy for more than ten years and have confirmed that the actuator is very useful for developing the transfer. Furthermore, we have designed the transfer from a view point of human interfaces. This research was done under the above background. 1. We studied a comfortable posture for the elderly at an initial phase of standing to design the optimal knee pad using a life-size model of a transfer. Especially, we managed to lighten the burden imposed on the elderly by referring electromyographic signals at lower limbs and ground reaction forces. 2. Since the tactile sensation of the bottom of elderly person's foot gets dull, we designed a foot stage to prevent the elderly from the dull. 3. We determined the optimal mixture rate of a metal hydride alloy and developed an elastic bellows in order to design the actuator used for the transfer aid. 4. We determined the optimal compliance to prevent the elderly from a mechanical shock and designed a mechanism so that the transfer aid can work well. 5. Based on the above results, we developed the transfer aid using the metal hydride actuator. It was ascertained that it can lift a elderly person with 80kg weight by using only 40g alloy. Furthermore, it is proved that the transfer is not heavy (about 20g weight), small, silent, and moves smoothly by a battery on the market. (NEDO)

  16. DFT modeling of the electronic and magnetic structures and chemical bonding properties of intermetallic hydrides

    International Nuclear Information System (INIS)

    Al Alam, A.F.

    2009-06-01

    This thesis presents an ab initio study of several classes of intermetallics and their hydrides. These compounds are interesting from both a fundamental and an applied points of view. To achieve this aim two complementary methods, constructed within the DFT, were chosen: (i) pseudo potential based VASP for geometry optimization, structural investigations and electron localization mapping (ELF), and (ii) all-electrons ASW method for a detailed description of the electronic structure, chemical bonding properties following different schemes as well as quantities depending on core electrons such as the hyperfine field. A special interest is given with respect to the interplay between magneto-volume and chemical interactions (metal-H) effects within the following hydrided systems: binary Laves (e.g. ScFe 2 ) and Haucke (e.g. LaNi 5 ) phases on one hand, and ternary cerium based (e.g. CeRhSn) and uranium based (e.g. U 2 Ni 2 Sn) alloys on the other hand. (author)

  17. Zirconium hydride containing explosive composition

    Science.gov (United States)

    Walker, Franklin E.; Wasley, Richard J.

    1981-01-01

    An improved explosive composition is disclosed and comprises a major portion of an explosive having a detonation velocity between about 1500 and 10,000 meters per second and a minor amount of a donor additive comprising a non-explosive compound or mixture of non-explosive compounds which when subjected to an energy fluence of 1000 calories/cm.sup.2 or less is capable of releasing free radicals each having a molecular weight between 1 and 120. Exemplary donor additives are dibasic acids, polyamines and metal hydrides.

  18. Preferred hydride growth orientations on oxide-coated gadolinium surfaces

    International Nuclear Information System (INIS)

    Benamar, G.M.; Schweke, D.; Kimmel, G.; Mintz, M.H.

    2012-01-01

    Highlights: ► The preferred hydride growth orientations on gadolinium metal coated by a thin oxide layer are presented. ► A preferred growth of the (1 0 0) h plane of the face centered cubic (FCC) GdH 2 is observed for the hydride spots forming below the oxidation layer. ► A change to the (1 1 1) h plane of the cubic hydride dominates for the hydride's Growth Centers. ► The texture change is attributed to the surface normal compressive stress component exerted by the oxidation layer on the developing hydride. - Abstract: The initial development of hydrides on polycrystalline gadolinium (Gd), as on some other hydride forming metals, is characterized by two sequential steps. The first step involves the rapid formation of a dense pattern of small hydride spots (referred to as the “small family” of hydrides) below the native oxidation layer. The second stage takes place when some of the “small family” nucleants (referred to as “growth centers”, GCs) break the oxide layer, leading to their rapid growth and finally to the massive hydriding of the sample. In the present study, the texture of the two hydride families was studied, by combining X-ray diffraction (XRD) analysis with a microscopic analysis of the hydride, using scanning electron microscopy (SEM) and atomic force microscopy (AFM). It has been observed that for the “small family”, a preferred growth of the (1 0 0) h plane of the cubic GdH 2 takes place, whereas for the GCs, a change to the (1 1 1) h plane of the cubic hydride dominates. These preferred growth orientations were analyzed by their structure relation with the (0 0 .1) m basal plane of the Gd metal. It has been concluded that the above texture change is due to the surface normal compressive stress component exerted by the oxidation overlayer on the developing hydride, preventing the (0 0 .1) m ||(1 1 1) h growth orientation. This stress is relieved upon the rupture of that overlayer and the development of the GCs, leading to

  19. Obtaining zircaloy powder through hydriding

    International Nuclear Information System (INIS)

    Dupim, Ivaldete da Silva; Moreira, Joao M.L.

    2009-01-01

    Zirconium alloys are good options for the metal matrix in dispersion fuels for power reactors due to their low thermal neutron absorption cross-section, good corrosion resistance, good mechanical strength and high thermal conductivity. A necessary step for obtaining such fuels is producing Zr alloy powder for the metal matrix composite material. This article presents results from the Zircaloy-4 hydrogenation tests with the purpose to embrittle the alloy as a first step for comminuting. Several hydrogenation tests were performed and studied through thermogravimetric analysis. They included H 2 pressures of 25 and 50 kPa and temperatures ranging between from 20 to 670 deg C. X-ray diffraction analysis showed in the hydrogenated samples the predominant presence of ZrH 2 and some ZrO 2 . Some kinetics parameters for the Zircaloy-4 hydrogenation reaction were obtained: the time required to reach the equilibrium state at the dwell temperature was about 100 minutes; the hydrogenation rate during the heating process from 20 to 670 deg C was about 21 mg/h, and at constant temperature of 670 deg C, the hydride rate was about 1.15 mg/h. The hydrogenation rate is largest during the heating process and most of it occurs during this period. After hydrogenated, the samples could easily be comminuted indicating that this is a possible technology to obtain Zircaloy powder. The results show that only few minutes of hydrogenation are necessary to reach the hydride levels required for comminuting the Zircaloy. The final hydride stoichiometry was between 2.7 and 2.8 H for each Zr atom in the sample (author)

  20. Hydrogen absorbing alloy electrode for metal-hydride alkali storage battery and hydrogen absorbing particles for metal-hydride alkali storage battery; Kinzoku-suisokabutsu arukari chikudenchiyo no suiso kyuzo gokin denkyoku oyobi kinzoku-suisokabutsu arukari chikudenchiyo no suiso kyuzo gokin ryushi

    Energy Technology Data Exchange (ETDEWEB)

    Niiyama, K.; Konno, Y.; Maeda, R.; Nogami, K.; Nishio, K.; Saito, T.

    1996-02-02

    For preventing degradation due to oxidation of hydrogen absorbing alloy to elongate the life of batteries, a proposal has been made to coat the surface of hydrogen absorbing alloy with electroless nickel plated film. When the surfaces of hydrogen absorbing alloy particles are coated with such electroless nickel plated films having low phosphoric acid content, however, absorption of the oxygen gas produced by overcharge delays to increase the pressure inside the battery because the plated film is unporous dense coat with high crystallinity. This invention relates to phosphoric acid containment in the ratios from 11 to 14wt% in the electroless nickel plated layer of the hydrogen absorbing alloy electrode for the metal-hydride alkali storage battery. Long time is required for the initial activation when the phosphoric acid content is less than 11wt% because the crystallinity of the plated film is too high and forms a dense unporous film. On the other hand, the plated film becomes brittle and tends to peel off from the hydrogen absorbing alloy if phosphoric acid content exceeds 14wt%. 3 figs., 2 tabs.

  1. Glass-forming ability and stability of ternary Ni-early transition metal (Ti/Zr/Hf) alloys

    Energy Technology Data Exchange (ETDEWEB)

    Basu, Joysurya [Department of Metallurgy, Indian Institute of Science, Bangalore 560 012 (India); Ranganathan, S. [Department of Metallurgy, Indian Institute of Science, Bangalore 560 012 (India)]. E-mail: rangu@met.iisc.ernet.in

    2006-08-15

    Four Ni-bearing Ti, Zr and Hf ternary alloys of nominal composition Zr{sub 41.5}Ti{sub 41.5}Ni{sub 17}, Zr{sub 25}Ti{sub 25}Ni{sub 50}, Zr{sub 41.5}Hf{sub 41.5}Ni{sub 17} and Ti{sub 41.5}Hf{sub 41.5}Ni{sub 17} were rapidly solidified in order to produce ribbons. The Zr-Ti-Ni and Ti-Hf-Ni alloys become amorphous, whereas the Zr-Hf-Ni alloy shows precipitation of a cubic phase. The devitrification of all three alloys was followed and the relative tendency to form nanoquasicrystals and cF96 phases analysed. The relative glass-forming ability of the alloys can be explained by taking into account their atomic size difference. Addition of Ni often leads to quasicrystallisation or quasicrystal-related phases. This can be explained by the atomic radius and heat of mixing of the constituent elements. The phases precipitated at the initial stages of crystallisation indicate the possible presence of Frank-Kasper polyhedral structure in the amorphous alloys. Structural analysis reveals that the Laves and the anti-Laves phases have the same polyhedral structural unit, which is similar to the structural characteristics of glass.

  2. Regenerative Hydride Heat Pump

    Science.gov (United States)

    Jones, Jack A.

    1992-01-01

    Hydride heat pump features regenerative heating and single circulation loop. Counterflow heat exchangers accommodate different temperatures of FeTi and LaNi4.7Al0.3 subloops. Heating scheme increases efficiency.

  3. Growth and decomposition of Lithium and Lithium hydride on Nickel

    DEFF Research Database (Denmark)

    Engbæk, Jakob; Nielsen, Gunver; Nielsen, Jane Hvolbæk

    2006-01-01

    In this paper we have investigated the deposition, structure and decomposition of lithium and lithium-hydride films on a nickel substrate. Using surface sensitive techniques it was possible to quantify the deposited Li amount, and to optimize the deposition procedure for synthesizing lithium......-hydride films. By only making thin films of LiH it is possible to study the stability of these hydride layers and compare it directly with the stability of pure Li without having any transport phenomena or adsorbed oxygen to obscure the results. The desorption of metallic lithium takes place at a lower...... temperature than the decomposition of the lithium-hydride, confirming the high stability and sintering problems of lithium-hydride making the storage potential a challenge. (c) 2006 Elsevier B.V. All rights reserved....

  4. pH-specific hydrothermal assembly of binary and ternary Pb(II)-(O,N-carboxylic acid) metal organic framework compounds: correlation of aqueous solution speciation with variable dimensionality solid-state lattice architecture and spectroscopic signatures.

    Science.gov (United States)

    Gabriel, C; Perikli, M; Raptopoulou, C P; Terzis, A; Psycharis, V; Mateescu, C; Jakusch, T; Kiss, T; Bertmer, M; Salifoglou, A

    2012-09-03

    Hydrothermal pH-specific reactivity in the binary/ternary systems of Pb(II) with the carboxylic acids N-hydroxyethyl-iminodiacetic acid (Heida), 1,3-diamino-2-hydroxypropane-N,N,N',N'-tetraacetic acid (Dpot), and 1,10-phenanthroline (Phen) afforded the new well-defined crystalline compounds [Pb(Heida)](n)·nH(2)O(1), [Pb(Phen)(Heida)]·4H(2)O(2), and [Pb(3)(NO(3))(Dpot)](n)(3). All compounds were characterized by elemental analysis, FT-IR, solution or/and solid-state NMR, and single-crystal X-ray diffraction. The structures in 1-2 reveal the presence of a Pb(II) center coordinated to one Heida ligand, with 1 exhibiting a two-dimensional (2D) lattice extending to a three-dimensional (3D) one through H-bonding interactions. The concurrent aqueous speciation study of the binary Pb(II)-Heida system projects species complementing the synthetic efforts, thereby lending credence to a global structural speciation strategy in investigating binary/ternary Pb(II)-Heida/Phen systems. The involvement of Phen in 2 projects the significance of nature and reactivity potential of N-aromatic chelators, disrupting the binary lattice in 1 and influencing the nature of the ultimately arising ternary 3D lattice. 3 is a ternary coordination polymer, where Pb(II)-Dpot coordination leads to a 2D metal-organic-framework material with unique architecture. The collective physicochemical properties of 1-3 formulate the salient features of variable dimensionality metal-organic-framework lattices in binary/ternary Pb(II)-(hydroxy-carboxylate) structures, based on which new Pb(II) materials with distinct architecture and spectroscopic signature can be rationally designed and pursued synthetically.

  5. Finite difference program for calculating hydride bed wall temperature profiles

    International Nuclear Information System (INIS)

    Klein, J.E.

    1992-01-01

    A QuickBASIC finite difference program was written for calculating one dimensional temperature profiles in up to two media with flat, cylindrical, or spherical geometries. The development of the program was motivated by the need to calculate maximum temperature differences across the walls of the Tritium metal hydrides beds for thermal fatigue analysis. The purpose of this report is to document the equations and the computer program used to calculate transient wall temperatures in stainless steel hydride vessels. The development of the computer code was motivated by the need to calculate maximum temperature differences across the walls of the hydrides beds in the Tritium Facility for thermal fatigue analysis

  6. Ductile zirconium powder by hydride-dehydride process

    Energy Technology Data Exchange (ETDEWEB)

    Krishnan, T S [BHABHA ATOMIC RESEARCH CENTRE, BOMBAY (INDIA); CHAUDHARY, S [NUCLEAR FUEL COMPLEX, HYDERABAD (INDIA)

    1976-09-01

    The preparation of ductile zirconium powder by the hydride-dehydride process has been described. In this process massive zirconium obtained from Kroll reduction of ZrCl/sub 4/ is first rendered brittle by hydrogenation and the hydride crushed and ground in a ball mill to the required particle size. Hydrogen is then hot vacuum extracted to yield the metal powder. The process has been successfully employed for the production of zirconium powders with low oxygen content and having hardness values in the range of 115-130 BHN, starting from a zirconium sponge of 100-120 BHN hardness. Influence of surface characteristics of the starting metal on its hydriding behaviour has been studied and the optimum hydriding-dehydriding conditions established.

  7. New ternary superconducting germanides

    Science.gov (United States)

    Moschalkov, V. V.; Muttik, I. G.; Samarin, N. A.; Seropegin, Yu. D.; Rudometkina, M. V.

    1991-12-01

    We have studied the structure, electrical and magnetic properties of new ternary compounds with germanium and transition metals of IV and V groups (Ti 0.7V 0.3Ge 3, Hf 2V 3Ge, Zr 32-36V 32-36Ge 30-32, Hf 2Nb 3Ge 4, HfVGe, Zr 15-17V 39-40Ge 44-45, Hf 10.8-21.7V 36.0-42.8). The homogeneity fields for all new phases are determined. Resistivity (T) and magnetic susceptibility χ(T) are investigated at T=4.2…300 K. Two new superconductors have been found - Zr 32-36V 32-36Ge 30-32 and HfVGe with T c=4.7 K and 5.7 K, respectively.

  8. Controlling the hydrogenolysis of silica-supported tungsten pentamethyl leads to a class of highly electron deficient partially alkylated metal hydrides

    KAUST Repository

    Maity, Niladri; Barman, Samir; Callens, Emmanuel; Samantaray, Manoja K.; Abou-Hamad, Edy; Minenkov, Yury; D'Elia, Valerio; Hoffman, Adam S.; Widdifield, Cory M.; Cavallo, Luigi; Gates, Bruce C.; Basset, Jean-Marie

    2015-01-01

    The well-defined single-site silica-supported tungsten complex [([triple bond, length as m-dash]Si–O–)W(Me)5], 1, is an excellent precatalyst for alkane metathesis. The unique structure of 1 allows the synthesis of unprecedented tungsten hydrido methyl surface complexes via a controlled hydrogenolysis. Specifically, in the presence of molecular hydrogen, 1 is quickly transformed at −78 °C into a partially alkylated tungsten hydride, 4, as characterized by 1H solid-state NMR and IR spectroscopies. Species 4, upon warming to 150 °C, displays the highest catalytic activity for propane metathesis yet reported. DFT calculations using model systems support the formation of [([triple bond, length as m-dash]Si–O–)WH3(Me)2], as the predominant species at −78 °C following several elementary steps of hydrogen addition (by σ-bond metathesis or α-hydrogen transfer). Rearrangement of 4 occuring between −78 °C and room temperature leads to the formation of an unique methylidene tungsten hydride [([triple bond, length as m-dash]Si–O–)WH3([double bond, length as m-dash]CH2)], as determined by solid-state 1H and 13C NMR spectroscopies and supported by DFT. Thus for the first time, a coordination sphere that incorporates both carbene and hydride functionalities has been observed.

  9. Controlling the hydrogenolysis of silica-supported tungsten pentamethyl leads to a class of highly electron deficient partially alkylated metal hydrides

    KAUST Repository

    Maity, Niladri

    2015-11-30

    The well-defined single-site silica-supported tungsten complex [([triple bond, length as m-dash]Si–O–)W(Me)5], 1, is an excellent precatalyst for alkane metathesis. The unique structure of 1 allows the synthesis of unprecedented tungsten hydrido methyl surface complexes via a controlled hydrogenolysis. Specifically, in the presence of molecular hydrogen, 1 is quickly transformed at −78 °C into a partially alkylated tungsten hydride, 4, as characterized by 1H solid-state NMR and IR spectroscopies. Species 4, upon warming to 150 °C, displays the highest catalytic activity for propane metathesis yet reported. DFT calculations using model systems support the formation of [([triple bond, length as m-dash]Si–O–)WH3(Me)2], as the predominant species at −78 °C following several elementary steps of hydrogen addition (by σ-bond metathesis or α-hydrogen transfer). Rearrangement of 4 occuring between −78 °C and room temperature leads to the formation of an unique methylidene tungsten hydride [([triple bond, length as m-dash]Si–O–)WH3([double bond, length as m-dash]CH2)], as determined by solid-state 1H and 13C NMR spectroscopies and supported by DFT. Thus for the first time, a coordination sphere that incorporates both carbene and hydride functionalities has been observed.

  10. Understanding hydride formation in Zr-1Nb alloy through microstructural characterization

    International Nuclear Information System (INIS)

    Neogy, S.; Srivastava, D.; Tewari, R.; Singh, R.N.; Dey, G.K.; De, P.K.; Banerjee, S.

    2003-07-01

    In this study the experimental results of hydride formation and their microstructure evolution in Zr-1Nb alloy is presented. This Zr-1Nb binary alloy and other Zr-1 Nb based ternary and quaternary alloys are being used as fuel tube materials and have the potential for meeting the requirement of high burn up fuel. Hydriding of Zr-1Nb alloy having a microstructure comprising equiaxed α grains and a uniform distribution of spherical particles of the β phase has been carried out in this study. The specimens have been hydrided by gaseous charging method to different hydrogen levels. The microstructures of hydrided samples were examined as a function of hydrogen content. The formation of δ hydride in slow cooled specimens and formation of γ hydride in rapidly cooled specimens has been studied with their morphology, habit plane and orientation relationship with the α matrix in view. The habit planes of either type of hydride phase has been determined and compared with those observed in other Zr-Nb alloys. The orientation relationship between the α matrix and the δ hydride was found to be the following: (0001) α // (111) δ and [1120] α // [110] δ . The orientation relationship between the α matrix and the γ hydride was of the following type: (0001) α // (111) γ and [1120] α // [110] γ . The internal structure of both types of hydride has been examined. The effect of the presence of the spherical β phase particles in the a matrix on the growth of the hydride plates has been investigated. (author)

  11. Preparation of beryllium hydride

    International Nuclear Information System (INIS)

    Lowrance, B.R.

    1975-01-01

    A process is described for the preparation of beryllium hydride which comprises pyrolyzing, while in solution in a solvent inert under the reaction conditions, with respect to reactants and products and at a temperature in the range of about 100 0 to about 200 0 C, sufficient to result in the formation of beryllium hydride, a di-t-alkyl beryllium etherate wherein each tertiary alkyl radical contains from 4 to 20 carbon atoms. The pyrolysis is carried out under an atmosphere inert under the reaction conditions, with respect to reactants and products. (U.S.)

  12. Large scale simulations of the mechanical properties of layered transition metal ternary compounds for fossil energy power system applications

    Energy Technology Data Exchange (ETDEWEB)

    Ching, Wai-Yim [Univ. of Missouri, Kansas City, MO (United States)

    2014-12-31

    Advanced materials with applications in extreme conditions such as high temperature, high pressure, and corrosive environments play a critical role in the development of new technologies to significantly improve the performance of different types of power plants. Materials that are currently employed in fossil energy conversion systems are typically the Ni-based alloys and stainless steels that have already reached their ultimate performance limits. Incremental improvements are unlikely to meet the more stringent requirements aimed at increased efficiency and reduce risks while addressing environmental concerns and keeping costs low. Computational studies can lead the way in the search for novel materials or for significant improvements in existing materials that can meet such requirements. Detailed computational studies with sufficient predictive power can provide an atomistic level understanding of the key characteristics that lead to desirable properties. This project focuses on the comprehensive study of a new class of materials called MAX phases, or Mn+1AXn (M = a transition metal, A = Al or other group III, IV, and V elements, X = C or N). The MAX phases are layered transition metal carbides or nitrides with a rare combination of metallic and ceramic properties. Due to their unique structural arrangements and special types of bonding, these thermodynamically stable alloys possess some of the most outstanding properties. We used a genomic approach in screening a large number of potential MAX phases and established a database for 665 viable MAX compounds on the structure, mechanical and electronic properties and investigated the correlations between them. This database if then used as a tool for materials informatics for further exploration of this class of intermetallic compounds.

  13. Superconductivity in Ternary Rare-Earth Transition Metal Silicides and Germanides with the SCANDIUM(5) COBALT(4) SILICON(10)-TYPE Structure.

