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Sample records for metal hydride based

  1. 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.

  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. A study of advanced magnesium-based hydride and development of a metal hydride thermal battery system

    Science.gov (United States)

    Zhou, Chengshang

    Metal hydrides are a group of important materials known as energy carriers for renewable energy and thermal energy storage. A concept of thermal battery based on advanced metal hydrides is studied for heating and cooling of cabins in electric vehicles. The system utilizes a pair of thermodynamically matched metal hydrides as energy storage media. The hot hydride that is identified and developed is catalyzed MgH2 due to its high energy density and enhanced kinetics. TiV0.62Mn1.5, TiMn2, and LaNi5 alloys are selected as the matching cold hydride. A systematic experimental survey is carried out in this study to compare a wide range of additives including transitions metals, transition metal oxides, hydrides, intermetallic compounds, and carbon materials, with respect to their effects on dehydrogenation properties of MgH2. The results show that additives such as Ti and V-based metals, hydride, and certain intermetallic compounds have strong catalytic effects. Solid solution alloys of magnesium are exploited as a way to destabilize magnesium hydride thermodynamically. Various elements are alloyed with magnesium to form solid solutions, including indium and aluminum. Thermodynamic properties of the reactions between the magnesium solid solution alloys and hydrogen are investigated, showing that all the solid solution alloys that are investigated in this work have higher equilibrium hydrogen pressures than that of pure magnesium. Cyclic stability of catalyzed MgH2 is characterized and analyzed using a PCT Sievert-type apparatus. Three systems, including MgH2-TiH 2, MgH2-TiMn2, and MgH2-VTiCr, are examined. The hydrogenating and dehydrogenating kinetics at 300°C are stable after 100 cycles. However, the low temperature (25°C to 150°C) hydrogenation kinetics suffer a severe degradation during hydrogen cycling. Further experiments confirm that the low temperature kinetic degradation can be mainly related the extended hydrogenation-dehydrogenation reactions. Proof

  4. 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

  5. Standardized hydrogen storage module with high utilization factor based on metal hydride-graphite composites

    OpenAIRE

    Bürger, Inga; Dieterich, Mila; Pohlmann, Carsten; Röntzsch, Lars; Linder, Marc

    2017-01-01

    In view of hydrogen based backup power systems or small-scale power2gas units, hydrogen storages based on metal hydrides offer a safe and reliable solution. By using Hydralloy C5 as suitable hydride forming alloy, the present tank design guarantees very simple operating conditions: pressures between 4 bar and 30 bar, temperatures between 15 C and 40 C and minimal efforts for thermal management in combination with fast and constant charging and discharging capabilities. The modular...

  6. 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.

  7. 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

  8. 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.)

  9. Method for preparing porous metal hydride compacts

    Science.gov (United States)

    Ron, M.; Gruen, D.M.; Mendelsohn, M.H.; Sheft, I.

    1980-01-21

    A method for preparing porous metallic-matrix hydride compacts which can be repeatedly hydrided and dehydrided without disintegration. A mixture of a finely divided metal hydride and a finely divided matrix metal is contacted with a poison which prevents the metal hydride from dehydriding at room temperature and atmospheric pressure. The mixture of matrix metal and poisoned metal hydride is then compacted under pressure at room temperature to form porous metallic-matrix hydride compacts.

  10. 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...... was developed. The parameters milling time, milling intensity, number of balls and form of the alloying metals were investigated. Based on this a final alloying technique for the subsequent preparation of electrode materials was established. The technique comprises milling for 4 hours twice possibly followed...... by annealing at 700°C for 12 hours. The alloys appeared to be nanocrystalline with an average crystallite size around 10 nm before annealing. Special steel containers was developed for the annealing of the metal powders in inert atmosphere. The use of various annealing temperatures was investigated...

  11. 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

  12. Standardized hydrogen storage module with high utilization factor based on metal hydride-graphite composites

    Science.gov (United States)

    Bürger, Inga; Dieterich, Mila; Pohlmann, Carsten; Röntzsch, Lars; Linder, Marc

    2017-02-01

    In view of hydrogen based backup power systems or small-scale power2gas units, hydrogen storages based on metal hydrides offer a safe and reliable solution. By using Hydralloy C5 as suitable hydride forming alloy, the present tank design guarantees very simple operating conditions: pressures between 4 bar and 30 bar, temperatures between 15 °C and 40 °C and minimal efforts for thermal management in combination with fast and constant charging and discharging capabilities. The modular tank consists of 4 layers with 5 reactor tubes each that are filled with metal hydride-graphite composites of a diameter of 21 mm. Experiments show that each layer of this tank is able to desorb the desired amount of hydrogen for a fuel cell operation at electrical power of 160 Wel for 100 min reaching a utilization factor of 93% of the stored hydrogen at RC. Furthermore, the experimental results of modularity, increasing loads and the electric air ventilation are presented.