    Science.gov (United States)

    Berg, Linda Sue

    A systematic study of the superconducting and normal state properties of some ternary rare earth transition metal silicides and germanides of the Sc(,5)Co(,4)Si(,10) -type is reported in this work. Low temperature heat capacity measurements indicate the presence of a complicated phonon density of states in these structurally complex compounds. A better description of the phonon spectrum of the high T(,c) materials, Sc(,5)Rh(,4)Si(,10), Sc(,5)Ir(,4)Si(,10), and Y(,5)Os(,4)Ge(,10), given by a model proposed by Junod et al.('1), is presented and discussed. The large values of (DELTA)C/(gamma)(,n)T(,c) and the electron-phonon coupling constant for these high T(,c) compounds indicate that they are strong-coupled superconductors. Relative to other ternary superconductors, many of these materials have large Debye temperatures. The BSC theory does not seem to afford an adequate description of the supercon- ducting state in these compounds. DC electrical resistivity measurements on these compounds show resistivity behaviors deviating from those exhibited by simple metals. The (rho)(T) data for Y(,5)Ir(,4)Si(,10), Lu(,5)Rh(,4)Si(,10), Lu(,5)Ir(,4)Si(,10), and Y(,5)Os(,4)Ge(,10), indicate the presence of anomalies. Static molar magnetic susceptibility measurements performed on these compounds indicate (1) a small effective magnetic moment of 0.26(mu)(,B) on the Co atom and (2) anomalous behaviors in the Lu(,5)Rh(,4)Si(,10), Lu(,5)Ir(,4)Si(,10), Y(,5)Ir(,4)Si(,10), Lu(,5)Ir(,4)Ge(,10), and Y(,5)Rh(,4)Ge(,10) data. It is suggested that the same mechanism, namely, the forma- tion of a charge- or spin-density wave, is causing the anomalous behaviors in both the resistivity and susceptibility data. Lastly, upper critical magnetic field measurements were performed on Sc(,5)Co(,4)Si(,10), Sc(,5)Rh(,4)Si(,10), Sc(,5)Ir(,4)Si(,10), Lu(,5)Rh(,4)Si(,10), Lu(,5)Ir(,4)Si(,10), and Y(,5)Os(,4)Ge(,10). Relative to the other five samples, Y(,5)Os(,4)Ge(,10) exhibits very high values for (-d

  14. Covalent bonding and band-gap formation in ternary transition-metal di-aluminides: Al4MnCo and related compounds

    International Nuclear Information System (INIS)

    Krajci, M.; Hafner, J.

    2002-01-01

    In this paper we extend our previous study of the electronic structure of and bonding mechanism in transition-metal (TM) di-aluminides to ternary systems. We have studied the character of the bonding in Al 4 MnCo and related TM di-aluminides in the C11 b (MoSi 2 ) and C54 (TiSi 2 ) crystal structures. A peculiar feature of the electronic structure of these TM di-aluminides is the existence of a semiconducting gap at the Fermi level. In our previous work we predicted a gap in Al 2 TM compounds where the TM atoms have eight valence electrons. Here we demonstrate that the semiconducting gap does not disappear if the TM sites are occupied by two different TMs, provided that the electron-per-atom ratio is conserved. Such a replacement substantially increases the class of possibly semiconducting TM di-aluminides. Substitution for 3d TMs of 4d or 5d TMs enhances the width of the gap. From the analysis of the charge density distribution and the crystal orbital overlap population, we conclude that the bonding between atoms has dominantly covalent character. This is confirmed not only by the enhanced charge density halfway between atoms, but also by the clear bonding-antibonding splitting of the electronic states. If the gaps between split states that correspond to all bonding configurations in the crystal have a common overlap at the Fermi level, the intermetallic compound becomes a semiconductor. However, the results of the total-energy calculations suggest that the existence of a band gap does not necessarily imply a stable structure. Strong covalent bonds can exist also in Al-TM structures where no band gap is observed. (author)

  15. Low temperature synthesis of no-carrier-added [{sup 11}C]formaldehyde with metal hydrides and preparation of [1-{sup 11}C]1,2,3,4-Tetrahydro-{beta}-Carboline Derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Nader, M.W.; Zeisler, S.K.; Theobald, A.; Oberdorfer, F

    1998-12-01

    A comparative study has been performed on the selective reduction of cyclotron-produced [{sup 11}C]carbon dioxide to [{sup 11}C]formaldehyde with solutions of various complex metal hydrides at temperatures between -52 and +25 deg. C. Under optimal reaction conditions, lithium tetrahydridoaluminate gave the highest yield of [{sup 11}C]formaldehyde (58%, decay-corrected), followed by lithium triethylhydridoborate (34%) and sodium tetrahydridoborate (22%). Radiochemically pure [{sup 11}C]formaldehyde could be obtained with lithium tetrahydridoaluminate and sodium tetrahydridoborate, but not with lithium triethyl hydridoborate. The produced [{sup 11}C]formaldehyde was used for the synthesis of [1-{sup 11}C]1,2,3,4-tetrahydro-{beta}-carboline derivatives by the Pictet-Spengler reaction.

  16. Alleviation of Fermi level pinning at metal/n-Ge interface with lattice-matched Si x Ge1‑ x ‑ y Sn y ternary alloy interlayer on Ge

    Science.gov (United States)

    Suzuki, Akihiro; Nakatsuka, Osamu; Sakashita, Mitsuo; Zaima, Shigeaki

    2018-06-01

    The impact of a silicon germanium tin (Si x Ge1‑ x ‑ y Sn y ) ternary alloy interlayer on the Schottky barrier height (SBH) of metal/Ge contacts with various metal work functions has been investigated. Lattice matching at the Si x Ge1‑ x ‑ y Sn y /Ge heterointerface is a key factor for controlling Fermi level pinning (FLP) at the metal/Ge interface. The Si x Ge1‑ x ‑ y Sn y ternary alloy interlayer having a small lattice mismatch with the Ge substrate can alleviate FLP at the metal/Ge interface significantly. A Si0.11Ge0.86Sn0.03 interlayer increases the slope parameter for the work function dependence of the SBH to 0.4. An ohmic behavior with an SBH below 0.15 eV can be obtained with Zr and Al/Si0.11Ge0.86Sn0.03/n-Ge contacts at room temperature.

  17. Application of multivariate techniques in the optimization of a procedure for the determination of bioavailable concentrations of Se and As in estuarine sediments by ICP OES using a concomitant metals analyzer as a hydride generator.

    Science.gov (United States)

    Lopes, Watson da Luz; Santelli, Ricardo Erthal; Oliveira, Eliane Padua; de Carvalho, Maria de Fátima Batista; Bezerra, Marcos Almeida

    2009-10-15

    A procedure has been developed for the determination of bioavailable concentrations of selenium and arsenic in estuarine sediments employing inductively coupled plasma optical emission spectrometry (ICP OES) using a concomitant metals analyzer device to perform hydride generation. The optimization of hydride generation was done in two steps: using a two-level factorial design for preliminary evaluation of studied factors and a Doehlert design to assess the optimal experimental conditions for analysis. Interferences of transition metallic ions (Cd(2+), Co(2+), Cu(2+), Fe(3+) and Ni(2+)) to selenium and arsenic signals were minimized by using higher hydrochloric acid concentrations. In this way, the procedure allowed the determination of selenium and arsenic in sediments with a detection limit of 25 and 30 microg kg(-1), respectively, assuming a 50-fold sample dilution (0.5 g sample extraction to 25 mL sample final volume). The precision, expressed as a relative standard deviation (% RSD, n=10), was 0.2% for both selenium and arsenic in 200 microg L(-1) solutions, which corresponds to 10 microg g(-1) in sediment samples after acid extraction. Applying the proposed procedure, a linear range of 0.08-10 and 0.10-10 microg g(-1) was obtained for selenium and arsenic, respectively. The developed procedure was validated by the analysis of two certified reference materials: industrial sludge (NIST 2782) and river sediment (NIST 8704). The results were in agreement with the certified values. The developed procedure was applied to evaluate the bioavailability of both elements in four sediment certified reference materials, in which there are not certified values for bioavailable fractions, and also in estuarine sediment samples collected in several sites of Guanabara Bay, an impacted environment in Rio de Janeiro, Brazil.

  18. Gaseous Phase and Electrochemical Hydrogen Storage Properties of Ti50Zr1Ni44X5 (X = Ni, Cr, Mn, Fe, Co, or Cu for Nickel Metal Hydride Battery Applications

    Directory of Open Access Journals (Sweden)

    Jean Nei

    2016-07-01

    Full Text Available Structural, gaseous phase hydrogen storage, and electrochemical properties of a series of the Ti50Zr1Ni44X5 (X = Ni, Cr, Mn, Fe, Co, or Cu metal hydride alloys were studied. X-ray diffraction (XRD and scanning electron microscopy (SEM revealed the multi-phase nature of all alloys, which were composed of a stoichiometric TiNi matrix, a hyperstoichiometric TiNi minor phase, and a Ti2Ni secondary phase. Improvement in synergetic effects between the main TiNi and secondary Ti2Ni phases, determined by the amount of distorted lattice region in TiNi near Ti2Ni, was accomplished by the substitution of an element with a higher work function, which consequently causes a dramatic increase in gaseous phase hydrogen storage capacity compared to the Ti50Zr1Ni49 base alloy. Capacity performance is further enhanced in the electrochemical environment, especially in the cases of the Ti50Zr1Ni49 base alloy and Ti50Zr1Ni44Co5 alloy. Although the TiNi-based alloys in the current study show poorer high-rate performances compared to the commonly used AB5, AB2, and A2B7 alloys, they have adequate capacity performances and also excel in terms of cost and cycle stability. Among the alloys investigated, the Ti50Zr1Ni44Fe5 alloy demonstrated the best balance among capacity (394 mAh·g−1, high-rate performance, activation, and cycle stability and is recommended for follow-up full-cell testing and as the base composition for future formula optimization. A review of previous research works regarding the TiNi metal hydride alloys is also included.

  19. Binary and ternary systems

    International Nuclear Information System (INIS)

    Petrov, D.A.

    1986-01-01

    Conditions for thermodynamical equilibrium in binary and ternary systems are considered. Main types of binary and ternary system phase diagrams are sequently constructed on the basis of general regularities on the character of transition from one equilibria to others. New statements on equilibrium line direction in the diagram triple points and their isothermal cross sections are developed. New represenations on equilibria in case of monovariant curve minimum and maximum on three-phase equilibrium formation in ternary system are introduced

  20. Electrolytic hydriding and hydride distribution in zircaloy-4

    International Nuclear Information System (INIS)

    Gomes, M.H.L.

    1974-01-01

    A study has been made of the electrolytic hydriding of zircaloy-4 in the range 20-80 0 C, for reaction times from 5 to 30 hours, and the effect of potential, pH and dissolved oxygen has been investigated. The hydriding reaction was more sensitive to time and temperature conditions than to the electrochemical variables. It has been shown that a controlled introduction of hydrides in zircaloy is feasible. Hydrides were found to be plate like shaped and distributed mainly along grain-boundaries. It has been shown that hydriding kinetics do not follow a simple law but may be described by a Johnson-Mehl empirical equation. On the basis of this equation an activation energy of 9.400 cal/mol has been determined, which is close to the activation energy for diffusion of hydrogen in the hydride. (author)

  1. Sodium-based hydrides for thermal energy applications

    Science.gov (United States)

    Sheppard, D. A.; Humphries, T. D.; Buckley, C. E.

    2016-04-01

    Concentrating solar-thermal power (CSP) with thermal energy storage (TES) represents an attractive alternative to conventional fossil fuels for base-load power generation. Sodium alanate (NaAlH4) is a well-known sodium-based complex metal hydride but, more recently, high-temperature sodium-based complex metal hydrides have been considered for TES. This review considers the current state of the art for NaH, NaMgH3- x F x , Na-based transition metal hydrides, NaBH4 and Na3AlH6 for TES and heat pumping applications. These metal hydrides have a number of advantages over other classes of heat storage materials such as high thermal energy storage capacity, low volume, relatively low cost and a wide range of operating temperatures (100 °C to more than 650 °C). Potential safety issues associated with the use of high-temperature sodium-based hydrides are also addressed.

  2. Ternary complex formation at mineral/solution interfaces

    International Nuclear Information System (INIS)

    Leckie, J.O.

    1995-01-01

    Adsorption of trace concentrations of radionuclides and heavy metals from aqueous solution is dependent on pH, absorbent and adsorbate concentration, and speciation of the metal in solution. In particular, complexation of metal ions by organic and inorganic ligands can dramatically alter adsorption behavior compared to ligand-free systems. The presence of complexing ligands can cause the formation of ''metal like'' or ''ligand like'' ternary surface complexes depending on whether adsorption of the ternary complex increases or decreases with increasing pH, respectively. Examples of ternary surface complexes behaving ''metal like'' include uranyl-EDTA surface complexes on goethite, neptunyl-EDTA surface complexes on hematite and neptunyl-humic surface complexes on gibbsite. Examples of ''ligand like'' ternary surface complexes include uranyl-carbonato and neptunyl-carbonato surface complexes on iron oxides. The effects of complex solutions and multimineralic systems are discussed. (authors). 39 refs., 16 figs., 8 tabs

  3. Decomposition kinetics of plutonium hydride

    Energy Technology Data Exchange (ETDEWEB)

    Haschke, J.M.; Stakebake, J.L.

    1979-01-01

    Kinetic data for decomposition of PuH/sub 1/ /sub 95/ provides insight into a possible mechanism for the hydriding and dehydriding reactions of plutonium. The fact that the rate of the hydriding reaction, K/sub H/, is proportional to P/sup 1/2/ and the rate of the dehydriding process, K/sub D/, is inversely proportional to P/sup 1/2/ suggests that the forward and reverse reactions proceed by opposite paths of the same mechanism. The P/sup 1/2/ dependence of hydrogen solubility in metals is characteristic of the dissociative absorption of hydrogen; i.e., the reactive species is atomic hydrogen. It is reasonable to assume that the rates of the forward and reverse reactions are controlled by the surface concentration of atomic hydrogen, (H/sub s/), that K/sub H/ = c'(H/sub s/), and that K/sub D/ = c/(H/sub s/), where c' and c are proportionality constants. For this surface model, the pressure dependence of K/sub D/ is related to (H/sub s/) by the reaction (H/sub s/) reversible 1/2H/sub 2/(g) and by its equilibrium constant K/sub e/ = (H/sub 2/)/sup 1/2//(H/sub s/). In the pressure range of ideal gas behavior, (H/sub s/) = K/sub e//sup -1/(RT)/sup -1/2/ and the decomposition rate is given by K/sub D/ = cK/sub e/(RT)/sup -1/2/P/sup 1/2/. For an analogous treatment of the hydriding process with this model, it can be readily shown that K/sub H/ = c'K/sub e//sup -1/(RT)/sup -1/2/P/sup 1/2/. The inverse pressure dependence and direct temperature dependence of the decomposition rate are correctly predicted by this mechanism which is most consistent with the observed behavior of the Pu--H system.

  4. Preparation of beryllium hydride

    International Nuclear Information System (INIS)

    Bergeron, C.R.; Baker, R.W.

    1975-01-01

    Beryllium hydride of high bulk density, suitable for use as a component of high-energy fuels, is prepared by the pyrolysis, in solution in an inert solvent, of a ditertiary-alkyl beryllium. An agitator introduces mechanical energy into the reaction system, during the pyrolysis, at the rate of 0.002 to 0.30 horsepower per gallon of reaction mixture. (U.S.)

  5. Mechanism of Nitrogenase H 2 Formation by Metal-Hydride Protonation Probed by Mediated Electrocatalysis and H/D Isotope Effects

    Energy Technology Data Exchange (ETDEWEB)

    Khadka, Nimesh [Department of Chemistry; Milton, Ross D. [Department of Chemistry, University of Utah, Salt Lake City, Utah 84112, United States; Shaw, Sudipta [Department of Chemistry; Lukoyanov, Dmitriy [Department; Dean, Dennis R. [Department of Biochemistry, Virginia Tech, Blacksburg, Virginia 24061, United States; Minteer, Shelley D. [Department of Chemistry, University of Utah, Salt Lake City, Utah 84112, United States; Raugei, Simone [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Hoffman, Brian M. [Department; Seefeldt, Lance C. [Department of Chemistry

    2017-09-15

    Nitrogenase catalyzes the reduction of dinitrogen (N2) to ammonia (NH3) with obligatory reduction of protons (H+) to dihydrogen (H2) through a mechanism involving reductive elimination of two [Fe-H-Fe] bridging hydrides at its active site FeMo-cofactor. The overall rate-limiting step is associated with ATP-driven electron delivery from Fe protein, precluding isotope effect measurements on substrate reduction steps. Here, we use mediated bioelectrocatalysis to drive electron delivery to MoFe protein without Fe protein and ATP hydrolysis, thereby eliminating the normal rate-limiting step. The ratio of catalytic current in mixtures of H2O and D2O, the proton inventory, changes linearly with the D2O/H2O ratio, revealing that a single H/D is involved in the rate limiting step. Kinetic models, along with measurements that vary the electron/proton delivery rate and use different substrates, reveal that the rate-limiting step under these conditions is the H2 formation reaction. Altering the chemical environment around the active site FeMo-cofactor in the MoFe protein either by substituting nearby amino acids or transferring the isolated FeMo-cofactor into a different peptide matrix, changes the net isotope effect, but the proton inventory plot remains linear, consistent with an unchanging rate-limiting step. Density functional theory predicts a transition state for H2 formation where the proton from S-H+ moves to the hydride in Fe-H-, predicting the number and magnitude of the observed H/D isotope effect. This study not only reveals the mechanism of H2 formation, but also illustrates a strategy for mechanistic study that can be applied to other enzymes and to biomimetic complexes.

  6. TERNARY ALLOYS OF URANIUM, COLUMBIUM, AND ZIRCONIUM

    Science.gov (United States)

    Foote, F.G.

    1960-08-01

    Ternary alloys of uranium are described which are useful as neutron- reflecting materials in a fast neutron reactor. They are especially resistant to corrosion caused by oxidative processes of gascous or aqueous origin and comprise uranium as the predominant metal with zirconiunn and niobium wherein the total content of the minor alloying elements is between 2 and 8% by weight.

  7. Roles of texture in controlling oxidation, hydrogen ingress and hydride formation in Zr alloys

    International Nuclear Information System (INIS)

    Szpunar, Jerzy A.; Qin, Wen; Li, Hualong; Kumar, Kiran

    2011-01-01

    Experimental observations shows that the oxide formed on Zr alloys are strongly textured. The texture and grain-boundary characteristics of oxide are dependent on the texture of metal substrate. Computer simulation and thermodynamic modeling clarify the effect of metal substrate on structure of oxide film, and intrinsic factors affecting the microstructure. Models of diffusion process of hydrogen atoms and oxygen diffusion through oxide are presented. Both intra-granular and inter-granular hydrides were found following (0001) α-Zr //(111) δ-ZrH1.5 relationship. The through-thickness texture inhomogeneity in cladding tubes, the effects of hoop stress on the hydride orientation and the formation of interlinked hydride structure were studied. A thermodynamic model was developed to analyze the nucleation and the stress-induced reorientation of intergranular hydrides. These works provide a framework for understanding the oxidation, the hydrogen ingress and the hydride formation in Zr alloys. (author)

  8. Analytical and numerical models of uranium ignition assisted by hydride formation

    International Nuclear Information System (INIS)

    Totemeier, T.C.; Hayes, S.L.

    1996-01-01

    Analytical and numerical models of uranium ignition assisted by the oxidation of uranium hydride are described. The models were developed to demonstrate that ignition of large uranium ingots could not occur as a result of possible hydride formation during storage. The thermodynamics-based analytical model predicted an overall 17 C temperature rise of the ingot due to hydride oxidation upon opening of the storage can in air. The numerical model predicted locally higher temperature increases at the surface; the transient temperature increase quickly dissipated. The numerical model was further used to determine conditions for which hydride oxidation does lead to ignition of uranium metal. Room temperature ignition only occurs for high hydride fractions in the nominally oxide reaction product and high specific surface areas of the uranium metal

  9. Ternary chalcopyrite semiconductors

    CERN Document Server

    Shay, J L; Pamplin, B R

    2013-01-01

    Ternary Chalcopyrite Semiconductors: Growth, Electronic Properties, and Applications covers the developments of work in the I-III-VI2 and II-IV-V2 ternary chalcopyrite compounds. This book is composed of eight chapters that focus on the crystal growth, characterization, and applications of these compounds to optical communications systems. After briefly dealing with the status of ternary chalcopyrite compounds, this book goes on describing the crystal growth of II-IV-V2 and I-III-VI2 single crystals. Chapters 3 and 4 examine the energy band structure of these semiconductor compounds, illustrat

  10. Zircaloy-4 hydridation

    International Nuclear Information System (INIS)

    Vizcaino, Pablo

    1997-01-01

    The objectives of this work can be summarized as: 1) To reproduce, by heat treatments, matrix microstructures and hydride morphologies similar to those observed in structural components of the CNA-1 and CNE nuclear power plants; 2) To study the evolution of the mechanical properties of the original material with different hydrogen concentrations, such as microhardness, and its capacity to distinguish these materials; 3) To find parameters that allow to estimate the hydrogen content of a material by quantitative metallographic techniques, to be used as complementary in the study of the radioactive materials from reactors

  11. Hydride embrittlement in zircaloy components

    Energy Technology Data Exchange (ETDEWEB)

    Lobo, Raquel M.; Andrade, Arnaldo H.P.; Castagnet, Mariano, E-mail: rmlobo@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2011-07-01

    Zirconium alloys are used in nuclear reactor cores under high-temperature water environment. During service, hydrogen is generated by corrosion processes, and it is readily absorbed by these materials. When hydrogen concentration exceeds the terminal solid solubility, the excess hydrogen precipitates as zirconium hydride (ZrH{sub 2}) platelets or needles. Zirconium alloys components can fail by hydride cracking if they contain large flaws and are highly stressed. Zirconium alloys are susceptible to a mechanism for crack initiation and propagation termed delayed hydride cracking (DHC). The presence of brittle hydrides, with a K{sub Ic} fracture toughness of only a few MPa{radical}m, results in a severe loss in ductility and toughness when platelet normal is oriented parallel to the applied stress. In plate or tubing, hydrides tend to form perpendicular to the thickness direction due to the texture developed during fabrication. Hydrides in this orientation do not generally cause structural problems because applied stresses in the through-thickness direction are very low. However, the high mobility of hydrogen in a zirconium lattice enables redistribution of hydrides normal to the applied stress direction, which can result in localized embrittlement. When a platelet reaches a critical length it ruptures. If the tensile stress is sufficiently great, crack initiation starts at some of these hydrides. Crack propagation occurs by repeating the same process at the crack tip. Delayed hydride cracking can degrade the structural integrity of zirconium alloys during reactor service. The paper focuses on the fracture mechanics and fractographic aspects of hydride material. (author)

  12. Crystal Growth and Characterization of MT2Si2 Ternary Intermetallics (M = U, RE and T = 3d, 4d, 5d Transition Metals)

    NARCIS (Netherlands)

    Menovsky, A.A.; Moleman, A.C.; Snel, G.E.; Gortenmulder, T.J.; Palstra, T.T.M.

    1986-01-01

    Bulk single crystals of the ternary intermetallic compounds UT2Si2 (T = Ni, Pd, Pt and Ru), LaT2Si2 (T = Pd and Rh) and LuPd2Si2 have been grown from the melt with a modified “tri-arc” Czochralski method. The as-grown crystals were characterized by X-ray, microprobe and chemical analyses. The

  13. First-principles calculation of the structural and elastic properties of ternary metal nitrides TaxMo1-xN and TaxW1-xN

    Science.gov (United States)

    Bouamama, Kh.; Djemia, P.; Benhamida, M.

    2015-09-01

    First-principles pseudo-potentials calculations of the mixing enthalpy, of the lattice constants a0 and of the single-crystal elastic constants cij for ternary metal nitrides TaxMe1-xN (Me=Mo or W) alloys considering the cubic B1-rocksalt structure is carried out. For disordered ternary alloys, we employ the virtual crystal approximation VCA in which the alloy pseudopotentials are constructed within a first-principles VCA scheme. The supercell method SC is also used for ordered structures in order to evaluate clustering effects. We find that the mixing enthalpy still remains negative for TaxMe1-xN alloys in the whole composition range which implies these cubic TaxMo1-xN and TaxW1-xN ordered solid solutions are stable. We investigate the effect of Mo and W alloying on the trend of the mechanical properties of TaN. The effective shear elastic constant c44, the Cauchy pressure (c12-c44), and the shear to bulk modulus G/B ratio are used to discuss, respectively, the mechanical stability of the ternary structure and the brittle/ductile behavior in reference to TaN, MeN alloys. We determine the onset transition from the unstable structure to the stable one B1-rocksalt from the elastic stability criteria when alloying MeN with Ta. In a second stage, in the frame of anisotropic elasticity, we estimate by one homogenization method the averaged constants of the polycrystalline TaxMe1-xN alloys considering the special case of an isotropic medium with no crystallographic texture.

  14. Chemical Hydride Slurry for Hydrogen Production and Storage

    Energy Technology Data Exchange (ETDEWEB)

    McClaine, Andrew W

    2008-09-30

    The purpose of this project was to investigate and evaluate the attractiveness of using a magnesium chemical hydride slurry as a hydrogen storage, delivery, and production medium for automobiles. To fully evaluate the potential for magnesium hydride slurry to act as a carrier of hydrogen, potential slurry compositions, potential hydrogen release techniques, and the processes (and their costs) that will be used to recycle the byproducts back to a high hydrogen content slurry were evaluated. A 75% MgH2 slurry was demonstrated, which was just short of the 76% goal. This slurry is pumpable and storable for months at a time at room temperature and pressure conditions and it has the consistency of paint. Two techniques were demonstrated for reacting the slurry with water to release hydrogen. The first technique was a continuous mixing process that was tested for several hours at a time and demonstrated operation without external heat addition. Further work will be required to reduce this design to a reliable, robust system. The second technique was a semi-continuous process. It was demonstrated on a 2 kWh scale. This system operated continuously and reliably for hours at a time, including starts and stops. This process could be readily reduced to practice for commercial applications. The processes and costs associated with recycling the byproducts of the water/slurry reaction were also evaluated. This included recovering and recycling the oils of the slurry, reforming the magnesium hydroxide and magnesium oxide byproduct to magnesium metal, hydriding the magnesium metal with hydrogen to form magnesium hydride, and preparing the slurry. We found that the SOM process, under development by Boston University, offers the lowest cost alternative for producing and recycling the slurry. Using the H2A framework, a total cost of production, delivery, and distribution of $4.50/kg of hydrogen delivered or $4.50/gge was determined. Experiments performed at Boston

  15. Hydrogen Storage in Porous Materials and Magnesium Hydrides

    NARCIS (Netherlands)

    Grzech, A.

    2013-01-01

    In this thesis representatives of two different types of materials for potential hydrogen storage application are presented. Usage of either nanoporous materials or metal hydrides has both operational advantages and disadvantages. A main objective of this thesis is to characterize the hydrogen

  16. Ternary alloy systems. Phase diagrams, crystallographic and thermodynamic data critically evaluated by MSIT registered. Subvol. C. Non-ferrous metal systems. Pt. 4: Selected nuclear materials and engineering systems

    International Nuclear Information System (INIS)

    Effenberg, Guenter; Ilyenko, Svitlana; Aldinger, Fritz; Bochvar, Nataliya; Cacciamani, Gabriele

    2007-01-01

    The present volume in the New Series of Landolt-Boernstein provides critically evaluated data on phase diagrams, crystallographic and thermodynamic data of ternary alloy systems. Reliable phase diagrams provide materials scientists and engineers with basic information important for fundamental research, development and optimization of materials. The often conflicting literature data have been critically evaluated by Materials Science International Team, MSIT registered , a team working together since many years, and with expertise in a broad range of methods, materials and applications. All evaluation reports published here have undergone a thorough review process in which the reviewers had access to all the original data. The data for each ternary system are provided in a standard format which includes text, tables and diagrams. The topics presented are literature data, binary systems, solid phases, pseudobinary systems, invariant equilibria, liquidus, solidus, and solvus surfaces, isothermal sections, temperature-composition sections, thermodynamics, materials properties and applications, and miscellanea. Finally, a detailed bibliography of all cited references is provided. In the present volume IV/11C selected non-ferrous-metal systems are considered, especially selected nuclear materials and engineering systems in this Part 4. (orig.)

  17. A review of uranium corrosion by hydrogen and the formation of uranium hydride

    OpenAIRE

    Banos, A.; Harker, N. J.; Scott, T. B.

    2018-01-01

    Uranium hydride (UH3) is the direct product of the reaction between uranium metal and gaseous hydrogen. In the context of uranium storage, this corrosion reaction is considered deleterious, not just because the structure of the metal may become significantly degraded but also because the resulting hydride is pyrophoric and therefore potentially flammable in air if present in significant quantity. The current review draws from the literature surrounding the uranium-hydrogen system accrued over...

  18. 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

  19. A critical overview of definitions and determination techniques of the internal resistance using lithium-ion, lead-acid, nickel metal-hydride batteries and electrochemical double-layer capacitors as examples

    Science.gov (United States)

    Piłatowicz, Grzegorz; Marongiu, Andrea; Drillkens, Julia; Sinhuber, Philipp; Sauer, Dirk Uwe

    2015-11-01

    The internal resistance (Ri) is one of the key parameters that determine the current state of electrochemical storage systems (ESS). It is crucial for estimating cranking capability in conventional cars, available power in modern hybrid and electric vehicles and for determining commonly used factors such as state-of-health (SoH) and state-of-function (SoF). However, ESS are complex and non-linear systems. Their Ri depends on many parameters such as current rate, temperature, SoH and state-of-charge (SoC). It is also a fact that no standardized methodologies exist and many different definitions and ways of Ri determination are being used. Nevertheless, in many cases authors are not aware of the consequences that occur when different Ri definitions are being used, such as possible misinterpretations, doubtful comparisons and false figures of merit. This paper focuses on an application-oriented separation between various Ri definitions and highlights the differences between them. The investigation was based on the following technologies: lead-acid, lithium-ion and nickel metal-hydride batteries as well as electrochemical double-layer capacitors. It is not the target of this paper to provide a standardized definition of Ri but to give researchers, engineers and manufacturers a possibility to understand what the term Ri means in their own work.

  20. Microcapsulated rare earth - nickel hydride-forming materials

    International Nuclear Information System (INIS)

    Ishikawa, H.; Oguro, K.; Kato, A.; Suzuki, H.; Ishii, E.

    1985-01-01

    Fine particles of hydride-forming alloys such as LaNi/sub 5/ and MmNi/sub 4.5/Mn/sub 0.5/ (MM : mischmetal) were coated with metallic copper thin layer by chemical plating method. Hydrogen storage capacities of alloys were not appreciably affected by the plating treatment. The capsulated alloy powders were easily pressed into pellets. The pellets obtained had high thermal conductivity and porosity enough to permeate hydrogen, leading to fast reaction kinetics. These were able to withstand more than 5,000 repeated hydriding-dehydriding cycles without disintegrating

  1. Preparation and chemical crystallographic study of new hydrides and hydro-fluorides of ionic character; Preparation et etude cristallochimique de nouveaux hydrures et fluorohydrures a caractere ionique

    Energy Technology Data Exchange (ETDEWEB)

    Park, Hyung-Ho

    1988-07-22

    Within the context of a growing interest in the study of reversible hydrides with the perspective of their application in hydrogen storage, this research thesis more particularly addressed the case of ternary hydrides and fluorides, and of hydro-fluorides. The author reports the development of a method of preparation of alkaline hydrides, of alkaline earth hydrides and of europium hydride, and then the elaboration of ternary hydrides. He addresses the preparation of caesium fluorides and of calcium or nickel fluorides, of Europium fluorides, and of ternary fluorides. Then, he addresses the preparation of hydro-fluorides (caesium, calcium, europium fluorides, and caesium and nickel fluorides). The author presents the various experimental techniques: chemical analysis, radio-crystallographic analysis, volumetric mass density measurement, magnetic measurements, ionic conductivity measurements, Moessbauer spectroscopy, and nuclear magnetic resonance. He reports the crystallographic study of some ternary alkaline and alkaline-earth hydrides (KH-MgH{sub 2}, RbH-CaH{sub 2}, CsH-CaH{sub 2}, RbH-MgH{sub 2} and CsH-MgH{sub 2}) and of some hydro-fluorides (CsCaF{sub 2}H, EuF{sub 2}H, CsNiF{sub 2}H) [French] Dans une premiere partie, de nouveaux hydrures ternaires ont ete prepares et caracterises. Les systemes etudies sont AH-MH 2 (A = K, Rb, Cs et M = Mg, Ca). Dans les systemes AH-MgH 2 l'evolution structurale a ete discutee en fonction du caractere iono-covalent de la liaison magnesium-hydrogene. Dans une deuxieme partie, plusieurs nouveaux fluorohydrures ont ete mis en evidence. L'effet de la substitution de l'hydrogene au fluor dans ces phases a ete etudiee en utilisant la RMN, la spectroscopie Moessbauer, la conductivite ionique et les mesures magnetiques.

  2. Erbium hydride decomposition kinetics.

    Energy Technology Data Exchange (ETDEWEB)

    Ferrizz, Robert Matthew

    2006-11-01

    Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report are analyzed quantitatively using Redhead's method to yield kinetic parameters (E{sub A} {approx} 54.2 kcal/mol), which are then utilized to predict hydrogen outgassing in vacuum for a variety of thermal treatments. Interestingly, it was found that the activation energy for desorption can vary by more than 7 kcal/mol (0.30 eV) for seemingly similar samples. In addition, small amounts of less-stable hydrogen were observed for all erbium dihydride films. A detailed explanation of several approaches for analyzing thermal desorption spectra to obtain kinetic information is included as an appendix.

  3. A study of fundamental reaction pathways for transition metal alkyl complexes. I. The reaction of a nickel methyl complex with alkynes. Ii. The mechanism of aldehyde formation in the reaction of a molybdenum hydride with molybdenum alkyls

    Energy Technology Data Exchange (ETDEWEB)

    Huggins, John Mitchell [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)

    1980-06-12

    it was possible to show that the mixed dimers MeCpMo(CO)3-(CO)3MoCp (3b) and MeCpMo(CO)2≡(CO)2 MoCp (4b) are the predominant kinetic products of the reaction. Additionally labeling the carbonyl ligands of 1a with 13CO led to the conclusion that all three of the carbonyl ligands in 1a end up in the tetracarbonyl dimers 4a if the reaction is carried out under a continuous purge of argon Trapping studies failed to find any evidence for the intermediacy of either [CpMo(CO)3] - or [CpMo(CO)3] + in this reaction. A mechanism is proposed that involves the initial migration of the alkyl ligand in 2 to CO forming an unsaturated acyl complex which reacts with 1a to give a binuclear complex containing a three center-two electron Mo-H-Mo bond. This complex then selectively looses a carbonyl from the acyl molybdenum, migrates the hydride to that same metal, and forms a metal-metal bond. This binuclear complex with the hydride and acyl ligands on one metal reductively eliminates aldehyde, and migrates a carbonyl ligand, to give 4a directly. The other product 3a is formed by addition of two molecules of free CO to 4a.

  4. Z-H Bond Activation in (Di)hydrogen Bonding as a Way to Proton/Hydride Transfer and H2 Evolution.

    Science.gov (United States)

    Belkova, Natalia V; Filippov, Oleg A; Shubina, Elena S

    2018-02-01

    The ability of neutral transition-metal hydrides to serve as a source of hydride ion H - or proton H + is well appreciated. The hydride ligands possessing a partly negative charge are proton accepting sites, forming a dihydrogen bond, M-H δ- ⋅⋅⋅ δ+ HX (M=transition metal or metalloid). On the other hand, some metal hydrides are able to serve as a proton source and give hydrogen bond of M-H δ+ ⋅⋅⋅X type (X=organic base). In this paper we analyse recent works on transition-metal and boron hydrides showing i) how formation of an intermolecular complex between the reactants changes the Z-H (M-H and X-H) bond polarity and ii) what is the implication of such activation in the mechanisms of hydrides reactions. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Mechanisms of hydrogen induced delayed cracking in hydride forming materials

    International Nuclear Information System (INIS)

    Dutton, R.; Nuttall, K.; Puls, M.P.; Simpson, L.A.

    1977-01-01

    Mechanisms which have been formulated to describe delayed hydrogen cracking in hydride-forming metals are reviewed and discussed. Particular emphasis is placed on the commercial alloy Zr--2.5% Nb (Cb) which is extensively used in nuclear reactor core components. A quantitative model for hydrogen cracking in this material is presented and compared with available experimental data. The kinetics of crack propagation are controlled by the growth of hydrides at the stressed crack tip by the diffusive ingress of hydrogen into this region. The driving force for the diffusion flux is provided by the local stress gradient which interacts with both hydrogen atoms in solution and hydrogen atoms being dissolved and reprecipitated at the crack tip. The model is developed using concepts of elastoplastic fracture mechanics. Stage I crack growth is controlled by hydrides growing in the elastic stress gradient, while Stage II is controlled by hydride growth in the plastic zone at the crack tip. Recent experimental observations are presented which indicate that the process occurs in an intermittent fashion; hydride clusters accumulate at the crack tip followed by unstable crack advance and subsequent crack arrest in repeated cycles

  6. Mechanisms of hydrogen induced delayed cracking in hydride forming materials

    International Nuclear Information System (INIS)

    Dutton, R.; Nuttall, K.; Puls, M.P.; Simpson, L.A.

    1977-01-01

    Mechanisms which have been formulated to describe delayed hydrogen cracking in hydride-forming metals are reviewed and discussed. Particular emphasis is placed on the commercial alloy Zr-2.5 pct Nb which is extensively used in nuclear reactor core components. A quantitative model for hydrogen cracking in this material is presented and compared with available experimental data. The kinetics of crack propagation are controlled by the growth of hydrides at the stressed crack tip by the diffusive ingress of hydrogen into this region. The driving force for the diffusion flux is provided by the local stress gradient which interacts with both hydrogen atoms in solution and hydrogen atoms being dissolved and reprecipitated at the crack tip. The model is developed using concepts of elastoplastic fracture mechanics. Stage I crack growth is controlled by hydrides growing in the elastic stress gradient, while Stage II is controlled by hydride growth in the plastic zone at the crack tip. Recent experimental observations are presented which indicate that the process occurs in an intermittent fashion; hydride clusters accumulate at the crack tip followed by unstable crack advance and subsequent crack arrest in repeated cycles. 55 refs., 6 figs

  7. Complex Hydrides for Hydrogen Storage

    Energy Technology Data Exchange (ETDEWEB)

    Slattery, Darlene; Hampton, Michael

    2003-03-10

    This report describes research into the use of complex hydrides for hydrogen storage. The synthesis of a number of alanates, (AIH4) compounds, was investigated. Both wet chemical and mechano-chemical methods were studied.

  8. Terahertz spectroscopy of 25MgH (X2Σ+) and (67)ZnH (X2Σ+): bonding in simple metal hydrides.

    Science.gov (United States)

    Bucchino, Matthew P; Ziurys, Lucy M

    2013-10-03

    Pure rotational spectra of (25)MgH (X(2)Σ(+)) and (67)ZnH (X(2)Σ(+)) were recorded using direct absorption techniques. These free radicals were synthesized by the reaction of metal vapor, generated in a Broida-type oven, with H2 in a dc discharge. The N = 0 → 1 and N = 1 → 2 transitions were recorded for both species in the frequency range 342-789 GHz. Spin-rotation and metal and proton hyperfine interactions were resolved in the spectra. From these data, rotational, fine structure, and hyperfine constants were determined, including the Fermi contact, dipolar, and electric quadrupole parameters of the (25)Mg and (67)Zn nuclei. Comparison of the metal and proton hyperfine terms suggests that the unpaired electron resides in a σ molecular orbital that has significant s contributions from both the metal and the hydrogen atoms. The dipolar terms for both metals are relatively large, in contrast to those of the proton, and indicate spσ and possibly sdσ (zinc only) orbital hybridization. The quadrupole constants arise principally from the p/d orbital character of the unpaired electron, although there is a non-negligible polarization contribution. These results suggest significant covalent character in both MgH and ZnH, in contrast to their fluoride analogs.

  9. Kinetic study of lithium-cadmium ternary amalgam decomposition

    International Nuclear Information System (INIS)

    Cordova, M.H.; Andrade, C.E.

    1992-01-01

    The effect of metals, which form stable lithium phase in binary alloys, on the formation of intermetallic species in ternary amalgams and their effect on thermal decomposition in contact with water is analyzed. Cd is selected as ternary metal, based on general experimental selection criteria. Cd (Hg) binary amalgams are prepared by direct contact Cd-Hg, whereas Li is formed by electrolysis of Li OH aq using a liquid Cd (Hg) cathodic well. The decomposition kinetic of Li C(Hg) in contact with 0.6 M Li OH is studied in function of ageing and temperature, and these results are compared with the binary amalgam Li (Hg) decomposition. The decomposition rate is constant during one hour for binary and ternary systems. Ageing does not affect the binary systems but increases the decomposition activation energy of ternary systems. A reaction mechanism that considers an intermetallic specie participating in the activated complex is proposed and a kinetic law is suggested. (author)

  10. Hydriding failure in water reactor fuel elements

    International Nuclear Information System (INIS)

    Sah, D.N.; Ramadasan, E.; Unnikrishnan, K.

    1980-01-01

    Hydriding of the zircaloy cladding has been one of the important causes of failure in water reactor fuel elements. This report reviews the causes, the mechanisms and the methods for prevention of hydriding failure in zircaloy clad water reactor fuel elements. The different types of hydriding of zircaloy cladding have been classified. Various factors influencing zircaloy hydriding from internal and external sources in an operating fuel element have been brought out. The findings of post-irradiation examination of fuel elements from Indian reactors, with respect to clad hydriding and features of hydriding failure are included. (author)

  11. Mechanical properties and fracture of titanium hydrides

    International Nuclear Information System (INIS)

    Koketsu, Hideyuki; Taniyama, Yoshihiro; Yonezu, Akio; Cho, Hideo; Ogawa, Takeshi; Takemoto, Mikio; Nakayama, Gen

    2006-01-01

    Titanium hydrides tend to suffer fracture when their thicknesses reach a critical thickness. Morphology and mechanical property of the hydrides are, however, not well known. The study aims to reveal the hydride morphology and fracture types of the hydrides. Chevron shaped plate hydrides were found to be produced on the surface of pure titanium (Grade 1) and Grade 7 titanium absorbing hydrogen. There were tree types of fracture of the hydrides, i.e., crack in hydride layer, exfoliation of the layer and shear-type fracture of the hydride plates, during the growth of the hydrides and deformation. We next estimated the true stress-strain curves of the hydrides on Grade 1 and 7 titanium using the dual Vickers indentation method, and the critical strain causing the Mode-I fine crack by indentation. Fracture strength and strain of the hydrides in Grade 1 titanium were estimated as 566 MPa and 4.5%, respectively. Those of the hydride in Grade 7 titanium were 498 MPa and 16%. Though the fracture strains estimated from the plastic instability of true stress-strain curves were approximately the half of those estimated by finite element method, the titanium hydrides were estimated to possess some extent of toughness or plastic deformation capability. (author)

  12. High-pressure hydriding of Zircaloy

    International Nuclear Information System (INIS)

    Kim, Y.S.

    1996-01-01

    The hydriding characteristics of Zircaloy-2(Zry), sponge zirconium (as a liner on Zry plate), and crystal-bar zirconium exposed to pure H 2 at 0.1 MPa or 7 MPa and 400 C were determined in a thermogravimetric apparatus. The morphology of the hydrided specimens was also examined by optical microscopy. For all specimen types, the rate of hydriding in 7 MPa H 2 was two orders of magnitude greater than in 0.1 MPa H 2 . For Zry, uniform bulk hydriding was revealed by hydride precipitates at room temperature and on one occasion, a sunburst hydride. In addition, all specimen types exhibited a hydride surface layer. In a duplex Zry/sponge-Zr specimen, Zry is more heavily hydrided than the sponge Zr layer. (orig.)

  13. Hydride Olefin complexes of tantalum and niobium

    NARCIS (Netherlands)

    Klazinga, Aan Hendrik

    1979-01-01

    This thesis describes investigations on low-valent tantalum and niobium hydride and alkyl complexes, particularly the dicyclopentadienyl tantalum hydride olefin complexes Cp2Ta(H)L (L=olefin). ... Zie: Summary

  14. Synthesis of magnetic intermetallics and their interstitial hydrides

    International Nuclear Information System (INIS)

    Kramp, S.; Febri, M.; L'Heritier, P.; Ezekwenna, P.; Joubert, J.C.

    1996-01-01

    Many binary and ternary magnetic rare earth transition metal alloy powders have been synthesized by the oxygen-reduction-diffusion technique (ORD). Several levels of hydrogen concentration have been achieved by using chemical reactions where nascent hydrogen produced next to the surface of the alloy grains was observed to diffuse into the core of the particles at a temperature close to the ambient. (orig.)

  15. An Investigation on the Persistence of Uranium Hydride during Storage of Simulant Nuclear Waste Packages

    OpenAIRE

    Stitt , C. A.; Harker , N. J.; Hallam , K. R.; Paraskevoulakos , C.; Banos , A.; Rennie , S.; Jowsey , J.; Scott , T. B.

    2015-01-01

    International audience; Synchrotron X-rays have been used to study the oxidation of uranium and uranium hydride when encapsulated in grout and stored in de-ionised water for 10 months. Periodic synchrotron X-ray tomography and X-ray powder diffraction have allowed measurement and identification of the arising corrosion products and the rates of corrosion. The oxidation rates of the uranium metal and uranium hydride were slower than empirically derived rates previously reported for each reacta...

  16. Hydrogen storage in complex hydrides

    International Nuclear Information System (INIS)

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

    2005-01-01

    Full text: Hydrogen storage is a key enabling technology for the advancement of hydrogen and fuel cell power technologies in mobile and stationary applications. A relevant role of the fuel cell powered vehicles on the market of the transportation systems will be achieved only if the research and development of on-board vehicular hydrogen storage are able to allow a driving range of at least 500 km. The on-board hydrogen storage systems are more challenging due to the space, weight and cost limitations. This range of autonomy between refueling requires materials able to store at least 6.5% weight hydrogen, available at moderate pressures, at the working temperature of the fuel cells and with acceptable cycling stability. The intensive research on the hydrogen storage in alloys and intermetallic of the LaNi 5 , FeTi or Laves phase type compounds, which started more than three decades ago did not resulted in materials of more than about 3% H storage capacities. The 7.5% H content of the Mg hydride is still of attracting interest but though the absorption has been achieved at lower temperatures by ball milling magnesium with various amounts of nickel, the desorption can not be attained at 1 bar H 2 below 280 deg. C and the kinetics of the process is too slow. In the last decade, the attention is focused on another class of compounds, the complex hydrides of aluminum with alkali metals (alanates), due to their high hydrogen content. It was found that doping with Ti-based catalysts improve the hydrogenation/dehydrogenation conditions of NaAlH 4 . Later on, it was shown that ball milling with solid state catalysts greatly improve the hydrogen desorption kinetics of NaAlH 4 , and this also helps to the rehydriding process. The hydrogen desorption from NaAlH 4 occurs in three steps, it shows a reversible storage capacity of 5.5% H and this led to further research work for a better knowledge of its application relating properties. In this work, ball milling experiments on Na

  17. Synthesis, properties, and assimilation methods of aluminium hydride

    International Nuclear Information System (INIS)

    Mirsaidov, U.M.

    2013-01-01

    We have discovered a new source of aluminium hydride-conversion of tetrahydrofurane under influence of halogenous alkyls. We have proposed the chlorbenzene method of synthesis of AlH 3 , which excludes adhesion and ensure high quality of the product with respect to its purity, thermal stability, habits of crystals (round shape), and granulometric composition. We determined capability of benzyl chloride to fix AlH 4 -groups by the way of complexes formation. This allows increasing efficient concentration of AlH 3 solutions and their productivity. We have carried out 'direct' crystallization of aluminium hydride in one stage using interaction of binary metal hydride with aluminium chloride in the medium of ether-toluene at 60-100 d ig C a nd using solvent distillation. In the reaction of Li H with AlCl 3 , we achieved output of pure crystal AlH 3 of hexagonal modification, which was close to quantitative. We have discovered the assimilation methods of aluminium hydride in carrying out of solid-phase chemical reactions. (author)

  18. Boron hydride analogues of the fullerenes

    International Nuclear Information System (INIS)

    Quong, A.A.; Pederson, M.R.; Broughton, J.Q.

    1994-01-01

    The BH moiety is isoelectronic with C. We have studied the stability of the (BH) 60 analogue of the C 60 fullerene as well as the dual-structure (BH) 32 icosahedron, both of them being putative structures, by performing local-density-functional electronic calculations. To aid in our analysis, we have also studied other homologues of these systems. We find that the latter, i.e., the dual structure, is the more stable although the former is as stable as one of the latter's lower homologues. Boron hydrides, it seems, naturally form the dual structures used in algorithmic optimization of complex fullerene systems. Fully relaxed geometries are reported as well as electron affinities and effective Hubbard U parameters. These systems form very stable anions and we conclude that a search for BH analogues of the C 60 alkali-metal supeconductors might prove very fruitful

  19. Non-Precious Bimetallic Catalysts for Selective Dehydrogenation of an Organic Chemical Hydride System

    KAUST Repository

    Shaikh Ali, Anaam

    2015-07-06

    Methylcyclohexane (MCH)-Toluene (TOL) chemical hydride cycles as a hydrogen carrier system is successful with the selective dehydrogenation reaction of MCH to TOL, which has been achieved only using precious Pt-based catalysts. Herein, we report improved selectivity using non-precious metal nickel-based bimetallic catalysts, where the second metal occupies the unselective step sites.

  20. Corrosion behavior of Zircaloy 4 cladding material. Evaluation of the hydriding effect

    International Nuclear Information System (INIS)

    Blat, M.

    1997-04-01

    In this work, particular attention has been paid to the hydriding effect in PIE and laboratory test to validate a detrimental hydrogen contribution on Zircaloy 4 corrosion behavior at high burnup. Laboratory corrosion tests results confirm that hydrides have a detrimental role on corrosion kinetics. This effect is particularly significant for cathodic charged samples with a massive hydride outer layer before corrosion test. PIE show that at high burnup a hydride layer is formed underneath the metal/oxide interface. The results of the metallurgical examinations are discussed with respect to the possible mechanisms involved in this detrimental effect of hydrogen. Therefore, according to the laboratory tests results and PIE, hydrogen could be a strong contributor to explain the increase in corrosion rate at high burnup. (author)

  1. Predicting Hydride Donor Strength via Quantum Chemical Calculations of Hydride Transfer Activation Free Energy.

    Science.gov (United States)

    Alherz, Abdulaziz; Lim, Chern-Hooi; Hynes, James T; Musgrave, Charles B

    2018-01-25

    We propose a method to approximate the kinetic properties of hydride donor species by relating the nucleophilicity (N) of a hydride to the activation free energy ΔG ⧧ of its corresponding hydride transfer reaction. N is a kinetic parameter related to the hydride transfer rate constant that quantifies a nucleophilic hydridic species' tendency to donate. Our method estimates N using quantum chemical calculations to compute ΔG ⧧ for hydride transfers from hydride donors to CO 2 in solution. A linear correlation for each class of hydrides is then established between experimentally determined N values and the computationally predicted ΔG ⧧ ; this relationship can then be used to predict nucleophilicity for different hydride donors within each class. This approach is employed to determine N for four different classes of hydride donors: two organic (carbon-based and benzimidazole-based) and two inorganic (boron and silicon) hydride classes. We argue that silicon and boron hydrides are driven by the formation of the more stable Si-O or B-O bond. In contrast, the carbon-based hydrides considered herein are driven by the stability acquired upon rearomatization, a feature making these species of particular interest, because they both exhibit catalytic behavior and can be recycled.

  2. Syntheses and properties of several metastable and stable hydrides derived from intermetallic compounds under high hydrogen pressure

    Energy Technology Data Exchange (ETDEWEB)

    Filipek, S.M., E-mail: sfilipek@unipress.waw.pl [Institute of High Pressure Physics PAS, ul. Sokolowska 29, 01-142 Warsaw (Poland); Paul-Boncour, V. [ICMPE-CMTR, CNRS-UPEC, 2-8 rue Henri Dunant, 94320 Thiais (France); Liu, R.S. [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Jacob, I. [Unit Nuclear Eng., Ben Gurion University of the Negev, Beer-Sheva (Israel); Tsutaoka, T. [Dept. of Sci. Educ., Grad. School of Educ., Hiroshima University, Hiroshima (Japan); Budziak, A. [Institute of Nuclear Physics PAS, 31-342 Kraków (Poland); Morawski, A. [Institute of High Pressure Physics PAS, ul. Sokolowska 29, 01-142 Warsaw (Poland); Sugiura, H. [Yokohama City University, 22-2 Seto, Kanazawa-ku, Yokohama 236-0027 (Japan); Zachariasz, P. [Institute of Electron Technology Cracow Division, ul. Zablocie 39, 30-701 Krakow (Poland); Dybko, K. [Institute of Physics, PAS, 02-668 Warsaw (Poland); Diduszko, R. [Tele and Radio Research Institute, ul. Ratuszowa 11, Warsaw (Poland)

    2016-12-01

    Brief summary of our former work on high hydrogen pressure syntheses of novel hydrides and studies of their properties is supplemented with new results. Syntheses and properties of a number of hydrides (unstable, metastable or stable in ambient conditions) derived under high hydrogen pressure from intermetallic compounds, like MeT{sub 2}, MeNi{sub 5}, Me{sub 7}T{sub 3}, Y{sub 6}Mn{sub 23} and YMn{sub 12} (where Me = zirconium, yttrium or rare earth; T = transition metal) are presented. Stabilization of ZrFe{sub 2}H{sub 4} due to surface phenomena was revealed. Unusual role of manganese in hydride forming processes is pointed out. Hydrogen induced phase transitions, suppression of magnetism, antiferromagnetic-ferromagnetic and metal-insulator or semimetal-metal transitions are described. Equations of state (EOS) of hydrides submitted to hydrostatic pressures up to 30 GPa are presented and discussed.

  3. Structural Series in the Ternary A-Mn-As System (A = Alkali Metal): Double-Layer-Type CsMn4As3 and RbMn4As3 and Tunnel-Type KMn4As3.

    Science.gov (United States)

    Ishida, Junichi; Iimura, Soshi; Hosono, Hideo

    2018-04-16

    New manganese arsenides CsMn 4 As 3 , RbMn 4 As 3 , and KMn 4 As 3 were synthesized by solid-state reaction. They consist of edge-sharing MnAs 4 tetrahedra, which are a building block similar to those of Fe-based superconductors. CsMn 4 As 3 and RbMn 4 As 3 adopt the KCu 4 S 3 -type structure (tetragonal P4/ mmm space group, No. 123) with a Mn 4 As 3 double layer, while KMn 4 As 3 has the CaFe 4 As 3 -type structure (orthorhombic Pnma space group, No. 62) with a Mn 4 As 3 tunnel framework. The structural change from CsMn 4 As 3 and RbMn 4 As 3 to KMn 4 As 3 as well as the structural trend of the other ternary A-Mn-As (A = alkali metal) and AE-Mn-As (AE = alkaline-earth metal) compounds is understood as a consequence of reduction of the coordination number around the A and AE sites owing to the decrease of the ionic radius from Cs + to Mg 2+ . Electrical resistivity measurements confirm that the three new phases are Mott insulators with band gaps of 0.52 (CsMn 4 As 3 ), 0.43 (RbMn 4 As 3 ), and 0.31 eV (KMn 4 As 3 ). Magnetic and heat capacity measurements revealed that CsMn 4 As 3 and RbMn 4 As 3 are antiferromagnets without apparent phase transitions below 400 K, which is similar to the magnetism of LaMnAsO and BaMn 2 As 2 , while the existence of the ferromagnetic component was indicated in KMn 4 As 3 with a magnetic transition at 179 K.

  4. Predicting formation enthalpies of metal hydrides

    DEFF Research Database (Denmark)

    Andreasen, A.

    2004-01-01

    of elements from the periodic table are yet to beexplored. Since experimental determination of thermodynamic properties of the vast combinations of elements is tedious it may be advantagous to have a predictive tool for this task. In this report different ways of predicting #DELTA#H_f for binary andternary...

  5. The effect of sample preparation on uranium hydriding

    International Nuclear Information System (INIS)

    Banos, A.; Stitt, C.A.; Scott, T.B.

    2016-01-01

    Highlights: • Distinct differences in uranium hydride growth rates and characteristics between different surface preparation methods. • The primary difference between the categories of sample preparations is the level of strain present in the surface. • Greater surface-strain, leads to higher nucleation number density, implying a preferred attack of strained vs unstrained metal. • As strain is reduced, surface features such as carbides and grain boundaries become more important in controlling the UH3 location. - Abstract: The influence of sample cleaning preparation on the early stages of uranium hydriding has been examined, by using four identical samples but concurrently prepared using four different methods. The samples were reacted together in the same corrosion cell to ensure identical exposure conditions. From the analysis, it was found that the hydride nucleation rate was proportional to the level of strain exhibiting higher number density for the more strained surfaces. Additionally, microstructure of the metal plays a secondary role regarding initial hydrogen attack on the highly strained surfaces yet starts to dominate the system while moving to more pristine samples.

  6. Hydride Molecules towards Nearby Galaxies

    Science.gov (United States)

    Monje, Raquel R.; La, Ngoc; Goldsmith, Paul

    2018-06-01

    Observations carried out by the Herschel Space Observatory revealed strong spectroscopic signatures from light hydride molecules within the Milky Way and nearby active galaxies. To better understand the chemical and physical conditions of the interstellar medium, we conducted the first comprehensive survey of hydrogen fluoride (HF) and water molecular lines observed through the SPIRE Fourier Transform Spectrometer. By collecting and analyzing the sub-millimeter spectra of over two hundred sources, we found that the HF J = 1 - 0 rotational transition which occurs at approximately 1232 GHz was detected in a total of 39 nearby galaxies both in absorption and emission. The analysis will determine the main excitation mechanism of HF in nearby galaxies and provide steady templates of the chemistry and physical conditions of the ISM to be used in the early universe, where observations of hydrides are more scarce.

  7. Catalytic effect of halide additives ball milled with magnesium hydride

    Energy Technology Data Exchange (ETDEWEB)

    Malka, I.E.; Bystrzycki, J. [Department of Advanced Materials and Technologies, Military University of Technology, Kaliskiego 2, 00-908 Warsaw (Poland); Czujko, T. [Department of Advanced Materials and Technologies, Military University of Technology, Kaliskiego 2, 00-908 Warsaw (Poland); CanmetENERGY, Hydrogen Fuel Cells and Transportation Energy, Natural Resources (Canada)

    2010-02-15

    The influence of various halide additives milled with magnesium hydride (MgH{sub 2}) on its decomposition temperature was studied. The optimum amount of halide additive and milling conditions were evaluated. The MgH{sub 2} decomposition temperature and energy of activation reduction were measured by temperature programmed desorption (TPD) and differential scanning calorimetry (DSC). The difference in catalytic efficiency between chlorides and fluorides of the various metals studied is presented. The effects of oxidation state, valence and position in the periodic table for selected halides on MgH{sub 2} decomposition temperature were also studied. The best catalysts, from the halides studied, for magnesium hydride decomposition were ZrF{sub 4}, TaF{sub 5}, NbF{sub 5}, VCl{sub 3} and TiCl{sub 3}. (author)

  8. Nanostructured, complex hydride systems for hydrogen generation

    Directory of Open Access Journals (Sweden)

    Robert A. Varin

    2015-02-01

    Full Text Available Complex hydride systems for hydrogen (H2 generation for supplying fuel cells are being reviewed. In the first group, the hydride systems that are capable of generating H2 through a mechanical dehydrogenation phenomenon at the ambient temperature are discussed. There are few quite diverse systems in this group such as lithium alanate (LiAlH4 with the following additives: nanoiron (n-Fe, lithium amide (LiNH2 (a hydride/hydride system and manganese chloride MnCl2 (a hydride/halide system. Another hydride/hydride system consists of lithium amide (LiNH2 and magnesium hydride (MgH2, and finally, there is a LiBH4-FeCl2 (hydride/halide system. These hydride systems are capable of releasing from ~4 to 7 wt.% H2 at the ambient temperature during a reasonably short duration of ball milling. The second group encompasses systems that generate H2 at slightly elevated temperature (up to 100 °C. In this group lithium alanate (LiAlH4 ball milled with the nano-Fe and nano-TiN/TiC/ZrC additives is a prominent system that can relatively quickly generate up to 7 wt.% H2 at 100 °C. The other hydride is manganese borohydride (Mn(BH42 obtained by mechano-chemical activation synthesis (MCAS. In a ball milled (2LiBH4 + MnCl2 nanocomposite, Mn(BH42 co-existing with LiCl can desorb ~4.5 wt.% H2 at 100 °C within a reasonable duration of dehydrogenation. Practical application aspects of hydride systems for H2 generation/storage are also briefly discussed.

  9. Neutron Damage and MAX Phase Ternary Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Barsoum, Michael [Drexel Univ., Philadelphia, PA (United States); Hoffman, Elizabeth [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Sindelar, Robert [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Garcua-Duaz, Brenda [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Kohse, Gordon [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2014-06-17

    The Demands of Gen IV nuclear power plants for long service life under neutron radiation at high temperature are severe. Advanced materials that would withstand high temperatures (up to 1000+ C) to high doses in a neutron field would be ideal for reactor internal structures and would add to the long service life and reliability of the reactors. The objective of this work is to investigate the response of a new class of machinable, conductive, layered, ternary transition metal carbides and nitrides - the so-called MAX phases - to low and moderate neutron dose levels.

  10. Neutron Damage and MAX Phase Ternary Compounds

    International Nuclear Information System (INIS)

    Barsoum, Michael; Hoffman, Elizabeth; Sindelar, Robert; Garcua-Diaz, Brenda; Kohse, Gordon

    2014-01-01

    The Demands of Gen IV nuclear power plants for long service life under neutron radiation at high temperature are severe. Advanced materials that would withstand high temperatures (up to 1000+ C) to high doses in a neutron field would be ideal for reactor internal structures and would add to the long service life and reliability of the reactors. The objective of this work is to investigate the response of a new class of machinable, conductive, layered, ternary transition metal carbides and nitrides - the so-called MAX phases - to low and moderate neutron dose levels.

  11. NMR study of hydride systems

    International Nuclear Information System (INIS)

    Peretz, M.

    1980-02-01

    The hydrides of thorium (ThH 2 , Th 4 H 15 and Th 4 D 15 ) and the intermetallic compound system (Zr(Vsub(1-x)Cosub(x)) 2 and its hydrides were investigated using the nuclear magnetic resonance (NMR) technique. From the results for the thorium hydride samples it was concluded that the density of states at the Fermi level n(Esub(f)) is higher in Th 4 H 15 than in ThH 2 ; there is an indirect reaction between the protons and the d electrons belonging to the Th atoms in Th 4 H 15 ; n(E) has a sharp structure near Esub(f). It was also found that the hydrogen diffusion mechanism changes with temperature. From the results for the intermetallic compound system conclusions were drawn concerning variations in the electronic structure, which explain the behavior of the system. In hydrogen diffusion studies in several samples it was found that Co atoms slow the diffusion rate. Quadrupole spectra obtained at low temperatures show that the H atoms preferably occupy tetrahedral sites formed by three V atoms and one Z atom. (H.K.)

  12. Vanadium-based alloy hydrides for heat pumps, compressors, and isotope separation

    International Nuclear Information System (INIS)

    Libowitz, G.G.

    1988-01-01

    A series of body-centered cubic (b.c.c.) solid solution alloys have been developed which appears to be unusually suitable for several applications involving metal hydrides. It is normally very difficult to induce the body-centered cubic metals, Nb, V, and Ta, to react with hydrogen; in bulk form the reaction will simply not occur at room temperature. Alloys containing Nb exhibited very large hysteresis effects on hydride formation and thus are not suitable for most applications. However, the V-Ti based alloys showed relatively little hysteresis, and because of their unusual thermodynamic properties offer significant advantages for the specific applications discussed below. (orig./HB)

  13. Multislice simulations for in-situ HRTEM studies of nanostructured magnesium hydride at ambient hydrogen pressure

    Energy Technology Data Exchange (ETDEWEB)

    Surrey, Alexander, E-mail: a.surrey@ifw-dresden.de [IFW Dresden, Institute for Metallic Materials, P.O. Box 270116, D-01171 Dresden (Germany); Institut für Festkörperphysik, Technische Universität Dresden, D-01062 Dresden (Germany); Schultz, Ludwig [IFW Dresden, Institute for Metallic Materials, P.O. Box 270116, D-01171 Dresden (Germany); Institut für Festkörperphysik, Technische Universität Dresden, D-01062 Dresden (Germany); Rellinghaus, Bernd, E-mail: b.rellinghaus@ifw-dresden.de [IFW Dresden, Institute for Metallic Materials, P.O. Box 270116, D-01171 Dresden (Germany)

    2017-04-15

    Highlights: • Multislice HRTEM contrast simulations of a windowed environmental cell. • Study of Mg and MgH2 nanocrystals as model system in hydrogen at ambient pressure. • Investigation of spatial resolution and contrast depending on specimen thickness, defocus, and hydrogen pressure. • Atomic resolution is expected for specimens as thin as 5  nm. - Abstract: The use of transmission electron microscopy (TEM) for the structural characterization of many nanostructured hydrides, which are relevant for solid state hydrogen storage, is hindered due to a rapid decomposition of the specimen upon irradiation with the electron beam. Environmental TEM allows to stabilize the hydrides by applying a hydrogen back pressure of up to 4.5 bar in a windowed environmental cell. The feasibility of high-resolution TEM (HRTEM) investigations of light weight metals and metal hydrides in such a “nanoreactor” is studied theoretically by means of multislice HRTEM contrast simulations using Mg and its hydride phase, MgH{sub 2}, as model system. Such a setup provides the general opportunity to study dehydrogenation and hydrogenation reactions at the nanoscale under technological application conditions. We analyze the dependence of both the spatial resolution and the HRTEM image contrast on parameters such as the defocus, the metal/hydride thickness, and the hydrogen pressure in order to explore the possibilities and limitations of in-situ experiments with windowed environmental cells. Such simulations may be highly valuable to pre-evaluate future experimental studies.

  14. Multislice simulations for in-situ HRTEM studies of nanostructured magnesium hydride at ambient hydrogen pressure

    International Nuclear Information System (INIS)

    Surrey, Alexander; Schultz, Ludwig; Rellinghaus, Bernd

    2017-01-01

    Highlights: • Multislice HRTEM contrast simulations of a windowed environmental cell. • Study of Mg and MgH2 nanocrystals as model system in hydrogen at ambient pressure. • Investigation of spatial resolution and contrast depending on specimen thickness, defocus, and hydrogen pressure. • Atomic resolution is expected for specimens as thin as 5  nm. - Abstract: The use of transmission electron microscopy (TEM) for the structural characterization of many nanostructured hydrides, which are relevant for solid state hydrogen storage, is hindered due to a rapid decomposition of the specimen upon irradiation with the electron beam. Environmental TEM allows to stabilize the hydrides by applying a hydrogen back pressure of up to 4.5 bar in a windowed environmental cell. The feasibility of high-resolution TEM (HRTEM) investigations of light weight metals and metal hydrides in such a “nanoreactor” is studied theoretically by means of multislice HRTEM contrast simulations using Mg and its hydride phase, MgH_2, as model system. Such a setup provides the general opportunity to study dehydrogenation and hydrogenation reactions at the nanoscale under technological application conditions. We analyze the dependence of both the spatial resolution and the HRTEM image contrast on parameters such as the defocus, the metal/hydride thickness, and the hydrogen pressure in order to explore the possibilities and limitations of in-situ experiments with windowed environmental cells. Such simulations may be highly valuable to pre-evaluate future experimental studies.

  15. Fundamental experiments on hydride reorientation in zircaloy

    Science.gov (United States)

    Colas, Kimberly B.

    In the current study, an in-situ X-ray diffraction technique using synchrotron radiation was used to follow directly the kinetics of hydride dissolution and precipitation during thermomechanical cycles. This technique was combined with conventional microscopy (optical, SEM and TEM) to gain an overall understanding of the process of hydride reorientation. Thus this part of the study emphasized the time-dependent nature of the process, studying large volume of hydrides in the material. In addition, a micro-diffraction technique was also used to study the spatial distribution of hydrides near stress concentrations. This part of the study emphasized the spatial variation of hydride characteristics such as strain and morphology. Hydrided samples in the shape of tensile dog-bones were used in the time-dependent part of the study. Compact tension specimens were used during the spatial dependence part of the study. The hydride elastic strains from peak shift and size and strain broadening were studied as a function of time for precipitating hydrides. The hydrides precipitate in a very compressed state of stress, as measured by the shift in lattice spacing. As precipitation proceeds the average shift decreases, indicating average stress is reduced, likely due to plastic deformation and morphology changes. When nucleation ends the hydrides follow the zirconium matrix thermal contraction. When stress is applied below the threshold stress for reorientation, hydrides first nucleate in a very compressed state similar to that of unstressed hydrides. After reducing the average strain similarly to unstressed hydrides, the average hydride strain reaches a constant value during cool-down to room temperature. This could be due to a greater ease of deforming the matrix due to the applied far-field strain which would compensate for the strains due to thermal contraction. Finally when hydrides reorient, the average hydride strains become tensile during the first precipitation regime and

  16. Synthesis, spectroscopy, and hydrogen/deuterium exchange in high-spin iron(II) hydride complexes.

    Science.gov (United States)

    Dugan, Thomas R; Bill, Eckhard; MacLeod, K Cory; Brennessel, William W; Holland, Patrick L

    2014-03-03

    Very few hydride complexes are known in which the metals have a high-spin electronic configuration. We describe the characterization of several high-spin iron(II) hydride/deuteride isotopologues and their exchange reactions with one another and with H2/D2. Though the hydride/deuteride signal is not observable in NMR spectra, the choice of isotope has an influence on the chemical shifts of distant protons in the dimers through the paramagnetic isotope effect on chemical shift. This provides the first way to monitor the exchange of H and D in the bridging positions of these hydride complexes. The rate of exchange depends on the size of the supporting ligand, and this is consistent with the idea that H2/D2 exchange into the hydrides occurs through the dimeric complexes rather than through a transient monomer. The understanding of H/D exchange mechanisms in these high-spin iron hydride complexes may be relevant to postulated nitrogenase mechanisms.

  17. Atom Probe Analysis of Ex Situ Gas-Charged Stable Hydrides.

    Science.gov (United States)

    Haley, Daniel; Bagot, Paul A J; Moody, Michael P

    2017-04-01

    In this work, we report on the atom probe tomography analysis of two metallic hydrides formed by pressurized charging using an ex situ hydrogen charging cell, in the pressure range of 200-500 kPa (2-5 bar). Specifically we report on the deuterium charging of Pd/Rh and V systems. Using this ex situ system, we demonstrate the successful loading and subsequent atom probe analysis of deuterium within a Pd/Rh alloy, and demonstrate that deuterium is likely present within the oxide-metal interface of a native oxide formed on vanadium. Through these experiments, we demonstrate the feasibility of ex situ hydrogen analysis for hydrides via atom probe tomography, and thus a practical route to three-dimensional imaging of hydrogen in hydrides at the atomic scale.

  18. Hydride heat pump. Volume I. Users manual for HYCSOS system design program. [HYCSOS code

    Energy Technology Data Exchange (ETDEWEB)

    Gorman, R.; Moritz, P.

    1978-05-01

    A method for the design and costing of a metal hydride heat pump for residential use and a computer program, HYCSOS, which automates that method are described. The system analyzed is one in which a metal hydride heat pump can provide space heating and space cooling powered by energy from solar collectors and electric power generated from solar energy. The principles and basic design of the system are presented, and the computer program is described giving detailed design and performance equations used in the program. The operation of the program is explained, and a sample run is presented. This computer program is part of an effort to design, cost, and evaluate a hydride heat pump for residential use. The computer program is written in standard Fortran IV and was run on a CDC Cyber 74 and Cyber 174 computer. A listing of the program is included as an appendix. This report is Volume 1 of a two-volume document.

  19. Hydride effect on crack instability of Zircaloy cladding

    Energy Technology Data Exchange (ETDEWEB)

    Tseng, Che-Chung, E-mail: cctseng@iner.gov.tw [Institute of Nuclear Energy Research, No. 1000, Wunhua Road, Jiaan Village, Lungtan, Township, Taoyuan County 32546, Taiwan (China); Sun, Ming-Hung [Institute of Nuclear Energy Research, No. 1000, Wunhua Road, Jiaan Village, Lungtan, Township, Taoyuan County 32546, Taiwan (China); Chao, Ching-Kong [Department of Mechanical Engineering, National Taiwan University of Science and Technology, 43 Keelung Road, Section 4, Taipei 106, Taiwan (China)

    2014-04-01

    Highlights: • Radial hydrides near the crack tip had a significant effect on crack propagation. • For radial hydrides off the crack line vertically, the effect on crack propagation was notably reduced. • The longer hydride platelet resulted in a remarkable effect on crack propagation. • A long split in the radial hydride precipitate would enhance crack propagation. • The presence of circumferential hydride among radial hydrides may play an important role in crack propagation. - Abstract: A methodology was proposed to investigate the effect of hydride on the crack propagation in fuel cladding. The analysis was modeled based on an outside-in crack with radial hydrides located near its crack tip. The finite element method was used in the calculation; both stress intensity factor K{sub I} and J integral were applied to evaluate the crack stability. The parameters employed in the analysis included the location of radial hydride, hydride dimensions, number of hydrides, and the presence of circumferential hydride, etc. According to our study, the effective distance between a radial hydride and the assumed cladding surface crack for the enhancement of crack propagation proved to be no greater than 0.06 mm. For a hydride not on the crack line, it would induce a relatively minor effect on crack propagation if the vertical distance was beyond 0.05 mm. However, a longer hydride precipitate as well as double radial hydrides could have a remarkable effect on crack propagation. A combined effect of radial and circumferential hydrides was also discussed.

  20. Plasmonic spectral tunability of conductive ternary nitrides

    Energy Technology Data Exchange (ETDEWEB)

    Kassavetis, S.; Patsalas, P., E-mail: ppats@physics.auth.gr [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece); Bellas, D. V.; Lidorikis, E. [Department of Materials Science and Engineering, University of Ioannina, GR-45110 Ioannina (Greece); Abadias, G. [Institut Pprime, Département Physique et Mécanique des Matériaux, Université de Poitiers-CNRS-ENSMA, 86962 Chasseneuil-Futuroscope (France)

    2016-06-27

    Conductive binary transition metal nitrides, such as TiN and ZrN, have emerged as a category of promising alternative plasmonic materials. In this work, we show that ternary transition metal nitrides such as Ti{sub x}Ta{sub 1−x}N, Ti{sub x}Zr{sub 1−x}N, Ti{sub x}Al{sub 1−x}N, and Zr{sub x}Ta{sub 1−x}N share the important plasmonic features with their binary counterparts, while having the additional asset of the exceptional spectral tunability in the entire visible (400–700 nm) and UVA (315–400 nm) spectral ranges depending on their net valence electrons. In particular, we demonstrate that such ternary nitrides can exhibit maximum field enhancement factors comparable with gold in the aforementioned broadband range. We also critically evaluate the structural features that affect the quality factor of the plasmon resonance and we provide rules of thumb for the selection and growth of materials for nitride plasmonics.

  1. Factors affecting nucleolytic efficiency of some ternary metal complexes with DNA binding and recognition domains. Crystal and molecular structure of Zn(phen)(edda).

    Science.gov (United States)

    Seng, Hoi-Ling; Ong, Han-Kiat Alan; Rahman, Raja Noor Zaliha Raja Abd; Yamin, Bohari M; Tiekink, Edward R T; Tan, Kong Wai; Maah, Mohd Jamil; Caracelli, Ignez; Ng, Chew Hee

    2008-11-01

    The binding selectivity of the M(phen)(edda) (M=Cu, Co, Ni, Zn; phen=1,10-phenanthroline, edda=ethylenediaminediacetic acid) complexes towards ds(CG)(6), ds(AT)(6) and ds(CGCGAATTCGCG) B-form oligonucleotide duplexes were studied by CD spectroscopy and molecular modeling. The binding mode is intercalation and there is selectivity towards AT-sequence and stacking preference for A/A parallel or diagonal adjacent base steps in their intercalation. The nucleolytic properties of these complexes were investigated and the factors affecting the extent of cleavage were determined to be: concentration of complex, the nature of metal(II) ion, type of buffer, pH of buffer, incubation time, incubation temperature, and the presence of hydrogen peroxide or ascorbic acid as exogenous reagents. The fluorescence property of these complexes and its origin were also investigated. The crystal structure of the Zn(phen)(edda) complex is reported in which the zinc atom displays a distorted trans-N(4)O(2) octahedral geometry; the crystal packing features double layers of complex molecules held together by extensive hydrogen bonding that inter-digitate with adjacent double layers via pi...pi interactions between 1,10-phenanthroline residues. The structure is compared with that of the recently described copper(II) analogue and, with the latter, included in molecular modeling.

  2. The effect of hydrides on the growth of zirconia

    International Nuclear Information System (INIS)

    Ekbom, L.R.

    1982-01-01

    The purpose of the present experiment has been to verify a hypothesis that accelerated corrosion of hydride containin Zircaloy is caused by small pores formed in the oxide by the evolution of hydrogen during oxidation of hydrides. The work has been divided into two parts: specimen preparation and microscopy. ZrO 2 is difficult to work with because of the high compressive stress which exists in the oxide. The most interesting area to study if any hydrogen pores exist, is the metal-oxide interface. Both transmission and scanning electron microscopy were used in the study. Neither of these methods gave any useful information with regard to the original hypothesis. However, a few interesting observations were made on the structure of the oxide at the metal-oxide interface. When the metal had been removed by electropolishing it was seen that the inner surface of the oxide consisted of 0,2-0.3 μ long and 0.1 μ thick wormlike protuberances of oxide. These features could not be seen when the metal had been removed by chemical etching. An attempt to determine whether or not this structure is an artefact introduced by electropolishing was inconclusive but indicated that the structure probably is real. (Author)

  3. Determination of antimony by using a quartz atom trap and electrochemical hydride generation atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Menemenlioglu, Ipek; Korkmaz, Deniz [Department of Chemistry, Middle East Technical University, 06531 Ankara (Turkey); Ataman, O. Yavuz [Department of Chemistry, Middle East Technical University, 06531 Ankara (Turkey)], E-mail: ataman@metu.edu.tr

    2007-01-15

    The analytical performance of a miniature quartz trap coupled with electrochemical hydride generator for antimony determination is described. A portion of the inlet arm of the conventional quartz tube atomizer was used as an integrated trap medium for on-line preconcentration of electrochemically generated hydrides. This configuration minimizes transfer lines and connections. A thin-layer of electrochemical flow through cell was constructed. Lead and platinum foils were employed as cathode and anode materials, respectively. Experimental operation conditions for hydride generation as well as the collection and revolatilization conditions for the generated hydrides in the inlet arm of the quartz tube atomizer were optimized. Interferences of copper, nickel, iron, cobalt, arsenic, selenium, lead and tin were examined both with and without the trap. 3{sigma} limit of detection was estimated as 0.053 {mu}g l{sup -1} for a sample size of 6.0 ml collected in 120 s. The trap has provided 18 fold sensitivity improvement as compared to electrochemical hydride generation alone. The accuracy of the proposed technique was evaluated with two standard reference materials; Trace Metals in Drinking Water, Cat CRM-TMDW and Metals on Soil/Sediment 4, IRM-008.

  4. On new ternary equiatomic scandium transition metal aluminum compounds ScTAl with T = Cr, Ru, Ag, Re, Pt, and Au

    Energy Technology Data Exchange (ETDEWEB)

    Radzieowski, Mathis; Janka, Oliver [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Benndorf, Christopher [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Haverkamp, Sandra [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Eckert, Hellmut [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; University of Sao Paulo, Sao Carlos, SP (Brazil). Inst. of Physics

    2016-08-01

    The new equiatomic scandium transition metal aluminides ScTAl for T = Cr, Ru, Ag, Re, Pt, and Au were obtained by arc-melting of the elements followed by subsequent annealing for crystal growth. The samples were studied by powder and single crystal X-ray diffraction. The structures of three compounds were refined from single crystal X-ray diffractometer data: ScCrAl, MgZn{sub 2} type, P6{sub 3}/mmc, a = 525.77(3), c = 858.68(5) pm, R{sub 1} = 0.0188, wR{sub 2} = 0.0485, 204 F{sup 2} values, 13 variables, ScPtAl, TiNiSi type, Pnma, a = 642.83(4), b = 428.96(2), c = 754.54(5) pm, R{sub 1} = 0.0326, wR{sub 2} = 0.0458, 448 F{sup 2} values, 20 variables and ScAuAl, HfRhSn type, P anti 62c, a = 722.88(4), c = 724.15(4) pm, R{sub 1} = 0.0316, wR{sub 2} = 0.0653, 512 F{sup 2} values, 18 variables. Phase pure samples of all compounds were furthermore investigated by magnetic susceptibility measurements, and Pauli-paramagnetism but no superconductivity was observed down to 2.1 K for all of them. The local structural features and disordering phenomena have been characterized by {sup 27}Al and {sup 45}Sc magic angle spinning (MAS) and static NMR spectroscopic investigations.

  5. Fullerene hydride - A potential hydrogen storage material

    International Nuclear Information System (INIS)

    Nai Xing Wang; Jun Ping Zhang; An Guang Yu; Yun Xu Yang; Wu Wei Wang; Rui long Sheng; Jia Zhao

    2005-01-01

    Hydrogen, as a clean, convenient, versatile fuel source, is considered to be an ideal energy carrier in the foreseeable future. Hydrogen storage must be solved in using of hydrogen energy. To date, much effort has been put into storage of hydrogen including physical storage via compression or liquefaction, chemical storage in hydrogen carriers, metal hydrides and gas-on-solid adsorption. But no one satisfies all of the efficiency, size, weight, cost and safety requirements for transportation or utility use. C 60 H 36 , firstly synthesized by the method of the Birch reduction, was loaded with 4.8 wt% hydrogen indicating [60]fullerene might be as a potential hydrogen storage material. If a 100% conversion of C 60 H 36 is achieved, 18 moles of H 2 gas would be liberated from each mole of fullerene hydride. Pure C 60 H 36 is very stable below 500 C under nitrogen atmosphere and it releases hydrogen accompanying by other hydrocarbons under high temperature. But C 60 H 36 can be decomposed to generate H 2 under effective catalyst. We have reported that hydrogen can be produced catalytically from C 60 H 36 by Vasks's compound (IrCl(CO)(PPh 3 ) 2 ) under mild conditions. (RhCl(CO)(PPh 3 ) 2 ) having similar structure to (IrCl(CO)(PPh 3 ) 2 ), was also examined for thermal dehydrogenation of C 60 H 36 ; but it showed low catalytic activity. To search better catalyst, palladium carbon (Pd/C) and platinum carbon (Pt/C) catalysts, which were known for catalytic hydrogenation of aromatic compounds, were tried and good results were obtained. A very big peak of hydrogen appeared at δ=5.2 ppm in 1 H NMR spectrum based on Evans'work (fig 1) at 100 C over a Pd/C catalyst for 16 hours. It is shown that hydrogen can be produced from C 60 H 36 using a catalytic amount of Pd/C. Comparing with Pd/C, Pt/C catalyst showed lower activity. The high cost and limited availability of Vaska's compounds, Pd and Pt make it advantageous to develop less expensive catalysts for our process based on

  6. Hydrogen adsorption on palladium and palladium hydride at 1 bar

    DEFF Research Database (Denmark)

    Johansson, Martin; Skulason, Egill; Nielsen, Gunver

    2010-01-01

    strongly to Pd hydride than to Pd. The activation barrier for desorption at a H coverage of one mono layer is slightly lower on Pd hydride, whereas the activation energy for adsorption is similar on Pd and Pd hydride. It is concluded that the higher sticking probability on Pd hydride is most likely caused...

  7. Cyclopentadiene-mediated hydride transfer from rhodium complexes.

    Science.gov (United States)

    Pitman, C L; Finster, O N L; Miller, A J M

    2016-07-12

    Attempts to generate a proposed rhodium hydride catalytic intermediate instead resulted in isolation of (Cp*H)Rh(bpy)Cl (1), a pentamethylcyclopentadiene complex, formed by C-H bond-forming reductive elimination from the fleeting rhodium hydride. The hydride transfer ability of diene 1 was explored through thermochemistry and hydride transfer reactions, including the reduction of NAD(+).

  8. Method for converting uranium oxides to uranium metal

    International Nuclear Information System (INIS)

    Duerksen, W.K.

    1988-01-01

    A method for converting uranium oxide to uranium metal is described comprising the steps of heating uranium oxide in the presence of a reducing agent to a temperature sufficient to reduce the uranium oxide to uranium metal and form a heterogeneous mixture of a uranium metal product and oxide by-products, heating the mixture in a hydrogen atmosphere at a temperature sufficient to convert uranium metal in the mixture to uranium hydride, cooling the resulting uranium hydride-containing mixture to a temperature sufficient to produce a ferromagnetic transition in the uranium hydride, magnetically separating the cooled uranium hydride from the mixture, and thereafter heating the separated uranium hydride in an inert atmosphere to a temperature sufficient to convert the uranium hydride to uranium metal

  9. Investigations of intermetallic alloy hydriding mechanisms. Annual progress report, May 1 1979-April 30, 1980

    International Nuclear Information System (INIS)

    Livesay, B.R.; Larsen, J.W.

    1980-05-01

    Investigations are being conducted on mechanisms involved with the hydrogen-metal interactions which control the absorption and desorption processes in intermetallic compounds. The status of the following investigations is reported: modeling of hydride formation; microbalance investigations; microstructure investigations; flexure experiments; resistivity experiments; and nuclear backscattering measurements. These investigations concern fundamental hydrogen interaction mechanisms involved in storage alloys

  10. Ternary System with Controlled Structure: A New Strategy toward Efficient Organic Photovoltaics.

    Science.gov (United States)

    Cheng, Pei; Wang, Rui; Zhu, Jingshuai; Huang, Wenchao; Chang, Sheng-Yung; Meng, Lei; Sun, Pengyu; Cheng, Hao-Wen; Qin, Meng; Zhu, Chenhui; Zhan, Xiaowei; Yang, Yang

    2018-02-01

    Recently, a new type of active layer with a ternary system has been developed to further enhance the performance of binary system organic photovoltaics (OPV). In the ternary OPV, almost all active layers are formed by simple ternary blend in solution, which eventually leads to the disordered bulk heterojunction (BHJ) structure after a spin-coating process. There are two main restrictions in this disordered BHJ structure to obtain higher performance OPV. One is the isolated second donor or acceptor domains. The other is the invalid metal-semiconductor contact. Herein, the concept and design of donor/acceptor/acceptor ternary OPV with more controlled structure (C-ternary) is reported. The C-ternary OPV is fabricated by a sequential solution process, in which the second acceptor and donor/acceptor binary blend are sequentially spin-coated. After the device optimization, the power conversion efficiencies (PCEs) of all OPV with C-ternary are enhanced by 14-21% relative to those with the simple ternary blend; the best PCEs are 10.7 and 11.0% for fullerene-based and fullerene-free solar cells, respectively. Moreover, the averaged PCE value of 10.4% for fullerene-free solar cell measured in this study is in great agreement with the certified one of 10.32% obtained from Newport Corporation. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Stress analysis of hydride bed vessels used for tritium storage

    International Nuclear Information System (INIS)

    McKillip, S.T.; Bannister, C.E.; Clark, E.A.

    1991-01-01

    A prototype hydride storage bed, using LaNi 4.25 Al 0.75 as the storage material, was fitted with strain gages to measure strains occurring in the stainless steel bed vessel caused by expansion of the storage powder upon uptake of hydrogen. The strain remained low in the bed as hydrogen was added, up to a bed loading of about 0.5 hydrogen to metal atom ratio (H/M). The strain then increased with increasing hydrogen loading (∼ 0.8 H/M). Different locations exhibited greatly different levels of maximum strain. In no case was the design stress of the vessel exceeded

  12. Identification and characterization of a new Zirconium hydride

    International Nuclear Information System (INIS)

    Zhao, Z.

    2007-01-01

    In order to control the integrity of the fuel clad, alloy of zirconium, it is necessary to predict the behavior of zirconium hydrides in the environment (temperature, stress...), at a microscopic scale. A characterization study by TEM of hydrides has been realized. It shows little hydrides about 500 nm, in hydride Zircaloy 4. Then a more detailed study identified a new hydride phase presented in this paper. (A.L.B.)

  13. Hydride heat pump with heat regenerator

    Science.gov (United States)

    Jones, Jack A. (Inventor)

    1991-01-01

    A regenerative hydride heat pump process and system is provided which can regenerate a high percentage of the sensible heat of the system. A series of at least four canisters containing a lower temperature performing hydride and a series of at least four canisters containing a higher temperature performing hydride is provided. Each canister contains a heat conductive passageway through which a heat transfer fluid is circulated so that sensible heat is regenerated. The process and system are useful for air conditioning rooms, providing room heat in the winter or for hot water heating throughout the year, and, in general, for pumping heat from a lower temperature to a higher temperature.

  14. Hydride observations using the neutrography technique

    International Nuclear Information System (INIS)

    Meyer, G.; Baruj, A.; Borzone, E.M.; Cardenas, R.; Szames, E.; Somoza, J.; Rivas, S.; Sanchez, F.A.; Marin, J.

    2012-01-01

    Neutron radiography observations were performed at the RA-6 experimental nuclear facility in Bariloche. Images from a prototype of a hydride-based hydrogen storage device have been obtained. The technique allows visualizing the inner hydride space distribution. The hydride appeared compacted at the lower part of the prototype after several cycles of hydrogen charge and discharge. The technique has also been applied to the study of Zr/ZrH 2 samples. There is a linear relation between the sample width/hydrogen concentration and the photograph grey scale. This information could be useful for the study of nuclear engineering materials and to determine their possible degradation by hydrogen pick up (author)

  15. The Oxidation Products of Aluminum Hydride and Boron Aluminum Hydride Clusters

    Science.gov (United States)

    2016-01-04

    AFRL-AFOSR-VA-TR-2016-0075 The Oxidation Products of Aluminum Hydride and Boron Aluminum Hydride Clusters KIT BOWEN JOHNS HOPKINS UNIV BALTIMORE MD...2. REPORT TYPE Final Performance 3. DATES COVERED (From - To) 30-09-2014 to 29-09-2015 4. TITLE AND SUBTITLE The Oxidation Products of Aluminum ...Hydride and Boron Aluminum Hydride Clusters 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA9550-14-1-0324 5c.  PROGRAM ELEMENT NUMBER 61102F 6. AUTHOR(S) KIT

  16. Ternary Weighted Function and Beurling Ternary Banach Algebra l1ω(S

    Directory of Open Access Journals (Sweden)

    Mehdi Dehghanian

    2011-01-01

    Full Text Available Let S be a ternary semigroup. In this paper, we introduce our notation and prove some elementary properties of a ternary weight function ω on S. Also, we make ternary weighted algebra l1ω(S and show that l1ω(S is a ternary Banach algebra.

  17. An Investigation on the Persistence of Uranium Hydride during Storage of Simulant Nuclear Waste Packages.

    Science.gov (United States)

    Stitt, C A; Harker, N J; Hallam, K R; Paraskevoulakos, C; Banos, A; Rennie, S; Jowsey, J; Scott, T B

    2015-01-01

    Synchrotron X-rays have been used to study the oxidation of uranium and uranium hydride when encapsulated in grout and stored in de-ionised water for 10 months. Periodic synchrotron X-ray tomography and X-ray powder diffraction have allowed measurement and identification of the arising corrosion products and the rates of corrosion. The oxidation rates of the uranium metal and uranium hydride were slower than empirically derived rates previously reported for each reactant in an anoxic water system, but without encapsulation in grout. This was attributed to the grout acting as a physical barrier limiting the access of oxidising species to the uranium surface. Uranium hydride was observed to persist throughout the 10 month storage period and industrial consequences of this observed persistence are discussed.

  18. An Investigation on the Persistence of Uranium Hydride during Storage of Simulant Nuclear Waste Packages.

    Directory of Open Access Journals (Sweden)

    C A Stitt

    Full Text Available Synchrotron X-rays have been used to study the oxidation of uranium and uranium hydride when encapsulated in grout and stored in de-ionised water for 10 months. Periodic synchrotron X-ray tomography and X-ray powder diffraction have allowed measurement and identification of the arising corrosion products and the rates of corrosion. The oxidation rates of the uranium metal and uranium hydride were slower than empirically derived rates previously reported for each reactant in an anoxic water system, but without encapsulation in grout. This was attributed to the grout acting as a physical barrier limiting the access of oxidising species to the uranium surface. Uranium hydride was observed to persist throughout the 10 month storage period and industrial consequences of this observed persistence are discussed.

  19. Titanium tritide radioisotope heat source development: palladium-coated titanium hydriding kinetics and tritium loading tests

    International Nuclear Information System (INIS)

    Van Blarigan, Peter; Shugard, Andrew D.; Walters, R. Tom

    2012-01-01

    We have found that a 180 nm palladium coating enables titanium to be loaded with hydrogen isotopes without the typical 400-500 C vacuum activation step. The hydriding kinetics of Pd coated Ti can be described by the Mintz-Bloch adherent film model, where the rate of hydrogen absorption is controlled by diffusion through an adherent metal-hydride layer. Hydriding rate constants of Pd coated and vacuum activated Ti were found to be very similar. In addition, deuterium/tritium loading experiments were done on stacks of Pd coated Ti foil in a representative-size radioisotope heat source vessel. The experiments demonstrated that such a vessel could be loaded completely, at temperatures below 300 C, in less than 10 hours, using existing department-of-energy tritium handling infrastructure.

  20. High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Daniel A. Mosher; Xia Tang; Ronald J. Brown; Sarah Arsenault; Salvatore Saitta; Bruce L. Laube; Robert H. Dold; Donald L. Anton

    2007-07-27

    This final report describes the motivations, activities and results of the hydrogen storage independent project "High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides" performed by the United Technologies Research Center under the Department of Energy Hydrogen Program, contract # DE-FC36-02AL67610. The objectives of the project were to identify and address the key systems technologies associated with applying complex hydride materials, particularly ones which differ from those for conventional metal hydride based storage. This involved the design, fabrication and testing of two prototype systems based on the hydrogen storage material NaAlH4. Safety testing, catalysis studies, heat exchanger optimization, reaction kinetics modeling, thermochemical finite element analysis, powder densification development and material neutralization were elements included in the effort.

  1. Tritium removal using vanadium hydride

    International Nuclear Information System (INIS)

    Hill, F.B.; Wong, Y.W.; Chan, Y.N.

    1978-01-01

    The results of an initial examination of the feasibility of separation of tritium from gaseous protium-tritium mixtures using vanadium hydride in cyclic processes is reported. Interest was drawn to the vanadium-hydrogen system because of the so-called inverse isotope effect exhibited by this system. Thus the tritide is more stable than the protide, a fact which makes the system attractive for removal of tritium from a mixture in which the light isotope predominates. The initial results of three phases of the research program are reported, dealing with studies of the equilibrium and kinetics properties of isotope exchange, development of an equilibrium theory of isotope separation via heatless adsorption, and experiments on the performance of a single heatless adsorption stage. In the equilibrium and kinetics studies, measurements were made of pressure-composition isotherms, the HT--H 2 separation factors and rates of HT--H 2 exchange. This information was used to evaluate constants in the theory and to understand the performance of the heatless adsorption experiments. A recently developed equilibrium theory of heatless adsorption was applied to the HT--H 2 separation using vanadium hydride. Using the theory it was predicted that no separation would occur by pressure cycling wholly within the β phase but that separation would occur by cycling between the β and γ phases and using high purge-to-feed ratios. Heatless adsorption experiments conducted within the β phase led to inverse separations rather than no separation. A kinetic isotope effect may be responsible. Cycling between the β and γ phases led to separation but not to the predicted complete removal of HT from the product stream, possibly because of finite rates of exchange. Further experimental and theoretical work is suggested which may ultimately make possible assessment of the feasibility and practicability of hydrogen isotope separation by this approach

  2. Constructing ternary polyaniline-graphene-TiO{sub 2} hybrids with enhanced photoelectrochemical performance in photo-generated cathodic protection

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Weiwei, E-mail: vivizhg@yahoo.com [College of Material Science and Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); State Key Laboratory of Mining Disaster Prevention and Control Co-founded by Shandong Province and the Ministry of Science and Technology, Shandong University of Science and Technology, Qingdao, 266590 (China); Guo, Hanlin; Sun, Haiqing [College of Material Science and Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); Zeng, Rongchang [College of Material Science and Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); State Key Laboratory of Mining Disaster Prevention and Control Co-founded by Shandong Province and the Ministry of Science and Technology, Shandong University of Science and Technology, Qingdao, 266590 (China)

    2017-07-15

    Highlights: • Ternary polyaniline-graphene-TiO{sub 2} hybrids were synthesized. • Flat band potential shift facilitates electron injection to the coupled metal. • Electrons and holes transfer in the hybrids promotes electron–hole separation. • Synergistic effects of the ternary components make the hybrids photo-chargeable. - Abstract: Ternary polyaniline-graphene-TiO{sub 2} nanocomposites were constructed through a stepwise synthetic route. The hybrids exhibit remarkable enhancement in photoelectrochemical performance. The transfer of photo-excited carriers in the ternary composites facilitates the photo-induced electron-hole separation. Meanwhile, the flat band potential shift of the hybrids increases the inner electric field intensity that drives the photo-excited electron migration from the composites to the coupled metal. Furthermore, the ternary hybrids were found firstly to be photo-chargeable, which shows application potentials in photo-generated cathodic protection in dark.

  3. Multi-scale characterization of nanostructured sodium aluminum hydride

    Science.gov (United States)

    NaraseGowda, Shathabish

    Complex metal hydrides are the most promising candidate materials for onboard hydrogen storage. The practicality of this class of materials is counter-poised on three critical attributes: reversible hydrogen storage capacity, high hydrogen uptake/release kinetics, and favorable hydrogen uptake/release thermodynamics. While a majority of modern metallic hydrides that are being considered are those that meet the criteria of high theoretical storage capacity, the challenges lie in addressing poor kinetics, thermodynamics, and reversibility. One emerging strategy to resolve these issues is via nanostructuring or nano-confinement of complex hydrides. By down-sizing and scaffolding them to retain their nano-dimensions, these materials are expected to improve in performance and reversibility. This area of research has garnered immense interest lately and there is active research being pursued to address various aspects of nanostructured complex hydrides. The research effort documented here is focused on a detailed investigation of the effects of nano-confinement on aspects such as the long range atomic hydrogen diffusivities, localized hydrogen dynamics, microstructure, and dehydrogenation mechanism of sodium alanate. A wide variety of microporous and mesoporous materials (metal organic frameworks, porous silica and alumina) were investigated as scaffolds and the synthesis routes to achieve maximum pore-loading are discussed. Wet solution infiltration technique was adopted using tetrahydrofuran as the medium and the precursor concentrations were found to have a major role in achieving maximum pore loading. These concentrations were optimized for each scaffold with varying pore sizes and confinement was quantitatively characterized by measuring the loss in specific surface area. This work is also aimed at utilizing neutron and synchrotron x-ray characterization techniques to study and correlate multi-scale material properties and phenomena. Some of the most advanced

  4. Influence of hydrides orientation on strain, damage and failure of hydrided zircaloy-4

    International Nuclear Information System (INIS)

    Racine, A.

    2005-09-01

    In pressurized water reactors of nuclear power plants, fuel pellets are contained in cladding tubes, made of Zirconium alloy, for instance Zircaloy-4. During their life in the primary water of the reactor (155 bars, 300 C), cladding tubes are oxidized and consequently hydrided. A part of the hydrogen given off precipitates as Zirconium hydrides in the bulk material and embrittles the material. This embrittlement depends on many parameters, among which hydrogen content and orientation of hydrides with respect to the applied stress. This investigation is devoted to the influence of the orientation of hydrides with respect to the applied stress on strain, damage and failure mechanisms. Macroscopic and SEM in-situ ring tensile tests are performed on cladding tube material (unirradiated cold worked stress-relieved Zircaloy-4) hydrided with about 200 and 500 wppm hydrogen, and with different main hydrides orientation: either parallel or perpendicular to the circumferential tensile direction. We get the mechanical response of the material as a function of hydride orientation and hydrogen content and we investigate the deformation, damage and failure mechanisms. In both cases, digital image correlation techniques are used to estimate local and global strain distributions. Neither the tensile stress-strain response nor the global and local strain modes are significantly affected by hydrogen content or hydride orientation, but the failure modes are strongly modified. Indeed, only 200 wppm radial hydrides embrittle Zy-4: sample fail in the elastic domain at about 350 MPa before strain bands could develop; whereas in other cases sample reach at least 750 MPa before necking and final failure, in ductile or brittle mode. To model this particular heterogeneous material behavior, a non-coupled damage approach which takes into account the anisotropic distribution of the hydrides is proposed. Its parameters are identified from the macroscopic strain field measurements and a

  5. Direct femtosecond observation of charge carrier recombination in ternary semiconductor nanocrystals: The effect of composition and shelling

    KAUST Repository

    Bose, Riya; Ahmed, Ghada H.; Alarousu, Erkki; Parida, Manas R.; Abdelhady, Ahmed L.; Bakr, Osman; Mohammed, Omar F.

    2015-01-01

    Heavy-metal free ternary semiconductor nanocrystals are emerging as key materials in photoactive applications. However, the relative abundance of intra-bandgap defect states and lack of understanding of their origins within this class

  6. Tetragonal ternary borides: superconductivity, ferromagnetism and the role of scandium

    International Nuclear Information System (INIS)

    Matthias, B.T.; Patel, C.K.N.; Barz, H.; Corenzwit, E.; Vandenberg, J.M.

    1978-01-01

    The authors report and discuss two discoveries made while studying the condensation phenomena of ternary rhodium borides, MRh 4 B 4 . M is generally a trivalent transition metal, usually a rare earth element RE. An exception is scandium which by itself does not form an isomorphous boride, but in combination with many other elements will do just that. A suprising correlation between ferromagnetic and superconducting transition temperatures has been found. (Auth.)

  7. True ternary fission in 310126X

    International Nuclear Information System (INIS)

    Banupriya, B.; Vijayaraghavan, K.R.; Balasubramaniam, M.

    2015-01-01

    All possible combinations are minimized by the two dimensional minimization process and minimized with respect to neutron numbers and proton numbers of the fragments. Potential energy is low and Q - value is high at true ternary fission region. It shows that true ternary mode is the dominant mode in the ternary fission of superheavy nuclei. Also, the results show that the fragments with neutron magic numbers are the dominant one in the ternary fission of superheavy nuclei whereas the fragments with proton magic numbers are the dominant one in the ternary fission of heavy nuclei

  8. Development and application of high strength ternary boride base cermets

    International Nuclear Information System (INIS)

    Takagi, Ken-ichi

    2006-01-01

    Reaction boronizing sintering is a novel strategy to form a ternary boride coexisting with a metal matrix in a cermet during liquid phase sintering. This new sintering technique has successfully developed world first ternary boride base cermets with excellent mechanical properties such as Mo 2 FeB 2 , Mo 2 NiB 2 and WCoB base ones. In these cermets Mo 2 FeB 2 and Mo 2 NiB 2 base ones consist of a tetragonal M 3 B 2 (M: metal)-type complex boride as a hard phase and a transition metal base matrix. The cermets have already been applied to wear resistant applications such as injection molding machine parts, can making tools, and hot copper extruding dies, etc. This paper focuses on the characteristics, effects of the additional elements on the mechanical properties and structure, and practical applications of the ternary boride base cermets. - Graphical abstract: TRS and hardness of Ni-5B-51Mo-17.5Cr and Ni-5B-51Mo-12.5Cr-5V-xMn mass% cermets as functions of Mn content (Fig. 17)

  9. gamma-Zr-Hydride Precipitate in Irradiated Massive delta- Zr-Hydride

    DEFF Research Database (Denmark)

    Warren, M. R.; Bhattacharya, D. K.

    1975-01-01

    During examination of A Zircaloy-2-clad fuel pin, which had been part of a test fuel assembly in a boiling water reactor, several regions of severe internal hydriding were noticed in the upper-plenum end of the pin. Examination of similar fuel pins has shown that hydride of this type is caused by...... to irradiation-induced swelling....

  10. A New Class of Atomically Precise, Hydride-Rich Silver Nanoclusters Co-Protected by Phosphines

    KAUST Repository

    Bootharaju, Megalamane Siddaramappa

    2016-10-10

    Thiols and phosphines are the most widely used organic ligands to attain atomically precise metal nanoclusters (NCs). Here, we used simple hydrides (e.g., H–) as ligands along with phosphines, such as triphenylphosphine (TPP), 1,2-bis(diphenylphosphino)ethane [DPPE], and tris(4-fluorophenyl)phosphine [TFPP] to design and synthesize a new class of hydride-rich silver NCs. This class includes [Ag18H16(TPP)10]2+, [Ag25H22(DPPE)8]3+, and [Ag26H22(TFPP)13]2+. Our work reveals a new family of atomically precise NCs protected by H– ligands and labile phosphines, with potentially more accessible active metal sites for functionalization and provides a new set of stable NC sizes with simpler ligand–metal bonding for researchers to explore both experimentally and computationally.

  11. Enhancement of Hydrogen Storage Behavior of Complex Hydrides via Bimetallic Nanocatalysts Doping

    Directory of Open Access Journals (Sweden)

    Prakash C. Sharma

    2012-10-01

    Full Text Available Pristine complex quaternary hydride (LiBH4/2LiNH2 and its destabilized counterpart (LiBH4/2LiNH2/nanoMgH2 have recently shown promising reversible hydrogen storage capacity under moderate operating conditions. The destabilization of complex hydride via nanocrystalline MgH2 apparently lowers the thermodynamic heat values and thus enhances the reversible hydrogen storage behavior at moderate temperatures. However, the kinetics of these materials is rather low and needs to be improved for on-board vehicular applications. Nanocatalyst additives such as nano Ni, nano Fe, nano Co, nano Mn and nano Cu at low concentrations on the complex hydride host structures have demonstrated a reduction in the decomposition temperature and overall increase in the hydrogen desorption reaction rates. Bi-metallic nanocatalysts such as the combination of nano Fe and nano Ni have shown further pronounced kinetics enhancement in comparison to their individual counterparts. Additionally, the vital advantage of using bi-metallic nanocatalysts is to enable the synergistic effects and characteristics of the two transitional nanometal species on the host hydride matrix for the optimized hydrogen storage behavior.

  12. A novel magnesium-vanadium hydride synthesized by a gigapascal-high-pressure technique

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-07-28

    A magnesium-based vanadium-doped hydride was prepared in a high-pressure anvil cell by reacting a MgH{sub 2}-25%V molar mixture at 8 GPa and 873 K. The new magnesium-vanadium hydride has a cubic F-centred substructure (a=4.721(1) Angst), with an additional superstructure, which could be described by a doubling of the cubic cell axis and a magnesium atom framework, including an ordered arrangement of both vanadium atoms and vacancies (a=9.437(3) Angst, space group Fm3-bar m (no. 225), Z=4, V=840.55 Angst{sup 3}). The metal atom structure is related to the Ca{sub 7}Ge type structure but the refined metal atom composition with vacancies on one of the magnesium sites corresponding to Mg{sub 6}V nearly in line with EDX analysis. The thermal properties of the new compound were also studied by TPD analysis and TG-DTA. The onset of the hydrogen desorption for the new Mg{sub 6}V hydride occurred at a 160 K lower temperature when compared to magnesium hydride at a heating rate of 10 K/min.

  13. Advanced chemical hydride-based hydrogen generation/storage system for fuel cell vehicles

    Energy Technology Data Exchange (ETDEWEB)

    Breault, R.W.; Rolfe, J. [Thermo Power Corp., Waltham, MA (United States)

    1998-08-01

    Because of the inherent advantages of high efficiency, environmental acceptability, and high modularity, fuel cells are potentially attractive power supplies. Worldwide concerns over clean environments have revitalized research efforts on developing fuel cell vehicles (FCV). As a result of intensive research efforts, most of the subsystem technology for FCV`s are currently well established. These include: high power density PEM fuel cells, control systems, thermal management technology, and secondary power sources for hybrid operation. For mobile applications, however, supply of hydrogen or fuel for fuel cell operation poses a significant logistic problem. To supply high purity hydrogen for FCV operation, Thermo Power`s Advanced Technology Group is developing an advanced hydrogen storage technology. In this approach, a metal hydride/organic slurry is used as the hydrogen carrier and storage media. At the point of use, high purity hydrogen will be produced by reacting the metal hydride/organic slurry with water. In addition, Thermo Power has conceived the paths for recovery and regeneration of the spent hydride (practically metal hydroxide). The fluid-like nature of the spent hydride/organic slurry will provide a unique opportunity for pumping, transporting, and storing these materials. The final product of the program will be a user-friendly and relatively high energy storage density hydrogen supply system for fuel cell operation. In addition, the spent hydride can relatively easily be collected at the pumping station and regenerated utilizing renewable sources, such as biomass, natural, or coal, at the central processing plants. Therefore, the entire process will be economically favorable and environmentally friendly.

  14. An AC impedance study of self-discharge mechanism of nickel-metal hydride (Ni-MH) battery using Mg{sub 2}Ni-type hydrogen storage alloy anode

    Energy Technology Data Exchange (ETDEWEB)

    Cui, N.; Luo, J.L. [University of Alberta, Edmonton, Alberta (Canada). Department of Chemical and Materials Engineering

    2000-07-01

    The self-discharge mechanism during storage in open-circuit states of a Ni-MH battery using a Mg{sub 2}Ni-type hydrogen storage alloy anode was investigated by electrochemical impedance spectroscopy (EIS) and X-ray diffraction (XRD). The loss of discharge capacity for this battery can be ascribed to two causes: (i) desorption of hydrogen from the Mg{sub 1.95}Y{sub 0.05}Ni{sub 0.92}Al{sub 0.08} hydride anode; and (ii) anode surface degradation resulting from oxidation of the magnesium alloy in the electrolyte. At the higher open-circuit voltages (OCV), the former was mainly responsible for a high self-discharge rate, while the latter might dominate the loss of capacity at the lower OCV. XRD results confirmed that Mg(OH){sub 2} formed on the magnesium alloy anode after storage in an open-circuit condition for 20 days. (author)

  15. Experimental investigation of phase equilibria in the Zr-Cu-Ni ternary system

    International Nuclear Information System (INIS)

    Yang, Mujin; Wang, Cuiping; Yang, Shuiyuan; Shi, Zhan; Han, Jiajia; Liu, Xingjun

    2017-01-01

    The phase equilibria in the Zr-Cu-Ni ternary system are investigated combined with X-ray diffraction, electron probe micro-analysis and differential scanning calorimetry. Two isothermal sections of the Zr-Cu-Ni ternary system at 1 000 C and 1 100 C are experimentally established. Most of the binary intermetallic compounds, e.g. Zr 7 Ni 10 , ZrNi, ZrNi 5 , Zr 14 Cu 51 , and Zr 2 Cu 9 , show a remarkable ternary solubility. A new ternary compound named τ 3 (Zr 31.1-30.7 . Cu 28.5-40.3 Ni 40.4-29.0 ) is detected at 1 000 C and dissolved at 1 020 C because the nearby large liquid phase field further expands. The newly determined phase equilibria will provide important information for both thermodynamic assessment and alloy design of Zr-based metallic glass.

  16. Synthesis of Nano-Light Magnesium Hydride for Hydrogen Storage ...

    African Journals Online (AJOL)

    Abstract. Nano-light magnesium hydride that has the capability for hydrogen storage was synthesized from treatment of magnesium ribbon with hydrogen peroxide. The optimum time for complete hydrogenation of the magnesium hydride was 5 hours.

  17. High H⁻ ionic conductivity in barium hydride.

    Science.gov (United States)

    Verbraeken, Maarten C; Cheung, Chaksum; Suard, Emmanuelle; Irvine, John T S

    2015-01-01

    With hydrogen being seen as a key renewable energy vector, the search for materials exhibiting fast hydrogen transport becomes ever more important. Not only do hydrogen storage materials require high mobility of hydrogen in the solid state, but the efficiency of electrochemical devices is also largely determined by fast ionic transport. Although the heavy alkaline-earth hydrides are of limited interest for their hydrogen storage potential, owing to low gravimetric densities, their ionic nature may prove useful in new electrochemical applications, especially as an ionically conducting electrolyte material. Here we show that barium hydride shows fast pure ionic transport of hydride ions (H(-)) in the high-temperature, high-symmetry phase. Although some conductivity studies have been reported on related materials previously, the nature of the charge carriers has not been determined. BaH2 gives rise to hydride ion conductivity of 0.2 S cm(-1) at 630 °C. This is an order of magnitude larger than that of state-of-the-art proton-conducting perovskites or oxide ion conductors at this temperature. These results suggest that the alkaline-earth hydrides form an important new family of materials, with potential use in a number of applications, such as separation membranes, electrochemical reactors and so on.

  18. Economic analysis of hydride fueled BWR

    International Nuclear Information System (INIS)

    Ganda, F.; Shuffler, C.; Greenspan, E.; Todreas, N.

    2009-01-01

    The economic implications of designing BWR cores with hydride fuels instead of conventional oxide fuels are analyzed. The economic analysis methodology adopted is based on the lifetime levelized cost of electricity (COE). Bracketing values (1970 and 3010 $/kWe) are used for the overnight construction costs and for the power scaling factors (0.4 and 0.8) that correlate between a change in the capital cost to a change in the power level. It is concluded that a newly constructed BWR reactor could substantially benefit from the use of 10 x 10 hydride fuel bundles instead of 10 x 10 oxide fuel bundles design presently in use. The cost saving would depend on the core pressure drop constraint that can be implemented in newly constructed BWRs - it is between 2% and 3% for a core pressure drop constraint as of the reference BWR, between 9% and 15% for a 50% higher core pressure drop, and between 12% and 21% higher for close to 100% core pressure. The attainable cost reduction was found insensitive to the specific construction cost but strongly dependent on the power scaling factor. The cost advantage of hydride fuelled cores as compared to that of the oxide reference core depends only weakly on the uranium and SWU prices, on the 'per volume base' fabrication cost of hydride fuels, and on the discount rate used. To be economically competitive, the uranium enrichment required for the hydride fuelled core needs to be around 10%.

  19. Experimental investigation of strain, damage and failure of hydrided zircaloy-4 with various hydride orientations

    International Nuclear Information System (INIS)

    Racine, A; Catherine, C.S.; Cappelaere, C.; Bornert, M.; Caldemaison, D.

    2005-01-01

    This experimental investigation is devoted to the influence of the orientation of hydrides on the mechanical response of Zircaloy-4. Ring tensile tests are performed on unirradiated CWSR Zircaloy-4, charged with about 200 or 500wppm hydrogen. Hydrides are oriented either parallel ('tangential'), or perpendicular ('radial') to the circumferential tensile direction. Tangential hydrides are usually observed in cladding tubes, however, hydrides can be reoriented after cooling under stress to become radial and then trigger brittle behavior. In this investigation, we perform, 'macroscopic' or SEM in-situ tensile tests on smooth rings, at room temperature. We get the mechanical response of the material as a function of hydride orientation and hydrogen content and we investigate the deformation, damage and failure mechanisms. In both cases, digital image correlation techniques are used to estimate local and global strain distributions. The results lead to the following conclusions: neither the tensile stress-strain response nor the strain modes are affected by hydrogen content or hydride orientation, but the failure modes are. Indeed, only 200wppm radial hydrides embrittle Zy-4: sample fails in the elastic domain at about 350 MPa before strain bands could develop; whereas in other cases samples reach at least 750 MPa before failure, with ductile or brittle mode. (authors)

  20. Method for converting uranium oxides to uranium metal

    Science.gov (United States)

    Duerksen, Walter K.

    1988-01-01

    A process is described for converting scrap and waste uranium oxide to uranium metal. The uranium oxide is sequentially reduced with a suitable reducing agent to a mixture of uranium metal and oxide products. The uranium metal is then converted to uranium hydride and the uranium hydride-containing mixture is then cooled to a temperature less than -100.degree. C. in an inert liquid which renders the uranium hydride ferromagnetic. The uranium hydride is then magnetically separated from the cooled mixture. The separated uranium hydride is readily converted to uranium metal by heating in an inert atmosphere. This process is environmentally acceptable and eliminates the use of hydrogen fluoride as well as the explosive conditions encountered in the previously employed bomb-reduction processes utilized for converting uranium oxides to uranium metal.

  1. Some new ternary linear codes

    Directory of Open Access Journals (Sweden)

    Rumen Daskalov

    2017-07-01

    Full Text Available Let an $[n,k,d]_q$ code be a linear code of length $n$, dimension $k$ and minimum Hamming distance $d$ over $GF(q$. One of the most important problems in coding theory is to construct codes with optimal minimum distances. In this paper 22 new ternary linear codes are presented. Two of them are optimal. All new codes improve the respective lower bounds in [11].

  2. Ternary carbide uranium fuels for advanced reactor design applications

    International Nuclear Information System (INIS)

    Knight, Travis; Anghaie, Samim

    1999-01-01

    Solid-solution mixed uranium/refractory metal carbides such as the pseudo-ternary carbide, (U, Zr, Nb)C, hold significant promise for advanced reactor design applications because of their high thermal conductivity and high melting point (typically greater than 3200 K). Additionally, because of their thermochemical stability in a hot-hydrogen environment, pseudo-ternary carbides have been investigated for potential space nuclear power and propulsion applications. However, their stability with regard to sodium and improved resistance to attack by water over uranium carbide portends their usefulness as a fuel for advanced terrestrial reactors. An investigation into processing techniques was conducted in order to produce a series of (U, Zr, Nb)C samples for characterization and testing. Samples with densities ranging from 91% to 95% of theoretical density were produced by cold pressing and sintering the mixed constituent carbides at temperatures as high as 2650 K. (author)

  3. Experimental Investigation of Ternary Alloys for Fusion Breeding Blankets

    Energy Technology Data Exchange (ETDEWEB)

    Choi, B. William [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Chiu, Ing L. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-10-26

    Future fusion power plants based on the deuterium-tritium (DT) fuel cycle will be required to breed the T fuel via neutron reactions with lithium, which will be incorporated in a breeding blanket that surrounds the fusion source. Recent work by LLNL proposed the used of liquid Li as the breeder in an inertial fusion energy (IFE) power plant. Subsequently, an LDRD was initiated to develop alternatives ternary alloy liquid metal breeders that have reduced chemical reactivity with water and air compared to pure Li. Part of the work plan was to experimentally investigate the phase diagrams of ternary alloys. Of particular interest was measurement of the melt temperature, which must be low enough to be compatible with the temperature limits of the steel used in the construction of the chamber and heat transfer system.

  4. Stress induced reorientation of vanadium hydride

    International Nuclear Information System (INIS)

    Beardsley, M.B.

    1977-10-01

    The critical stress for the reorientation of vanadium hydride was determined for the temperature range 180 0 to 280 0 K using flat tensile samples containing 50 to 500 ppM hydrogen by weight. The critical stress was observed to vary from a half to a third of the macroscopic yield stress of pure vanadium over the temperature range. The vanadium hydride could not be stress induced to precipitate above its stress-free precipitation temperature by uniaxial tensile stresses or triaxial tensile stresses induced by a notch

  5. In situ hydride formation in titanium during focused ion milling.

    Science.gov (United States)

    Ding, Rengen; Jones, Ian P

    2011-01-01

    It is well known that titanium and its alloys are sensitive to electrolytes and thus hydrides are commonly observed in electropolished foils. In this study, focused ion beam (FIB) milling was used to prepare thin foils of titanium and its alloys for transmission electron microscopy. The results show the following: (i) titanium hydrides were observed in pure titanium, (ii) the preparation of a bulk sample in water or acid solution resulted in the formation of more hydrides and (iii) FIB milling aids the precipitation of hydrides, but there were never any hydrides in Ti64 and Ti5553.

  6. Effects of δ-hydride precipitation at a crack tip on crack propagation in delayed hydride cracking of Zircaloy-2

    Energy Technology Data Exchange (ETDEWEB)

    Kubo, T., E-mail: kubo@nfd.co.jp [Nippon Nuclear Fuel Development Co., Ltd., 2163 Narita-cho, Oarai-machi, Ibaraki 311-1313 (Japan); Kobayashi, Y. [M.O.X. Co., Ltd., 1828-520 Hirasu-cho, Mito, Ibaraki 311-0853 (Japan)

    2013-08-15

    Highlights: • Steady state crack velocity of delayed hydride cracking in Zircaloy-2 was analyzed. • A large stress peak is induced at an end of hydride by volume expansion of hydride. • Hydrogen diffuses to the stress peak, thereby accelerating steady hydride growth. • Crack velocity was estimated from the calculated hydrogen flux into the stress peak. • There was good agreement between calculation results and experimental data. -- Abstract: Delayed hydride cracking (DHC) of Zircaloy-2 is one possible mechanism for the failure of boiling water reactor fuel rods in ramp tests at high burnup. Analyses were made for hydrogen diffusion around a crack tip to estimate the crack velocity of DHC in zirconium alloys, placing importance on effects of precipitation of δ-hydride. The stress distribution around the crack tip is significantly altered by precipitation of hydride, which was strictly analyzed using a finite element computer code. Then, stress-driven hydrogen diffusion under the altered stress distribution was analyzed by a differential method. Overlapping of external stress and hydride precipitation at a crack tip induces two stress peaks; one at a crack tip and the other at the front end of the hydride precipitate. Since the latter is larger than the former, more hydrogen diffuses to the front end of the hydride precipitate, thereby accelerating hydride growth compared with that in the absence of the hydride. These results indicated that, after hydride was formed in front of the crack tip, it grew almost steadily accompanying the interaction of hydrogen diffusion, hydride growth and the stress alteration by hydride precipitation. Finally, crack velocity was estimated from the calculated hydrogen flux into the crack tip as a function of temperature, stress intensity factor and material strength. There was qualitatively good agreement between calculation results and experimental data.

  7. New Promising Hydride Based on the Cu-Li-Mg System

    Energy Technology Data Exchange (ETDEWEB)

    Braga, M H; Acatrinei, A; Hartl, M; Vogel, S; Proffen, Th; Daemen, L, E-mail: mbraga@lanl.gov

    2010-11-01

    We investigated the ternary Cu-Li-Mg system, in particular the CuLi{sub x}Mg{sub 2-x} (x = 0.08) for hydrogen storage. Instead of crystallizing in an orthorhombic phase, as CuMg2, this phase presents a hexagonal structure very similar to that of NiMg{sub 2} and NiMg{sub 2}H{sub 0.3}. In this work we will discuss the structure of CuLi{sub x}Mg{sub 2-x} by the analysis of the neutron scattering data and first principles calculations. The first results for a hydride (deuteride) phase will also mentioned since preliminary studies at LANSCE showed that CuLi{sub x}Mg{sub 2-x} might absorb approximately 5.3 to 6 wt% of H at an equilibrium pressure of approximately 27 bar at 200 deg. C. If these results are confirmed in future work, this will mean that, not only CuLi{sub x}Mg{sub 2-x} absorbs a considerable amount of hydrogen (close to DOE's expectations for hydrogen storage materials), but also will probably release it at a temperature in the range of 50 to 150 deg. C, where applications are easier to develop. Hence it should be possible to use this alloy with fuel cells or in batteries. Another important observation is that cycling has a strong effect on the structure of the hydride.

  8. Characterisation of hydrides in a zirconium alloy, by EBSD

    International Nuclear Information System (INIS)

    Ubhi, H.S.; Larsen, K.

    2012-01-01

    Zirconium alloys are used in nuclear reactors owing to their low capture cross-section for thermal neutrons and good mechanical and corrosion properties. However, they do suffer from delayed hydrogen cracking (DHC) due to formation of hydride particles. This study shows how the electron back-scatter diffraction (EBSD) technique can be used to characterise hydrides and their orientation relationship with the matrix. Hydrided EB weld specimens were prepared by electro-polishing, characterised using Oxford instruments AZtecHKL EBSD apparatus and software attached to a FEG SEM. Hydrides were found to exist as fine intra granular plates and having the Blackburn orientation relationship, i.e. (0002)Zr//(111)hydride and (1120)Zr//(1-10)hydride. The hydrides were also found to contain sigma 3 boundaries as well as local misorientations. (author)

  9. A Study on the Radial Hydride Assisted Delayed Hydride Cracking of Zircaloy

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Jin-Ho; Lee, Ji-Min; Kim, Yong-Soo [Hanyang University, Seoul (Korea, Republic of)

    2015-05-15

    Extensive studies have been done on understanding of DHC(Delayed hydride cracking) phenomenon since several zirconium alloy pressure tubes failed in nuclear reactor in the 1970s. Recently, long-term dry storage strategy has been considered seriously in order to manage spent nuclear fuel in Korea and other countries around the world. Consequentially, many researches have been investigated the degradation mechanisms which will threaten the spent fuel integrity during dry storage and showed that hydrogen related phenomenon such as hydride reorientation and DHC are the critical factors. Especially, DHC is the direct cracking mechanism which can cause not only a through-wall defect but also a radiation leak to the environment. In addition, DHC can be enhanced by radial hydride as reported by Kim who demonstrate that radial hydrides clearly act as crack linkage path. This phenomenon is known as the radial hydride assisted DHC (RHA-DHC). Therefore, study on DHC is essential to ensure the safety of spent fuel. Finite element analysis will be carried out for the stress gradient evaluation around notch tip. A variation in thermal cycle which leads to change in hydrogen solid solution trajectory may be required. If the radial hydride precipitates at notch tip, we will investigate what conditions should be met. Ultimately, we will suggest the regulation criteria for long-term dry storage of spent nuclear fuel.

  10. Ternary complex formation of lanthanides and radiolanthanides with phosphate and serum proteins

    International Nuclear Information System (INIS)

    Neumaier, B.; Roesch, F.

    1999-01-01

    Radioyttrium was recently reported to form ternary complexes with phosphate and serum proteins in blood. In the present work it was investigated whether the trivalent radiolanthanides react in a chemically similar way. In systematic binding studies using gel filtration a ternary complex formation between different lanthanides, phosphate and serum proteins could be identified. The tendency to build a ternary compound of the type Ln III - phosphate - serum protein, however, is dependent on the ionic radii of the lanthanides. Whereas the light and transition lanthanides have a strong inclination to build a ternary complex, this tendency is weaker for the heavier ones. Taking into account the high content of phosphate in human blood, the corresponding ternary complexes of radiolanthanides represent an important transport form of these elements in blood. This finding may contribute to an understanding of the nuclear medical observation on the biodistribution of radiolanthanides. The heavy radiolanthanides can be classified as bone seeking metals, whereas the light and transition lanthanide elements accumulate mainly in the liver and the spleen. For the lighter radiolanthanides the corresponding ternary complexes thus represent an important transport form in blood. This physicochemical form of lanthanides mainly results in reticulo endothelial accumulation; on the other hand, the lower tendency of heavier lanthanides leads to preferential skeletal deposition. (orig.)

  11. Method for preparation of uranium hydride

    International Nuclear Information System (INIS)

    Gorski, M.S.; Goncalves, Miriam; Mirage, A.; Lima, W. de.

    1985-01-01

    A method for preparation of Uranium Hydride starting from Hidrogen and Uranium is described. In the temperature range of 250 0 up to 350 0 C, and pressures above 10torr, Hydrogen reacts smoothly with Uranium turnings forming a fine black or dark gray powder (UH 3 ). Samples containing a significant amount of oxides show a delay before the reaction begging. (Author) [pt

  12. Lithium hydride hydrolysis: experimental and kinetic study

    International Nuclear Information System (INIS)

    Charton, S.; Maupoix, C.; Brevet, A.; Delaunay, F.; Heintz, O.; Saviot, L.

    2006-01-01

    In this work has been studied the contribution of various analyses techniques in the framework, on the one hand of revealing the mechanisms implied in lithium hydride hydrolysis, and on the other hand of studying the kinetics of hydrogen production. Among the methods recently investigated, Raman spectroscopy, XPS and SIMS seem to be particularly attractive. (O.M.)

  13. Density of trapped gas in heavily-irradiated lithium hydride

    International Nuclear Information System (INIS)

    Bowman, R.C. Jr.; Attalla, A.; Souers, P.C.; Folkers, C.L.; McCreary, T.; Snider, G.D.; Vanderhoofven, F.; Tsugawa, R.T.

    1988-01-01

    We review old gamma-irradiated lithium hydride data and also display much new bulk and gas-displacement density and nuclear magnetic resonance data on Li(D, T) and LiT at 296 to 373 K. We find that: (1) Li(D, T) swells because of the formation of internal D-T and 3 He gas bubbles, but probably not because of the precipitation of lithium metal; (2) the gas bubbles are at densities of at least 3 to 4x10 4 mol/m 3 , i.e. thousands of atmospheres; (3) outgassing may be largely the result of bubbles rupturing, although diffusion of 3 He as atoms may occur at long times. (orig.)

  14. Hydriding and dehydriding characteristics of small-scale DU and ZrCo beds

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Dongyou; Lee, Jungmin; Koo, Daeseo [Korea Atomic Energy Research Institute, 989-111 Daedeokdaero, Yuseong, Daejeon 305-353 (Korea, Republic of); Chung, Hongsuk, E-mail: hschung1@kaeri.kr [Korea Atomic Energy Research Institute, 989-111 Daedeokdaero, Yuseong, Daejeon 305-353 (Korea, Republic of); Kim, Ki Hwan [Korea Atomic Energy Research Institute, 989-111 Daedeokdaero, Yuseong, Daejeon 305-353 (Korea, Republic of); Kang, Hyun-Goo; Chang, Min Ho [National Fusion Research Institute, 113 Gwahakro, Yuseong, Daejeon 305-333 (Korea, Republic of); Camp, Patrick [ITER Organization, Route de Vinon sur Verdon, 13115 Saint Paul Lez Durance (France); Jung, Ki Jung; Cho, Seungyon; Yun, Sei-Hun; Kim, Chang Shuk [National Fusion Research Institute, 113 Gwahakro, Yuseong, Daejeon 305-333 (Korea, Republic of); Yoshida, Hiroshi [Fusion Science Consultant, 3288-10 Sakado-cho, Mito-shi 310-0841, Ibakaki-ken (Japan); Paek, Seungwoo; Lee, Hansoo [Korea Atomic Energy Research Institute, 989-111 Daedeokdaero, Yuseong, Daejeon 305-353 (Korea, Republic of)

    2013-10-15

    Highlights: • We have designed and fabricated a twosome small-scale getter bed for a comparison of ZrCo with DU on the hydriding/dehydriding properties. • We provide preliminary experimental results of our ZrCo and DU beds. -- Abstract: With the development of fusion technology, it will be necessary to store large amounts of tritium during the nuclear fusion fuel cycle. Stable metal tritides are viewed as potential candidates for the high-density storage of tritium. Metal tritide formers offer a safe and convenient method for tritium storage. For the storage, supply, and recovery of hydrogen isotopes, zirconium cobalt (ZrCo) and depleted uranium (DU) have been extensively proposed. Thus, we have designed and fabricated two identical small-scale getter beds for a comparison of ZrCo with DU on the hydriding/dehydriding properties. After the powderization of the metals, the hydriding/dehydriding performance at different stoichiometries of ZrCo and DU was measured. We provide preliminary experimental results of our ZrCo and DU beds.

  15. Comminution of the U-10Mo by hydriding cycles innovative process

    Energy Technology Data Exchange (ETDEWEB)

    Faeda, Kelly C.M.; Santos, Ana Maria M. dos; Paula, Joao B. de; Pereira, Edilson M.; Pedrosa, Tercio A.; Lameiras, Fernando S.; Ferraz, Wilmar B., E-mail: ferrazw@cdtn.br, E-mail: kelly.faeda@prof.una.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2013-07-01

    The research, test and producing radioisotopes compact reactors were developed with the use of high levels of enriched fuel of approximately 90% of the fissile isotope U-235. Since the 80s', a policy under the context of international program RERTR (Reduced Enrichment for Research and Test Reactors) encourages the fuel replacement of the high enriched fuel by the low one of about 20 % U-235. One way to compensate the substitution for the low enrichment fuel is to employ high density metal uranium alloys. The fabrication of compact reactor fuel uses the metal matrix dispersion and, for this, uranium alloys are used in the form of powders. Despite the high densities, the metallic uranium based alloys are ductile and therefore difficult to be comminuted. Among the different comminution processes, the hydriding-dehydriding process has proved most advantageous, primarily due to their relative simplicity of processing and low manufacturing cost. In this paper, we present the results of the development of the U-10Mo alloy comminution process by the hydriding-dehydriding method on a laboratory scale. Samples of the alloy were subjected to different hydriding cycle numbers in order to verify its influence in relation to the particle size distribution of powders. Powders of different particle sizes were obtained and characterized by the physical and morphological characteristics by optical microscopy, scanning electron microscopy and X ray diffraction. The obtained results are evaluated and discussed. (author)

  16. Atomistic modeling of zirconium hydride precipitation: methodology for deriving a tight-binding potential

    International Nuclear Information System (INIS)

    Dufresne, Alice

    2014-01-01

    The zirconium-hydrogen system is of nuclear safety interest, as the hydride precipitation leads to the cladding embrittlement, which is made of zirconium-based alloys. The cladding is the first safety barrier confining the radioactive products: its integrity shall be kept during the entire fuel-assemblies life, in reactor, including accidental situation, and post-operation (transport and storage). Many uncertainties remain regarding the hydrides precipitation kinetics and the local stress impact on their precipitation. The atomic scale modeling of this system would bring clarifications on the relevant mechanisms. The usual atomistic modeling methods are based on thermo-statistic approaches, whose precision and reliability depend on the interatomic potential used. However, there was no potential allowing a rigorous study of the Zr-H system. The present work has indeed addressed this issue: a new tight-binding potential for zirconium hydrides modeling is now available. Moreover, this thesis provides a detailed manual for deriving such potentials accounting for spd hybridization, and fitted here on DFT results. This guidebook has be written in light of modeling a pure transition metal followed by a metal-covalent coupling (metallic carbides, nitrides and silicides). (author)

  17. The use of masking agents in the determination, by hydride generation and atomic-absorption spectrophotometry, of arsenic, antimony, selenium, tellurium, and bismuth in the presence of noble metals

    International Nuclear Information System (INIS)

    Kellerman, S.P.

    1982-01-01

    The effectiveness of thiosemicarbazide, tellurium, and potassium iodide as masking agents to eliminate interferences was assessed. Thiosemicarbazide was found to be effective in eliminating or reducing the interferences on arsenic, antimony, and bismuth, and tellurium reduced the interferences on selenium. The interferences on tellurium could not be eliminated. Arsenic, antimony, selenium, and bismuth were determined in metal sulphide concentrates that were spiked with the noble metals (defined here as gold plus all the platinum-group metals except osmium). The relative standard deviations for arsenic, antimony, bismuth, and selenium were 0,061, 0,017, 0,029, and 0,145 respectively. The values obtained for all the analytes agreed favourably with the preferred values for two in-house reference samples. The laboratory method is detailed in an appendix

  18. Phase equilibria of the Mo-Al-Ho ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yitai; Chen, Xiaoxian; Liu, Hao [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials; Zhan, Yongzhong [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials; Guangxi Univ., Nanning (China). Center of Ecological Collaborative Innovation for Aluminum Industry

    2017-08-15

    Investigation into the reactions and phase equilibria of transition metal elements (i.e. Mo, Zr, Cr, V and Ti), Al and rare earths is academically and industrially important for the development of both refractory alloys and lightweight high-temperature materials. In this work, the equilibria of the Mo-Al-Ho ternary system at 773 K have been determined by using X-ray powder diffraction and scanning electron microscopy equipped with energy dispersive X-ray analysis. A new ternary phase Al{sub 4}Mo{sub 2}Ho has been found and the other ternary phase Al{sub 43}Mo{sub 4}Ho{sub 6} is observed. Ten binary phases in the Al-Mo and Al-Ho systems, including Al{sub 17}Mo{sub 4} rather than Al{sub 4}Mo, have been determined to exist at 773 K. The homogeneity ranges of AlMo{sub 3} and Al{sub 8}Mo{sub 3} phase are 7.5 at.% and 1 at.%, respectively. According to the phase-disappearing method, the maximum solubility of Al in Mo is about 16 at.%.

  19. Study on the solid state chemistry of ternary uranium oxides

    International Nuclear Information System (INIS)

    Yamashita, Toshiyuki

    1988-03-01

    With the increase of burnup of uranium oxide fuels, various kinds of fission products are formed, and the oxygen atoms combined with the consumed heavy atoms are freed. The solid state chemical and/or thermodynamic properties of these elements at high temperatures are complex, and have not been well clarified. In the present report, an approach was taken that the chemical interactions between UO 2 and these fission products can be regarded as causing overlapped effects of composing ternary uranium oxides, and formation reactions and phase behavior were studied for several ternary uranium oxides with typical fission product elements such as alkaline earth metals and rare earth elements. Precise determination methods for the composition of ternary uranium oxides were developed. The estimated accuracies for x and y values in M y U 1-y O 2+x were ± 0.006 and ± 0.004, respectively. The thermodynamic properties and the lattice parameters of the phases in the Ca-U-O and Pr-U-O systems were discussed in relation to the composition determined by the methods. Crystal structure analyses of cadmium monouranates were made with X-ray diffraction method. (author) 197 refs

  20. Spectrophotometric Determination Of Heavy Metals In Cosmetics

    African Journals Online (AJOL)

    ISSN 1597-6343. Spectrophotometric Determination Of Heavy Metals In Cosmetics ... analysed using atomic absorption spectrophotometer – coupled with a hydride ... presence of arsenic (As), mercury (Hg), cadmium (Cd) and lead. (Pb) in ...

  1. High-Efficient Circuits for Ternary Addition

    Directory of Open Access Journals (Sweden)

    Reza Faghih Mirzaee

    2014-01-01

    Full Text Available New ternary adders, which are fundamental components of ternary addition, are presented in this paper. They are on the basis of a logic style which mostly generates binary signals. Therefore, static power dissipation reaches its minimum extent. Extensive different analyses are carried out to examine how efficient the new designs are. For instance, the ternary ripple adder constructed by the proposed ternary half and full adders consumes 2.33 μW less power than the one implemented by the previous adder cells. It is almost twice faster as well. Due to their unique superior characteristics for ternary circuitry, carbon nanotube field-effect transistors are used to form the novel circuits, which are entirely suitable for practical applications.

  2. Evaluation of ΔGsub(f) values for unstable compounds: a Fortran program for the calculation of ternary phase equilibria

    International Nuclear Information System (INIS)

    Throop, G.J.; Rogl, P.; Rudy, E.

    1978-01-01

    A Fortran IV program was set up for the calculation of phase equilibria and tieline distributions in ternary systems of the type: transition metal-transition metal-nonmetal (interstitial type of solid solutions). The method offers the possibility of determining the thermodynamic values for unstable compounds through their influence upon ternary phase equilibria. The variation of the free enthalpy of formation of ternary solid solutions is calculated as a function of nonmetal content, thus describing the actual curvature of the phase boundaries. The integral and partial molar free enthalpies of formation of binary nonstoichiometric compounds and of phase solutions are expressed as analytical functions of the nonmetal content within their homogeneity range. The coefficient of these analytical expressions are obtained by the use either of the Wagner-Schottky vacancy model or polynomials second order in composition (parabolic approach). The free energy of formation, ΔGsub(f) has been calculated for the systems Ti-C, Zr-C, and Ta-C. Calculations of the ternary phase equilibria yielded the values for ΔGsub(f) for the unstable compounds Ti 2 C at 1500 0 C and Zr 2 C at 1775 0 C of -22.3 and 22.7 kcal g atom metal respectively. These values were used for the calculation of isothermal sections within the ternary systems Ti-Ta-C (at 1500 0 C) and Zr-Ta-C (at 1775 0 C). The ideal case of ternary phase solutions is extended to regular solutions. (author)

  3. Improving solid-state hydriding and dehydriding properties of the LiBH{sub 4} plus MgH{sub 2} system with the addition of Mn and V dopants

    Energy Technology Data Exchange (ETDEWEB)

    Crosby, Kyle; Wan, Xuefei; Shaw, Leon L. [Department of Chemical, Materials and Biomolecular Engineering, University of Connecticut, 97 North Eagleville Road, U-3136, Storrs, CT 06269 (United States)

    2010-11-01

    The hydriding process of the 2LiH + MgB{sub 2} mixture is controlled by outward diffusion of Mg and inward diffusion of Li and H within MgB{sub 2} crystals to form LiBH{sub 4}. This study explores the feasibility of using transition metal dopants, such as Mn and V, to enhance the diffusion rate and thus the hydriding kinetics. It is found that Mn can indeed enhance the hydriding kinetics of the 2LiH + MgB{sub 2} mixture, while V does not. The major factor in enhancing the diffusion rate and thus the hydriding kinetics is related to the dopant's ability to induce the lattice distortion of MgB{sub 2} crystals. This study demonstrates that the kinetics of the diffusion controlled solid-state hydriding process can be improved by doping if the dopant is properly selected. (author)

  4. Fac–mer equilibria of coordinated iminodiacetate (ida ) in ternary Cu ...

    Indian Academy of Sciences (India)

    Unknown

    Keywords. Fac–mer equilibria; CuII-iminodiacetate-imidazole/benzimidazole ternary complexes; stability constants. 1. Introduction. Mixed ligand complexes of transition metal ions with amino acids, peptides or their derivatives or analogues, and heterocyclic N-bases can serve as model compounds of bioinorganic interests ...

  5. Plutonium microstructures. Part 2. Binary and ternary alloys

    International Nuclear Information System (INIS)

    Cramer, E.M.; Bergin, J.B.

    1983-12-01

    This report is the second of three parts that exhibit illustrations of inclusions in plutonium metal from inherent and tramp impurities, of intermetallic and nonmetallic constituents from alloy additions, and of the effects of thermal and mechanical treatments. This part includes illustrations of the microstructures in binary cast alloys and a few selected ternary alloys that result from measured additions of diluent elements, and of the microconstituents that are characteristic of phase fields in extended alloy systems. Microhardness data are given and the etchant used in the preparation of each sample is described

  6. Phase diagram of the ternary Zr-Ti-Sn system

    International Nuclear Information System (INIS)

    Arias, D.; Gonzalez Camus, M.

    1987-01-01

    It is well known that Ti stabilizes the high temperature cubic phase of Zr and that Sn stabilizes the low temperature hexagonal phase of Zr. The effect of Sn on the Zr-Ti diagram has been studied in the present paper. Using high purity metals, nine different alloys have been prepared, with 4-32 at % Ti, 0.7-2.2 at % Sn and Zr till 100%. Resistivity and optical and SEM metallography techniques have been employed. Effect of some impurities have been analyzed. The results are discussed and different isothermic sections of the ternary Zr-Ti-Sn diagram are presented. (Author) [es

  7. SYNTHESIS AND STRUCTURE OF BIS(PHENYLTETRAMETHYLCYCLOPENTADIENYL)TITANIUM(III) HYDRIDE - THE FIRST MONOMERIC BIS(CYCLOPENTADIENYL)TITANIUM(III) HYDRIDE : The First Monomeric Bis(cyclopentadienyl)titanium(III) Hydride

    NARCIS (Netherlands)

    de Wolf, J.M.; Meetsma, A.; Teuben, J.H

    1995-01-01

    The first structurally characterized monomeric bis(cyclopentadienyl)titanium(III) hydride, (C(5)PhMe(4))(2)TiH (4), was synthesized by hydrogenolysis of (C(5)PhMe(4))(2)TiMe (5). Hydride 4 was found to be a monomeric bent sandwich by X-ray diffraction methods, and the pentamethylcyclopentadienyl

  8. Laser photoelectron spectroscopy of MnH - and FeH - : Electronic structures of the metal hydrides, identification of a low-spin excited state of MnH, and evidence for a low-spin ground state of FeH

    Science.gov (United States)

    Stevens, Amy E.; Feigerle, C. S.; Lineberger, W. C.

    1983-05-01

    The laser photoelectron spectra of MnH- and MnD-, and FeH- and FeD- are reported. A qualitative description of the electronic structure of the low-spin and high-spin states of the metal hydrides is developed, and used to interpret the spectra. A diagonal transition in the photodetachment to the known high-spin, 7Σ+, ground state of MnH is observed. An intense off-diagonal transition to a state of MnH, at 1725±50 cm-1 excitation energy, is attributed to loss of an antibonding electron from MnH-, to yield a low-spin quintet state of MnH. For FeH- the photodetachment to the ground state is an off-diagonal transition, attributed to loss of the antibonding electron from FeH-, to yield a low-spin quartet ground state of FeH. A diagonal transition results in an FeH state at 1945±55 cm-1; this state of FeH is assigned as the lowest-lying high-spin sextet state of FeH. An additional excited state of MnH and two other excited states of FeH are observed. Excitation energies for all the states are reported; vibrational frequencies and bond lengths for the ions and several states of the neutrals are also determined from the spectra. The electron affinity of MnH is found to be 0.869±0.010 eV; and the electron affinity of FeH is determined to be 0.934±0.011 eV. Spectroscopic constants for the various deuterides are also reported.

  9. Tailoring Thermodynamics and Kinetics for Hydrogen Storage in Complex Hydrides towards Applications.

    Science.gov (United States)

    Liu, Yongfeng; Yang, Yaxiong; Gao, Mingxia; Pan, Hongge

    2016-02-01

    Solid-state hydrogen storage using various materials is expected to provide the ultimate solution for safe and efficient on-board storage. Complex hydrides have attracted increasing attention over the past two decades due to their high gravimetric and volumetric hydrogen densities. In this account, we review studies from our lab on tailoring the thermodynamics and kinetics for hydrogen storage in complex hydrides, including metal alanates, borohydrides and amides. By changing the material composition and structure, developing feasible preparation methods, doping high-performance catalysts, optimizing multifunctional additives, creating nanostructures and understanding the interaction mechanisms with hydrogen, the operating temperatures for hydrogen storage in metal amides, alanates and borohydrides are remarkably reduced. This temperature reduction is associated with enhanced reaction kinetics and improved reversibility. The examples discussed in this review are expected to provide new inspiration for the development of complex hydrides with high hydrogen capacity and appropriate thermodynamics and kinetics for hydrogen storage. © 2015 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Mechanism of n-butane hydrogenolysis promoted by Ta-hydrides supported on silica

    KAUST Repository

    Pasha, Farhan Ahmad

    2014-06-06

    The mechanism of hydrogenolysis of alkanes, promoted by Ta-hydrides supported on silica via 2 ≡ Si-O- bonds, has been studied with a density functional theory (DFT) approach. Our study suggests that the initial monohydride (≡ Si-O-)2Ta(III)H is rapidly trapped by molecular hydrogen to form the more stable tris-hydride (≡ Si-O-) 2Ta(V)H3. Loading of n-butane to the Ta-center occurs through C-H activation concerted with elimination of molecular hydrogen (σ-bond metathesis). Once the Ta-alkyl species is formed, the C-C activation step corresponds to a β-alkyl transfer to the metal with elimination of an olefin. According to these calculations, an α-alkyl transfer to the metal to form a Ta-carbene species is of higher energy. The olefins formed during the C-C activation step can be rapidly hydrogenated by both mono- and tris-Ta-hydride species, making the overall process of alkane cracking thermodynamically favored. © 2014 American Chemical Society.

  11. Hydridation of Ti-6Al-4V

    International Nuclear Information System (INIS)

    Domizzi, G; Luppo, M.I; Ortiz, M; Vigna, G

    2004-01-01

    The production of Ti pieces or their alloys through powder metallurgy is an economical alternative that replaces the costly methods commonly used. The Ti-6AI-4V alloy is widely used in the aerospace, chemical and medical industries. The use of powder from the alloy instead of using more pure alloyed titanium powders, further simplifies the production process. The presence of V allows the phase β to stabilize at very low temperatures and both alloys alter the Ti-H equilibrium diagram. This work analyzes to what degree these effects influence the obtaining of powders from this alloy from that of hydridation and dehydridation. Although it has slower kinetics, powders can be produced in times similar to those found for grade 2 Ti since the distribution of hydrides in the sample is uniform and the material is fragile enough for concentrations of approximately 0.7 H/Ti (CW)

  12. Tritium in metals

    International Nuclear Information System (INIS)

    Schober, T.

    1990-01-01

    In this Chapter a review is given of some of the important features of metal tritides as opposed to hydrides and deuterides. After an introduction to the topics of tritium and tritium in metals information will be presented on a variety of metal-tritium systems. Of main interest here are the differences from the classic hydrogen behavior; the so called isotope effect. A second important topic is that of aging effects produced by the accumulation of 3 He in the samples. (orig.)

  13. New technique for producing the alloys based on transition metals

    International Nuclear Information System (INIS)

    Dolukhanyan, S.K.; Aleksanyan, A.G.; Shekhtman, V.Sh.; Mantashyan, A.A.; Mayilyan, D.G.; Ter-Galstyan, O.P.

    2007-01-01

    In principle new technique was elaborated for obtaining the alloys of refractory metals by their hydrides compacting and following dehydrogenation. The elaborated technique is described. The conditions of alloys formation from different hydrides of appropriate metals was investigated in detail. The influence of the process parameters such as: chemical peculiarities, composition of source hydrides, phase transformation during dehydrogenation, etc. on the alloys formation were established. The binary and tertiary alloys of α and ω phases: Ti 0 .8Zr 0 .8; Ti 0 .66Zr 0 .33; Ti 0 .3Zr 0 .8; Ti 0 .2Zr 0 .8; Ti 0 .8Hf 0 .2; Ti 0 .6Hf 0 .4Ti 0 .66Zr 0 .23Hf 0 .11; etc were recieved. Using elaborated special hydride cycle, an earlier unknown effective process for formation of alloys of transition metals was realized. The dependence of final alloy structure on the composition of initial mixture and hydrogen content in source hydrides was established

  14. Heat pretreatment-induced activation of gadolinium surfaces towards the initial precipitation of hydrides

    International Nuclear Information System (INIS)

    Benamar, G.; Schweke, D.; Shamir, N.; Zalkind, S.; Livneh, T.; Danon, A.; Kimmel, G.; Mintz, M.H.

    2010-01-01

    A vacuum heat pretreatment is applied, in order to enhance the reactivity of hydride-forming metals towards hydrogen reaction. For gadolinium, as for other rare-earth metals and some actinides, pretreatment temperatures of about 470 K are sufficient to induce such activation. The different factors that may be involved in that activation mechanism are identified and analyzed for gadolinium and their role is evaluated. It is concluded that the most prominent effect is desorption of surface hydroxyl groups, which impede the dissociative chemisorptions of hydrogen.

  15. Susceptibility of ternary aluminum alloys to cracking during solidification

    International Nuclear Information System (INIS)

    Liu, Jiangwei; Kou, Sindo

    2017-01-01

    The crack susceptibility map of a ternary Al alloy system provides useful information about which alloy compositions are most susceptible to cracking and thus should be avoided by using a filler metal with a significantly different composition. In the present study the crack susceptibility maps of ternary Al alloy systems were calculated based on the maximum |dT/d(f S ) 1/2 | as an index for the crack susceptibility, where T is temperature and f S fraction solid. Due to the complexity associated with ternary alloy solidification, commercial thermodynamic software Pandat and Al database PanAluminum, instead of analytical equations, were used to calculate f S as a function of T and hence the maximum |dT/d(f S ) 1/2 | for ternary Al-Mg-Si, Al-Cu-Mg and Al-Cu-Si alloy systems. A crack susceptibility map covering 121 alloy compositions was constructed for each of the three ternary alloy systems at each of the following three levels of back diffusion: no back diffusion, back diffusion under a 100 °C/s cooling rate, and back diffusion under 20° C/s. The location of the region of high crack susceptibility, which is the most important part of the map, was shown in each of the nine calculated maps. These locations were compared with those observed in crack susceptibility tests by previous investigators. With back diffusion considered, either under 20 or 100 °C/s, the agreement between the calculated and observed maps was good especially for Al-Mg-Si and Al-Cu-Mg. Thus, the maximum |dT/d(f S ) 1/2 | can be used as a crack susceptibility index to construct crack susceptibility maps for ternary Al alloys and to evaluate the effect of back diffusion on their crack susceptibility. - Graphical abstract: The crack susceptibility map of a ternary alloy system indicates the composition range most susceptible to cracking, which should be avoided in welding or casting. The crack susceptibility maps of ternary Al alloy systems Al-Mg-Si, Al-Cu-Mg and Al-Cu-Si were calculated based

  16. Hydrides and Borohydrides of Light Elements

    Science.gov (United States)

    1947-12-04

    Troy, Attn: Inst. of Naval Science (30) Solar Aircraft Cu,, San Diego, Attn: Dr. M. A. Williamson " (31) INSMAT. N. J. for Itandard Oil Co., Esso Lab...with the other# iLD F.Re p. 8 ilt -ms" #61ggSotod that.. ir addition to thc impurity in the t~y..thr, an impurkty, prosumably aluminum hydride, in

  17. Facile Synthesis of Permethyl Yttrocene Hydride

    NARCIS (Netherlands)

    Haan, Klaas H. den; Teuben, Jan H.

    1984-01-01

    A convenient three step synthesis of (Cp*2YH)n (Cp* = C5Me5) is described starting with YCl3.3thf, in which Cp*2YCl.thf and Cp*2YCH(SiMe3)2 are intermediates, which could be isolated and characterized. The hydride is active in the activation of sp2 and sp3 C-H bonds as was demonstrated by the H-D

  18. YNi and its hydrides: Phase stabilities, electronic structures and chemical bonding properties from first principles

    International Nuclear Information System (INIS)

    Matar, S.F.; Nakhl, M.; Al Alam, A.F.; Ouaini, N.; Chevalier, B.

    2010-01-01

    Graphical abstract: Base centered orthorhombic YNiH X structure. For x = 3, only H1 and H2 are present. Highest hydrogen content YNiH 4 is obtained when H3 are added. - Abstract: Within density functional theory, establishing the equations of states of YNi in two different controversial structures in the literature, leads to determine the orthorhombic FeB-type as the ground state one with small energy difference. For YNiH 3 and YNiH 4 hydrides crystallizing in the orthorhombic CrB-type structure the geometry optimization and the ab initio determination of the H atomic positions show that the stability of hydrogen decreases from the tri- to the tetra- hydride. New states brought by hydrogen within the valence band lead to its broadening and to enhanced localization of metal density of states. The chemical bonding analysis shows a preferential Ni-H bonding versus Y-H.

  19. YNi and its hydrides: Phase stabilities, electronic structures and chemical bonding properties from first principles

    Energy Technology Data Exchange (ETDEWEB)

    Matar, S.F., E-mail: matar@icmcb-bordeaux.cnrs.fr [CNRS, Universite de Bordeaux, ICMCB, 87 avenue du Docteur Albert Schweitzer, F-33608 Pessac (France); Nakhl, M. [Universite Libanaise, Laboratoire de Chimie-Physique des Materiaux LCPM, Fanar (Lebanon); Al Alam, A.F.; Ouaini, N. [Universite Saint-Esprit de Kaslik, Faculte des Sciences et de Genie Informatique, Jounieh (Lebanon); Chevalier, B. [CNRS, Universite de Bordeaux, ICMCB, 87 avenue du Docteur Albert Schweitzer, F-33608 Pessac (France)

    2010-11-25

    Graphical abstract: Base centered orthorhombic YNiH{sub X} structure. For x = 3, only H1 and H2 are present. Highest hydrogen content YNiH{sub 4} is obtained when H3 are added. - Abstract: Within density functional theory, establishing the equations of states of YNi in two different controversial structures in the literature, leads to determine the orthorhombic FeB-type as the ground state one with small energy difference. For YNiH{sub 3} and YNiH{sub 4} hydrides crystallizing in the orthorhombic CrB-type structure the geometry optimization and the ab initio determination of the H atomic positions show that the stability of hydrogen decreases from the tri- to the tetra- hydride. New states brought by hydrogen within the valence band lead to its broadening and to enhanced localization of metal density of states. The chemical bonding analysis shows a preferential Ni-H bonding versus Y-H.

  20. Rapid PMR determination of hydrogen in titanium hydride and dehydrogenated titanium powders

    International Nuclear Information System (INIS)

    Il'enko, V.S.; Demidenko, L.M.

    1987-01-01

    Proton magnetic resonance (PMR) enables determining hydrogen quantitatively in titanium hydride and dehydrogenated titanium powders without destroying the specimen and is also more informative than high-temperature extraction methods. PMR provides data on the electron-nuclear interactions and the activation energies for hydrogen diffusion while also providing conclusions on the forms and positives of the hydrogen in the lattice and the binding to the metal atoms. The authors have developed a rapid method for determining hydrogen in titanium hydride and dehydrogenated titanium powders which reduces the analysis time and improves the metrological characteristics. The authors use a YaMR-5535 spectrometer working at 40 MHz upgraded for use with hydrogen in solids. The authors used specimens of mass about 2 g ground to 0.1 mm powder