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

    Energy Technology Data Exchange (ETDEWEB)

    Jepsen, Julian

    2014-07-01

    Novel developments regarding materials for solid-state hydrogen storage show promising prospects. These complex hydrides exhibit high mass-related storage capacities and thus great technical potential to store hydrogen in an efficient and safe way. However, a comprehensive evaluation of economic competitiveness is still lacking, especially in the case of the LiBH4 / MgH2 storage material. In this study, an assessment with respect to the economic feasibility of implementing complex hydrides as hydrogen storage materials is presented. The cost structure of hydrogen storage systems based on NaAlH4 and LiBH4 / MgH2 is discussed and compared with the conventional high pressure (700 bar) and liquid storage systems. Furthermore, the properties of LiBH4 / MgH2, so-called Li-RHC (Reactive Hydride Composite), are scientifically compared and evaluated on the lab and pilot plant scale. To enhance the reaction rate, the addition of TiCl3 is investigated and high energy ball milling is evaluated as processing technique. The effect of the additive in combination with the processing technique is described in detail. Finally, an optimum set of processing parameters and additive content are identified and can be applied for scaled-up production of the material based on simple models considering energy input during processing. Furthermore, thermodynamic, heat transfer and kinetic properties are experimentally determined by different techniques and analysed as a basis for modelling and designing scaled-up storage systems. The results are analysed and discussed with respect to the reaction mechanisms and reversibility of the system. Heat transfer properties are assessed with respect to the scale-up for larger hydrogen storage systems. Further improvements of the heat transfer were achieved by compacting the material. In this regard, the influence of the compaction pressure on the apparent density, thermal conductivity and sorption behaviour, was investigated in detail. Finally, scaled

  14. 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

  15. Numerical simulation of coupled heat and mass transfer in metal hydride-based hydrogen storage reactor

    International Nuclear Information System (INIS)

    Muthukumar, P.; Ramana, S. Venkata

    2009-01-01

    In this paper, a numerical investigation of two-dimensional heat and mass transfer during absorption of hydrogen in a cylindrical metal hydride bed containing MmNi 6.4 Al 0.4 is presented. By considering the variation in cooling fluid temperature along the axial direction (variable wall temperature), the changes in hydrogen concentration, hydride equilibrium pressure, and average hydride bed temperature at different axial locations are presented. The average bed temperature profiles and hydrogen storage capacities at different supply pressures showed good agreement with the experimental data reported in the literature. As the absorption progresses, the change in cooling fluid temperature along the axial direction is found to decrease and becomes unchanged at the end of the absorption process. The effect of variable wall temperature on hydrogen absorption rate for different supply pressures and hydride bed thicknesses are presented. The effect of variable wall temperature on absorption time is found to be significant for the hydride beds of thickness of above 7.5 mm. For a supply pressure of 20 bar, the maximum difference in absorption time between variable wall temperature and constant wall temperature boundary conditions is about 300 s for 17.5 mm bed thickness

  16. 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.

  17. 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...

  18. 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

  19. 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.

  20. 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.

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

    Directory of Open Access Journals (Sweden)

    Kasper T. Møller

    2017-10-01

    Full Text Available 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 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 inspiration to solve the great challenge of our time: efficient conversion and large-scale storage of renewable energy.

  2. 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)

  3. 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

  4. 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.

  5. 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...

  6. 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.

  7. 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)

  8. Dehydrogenation in lithium borohydride/conventional metal hydride composite based on a mutual catalysis

    DEFF Research Database (Denmark)

    Yu, X.B.; Shi, Qing; Vegge, Tejs

    2009-01-01

    The dehydrogenation of LiBH4 ball-milled with hydrogenated 40Ti–15Mn–15Cr–30V alloy was investigated. It was found that there is a mutual catalysis between the two hydrides, lowering the temperature of hydrogen release from both hydrides. In the case of 1h milled LiBH4/40Ti–15Mn–15Cr–30V...

  9. 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.

  10. Properties of nanoscale metal hydrides.

    Science.gov (United States)

    Fichtner, Maximilian

    2009-05-20

    Nanoscale hydride particles may exhibit chemical stabilities which differ from those of a macroscopic system. The stabilities are mainly influenced by a surface energy term which contains size-dependent values of the surface tension, the molar volume and an additional term which takes into account a potential reduction of the excess surface energy. Thus, the equilibrium of a nanoparticular hydride system may be shifted to the hydrogenated or to the dehydrogenated side, depending on the size and on the prefix of the surface energy term of the hydrogenated and dehydrogenated material. Additional complexity appears when solid-state reactions of complex hydrides are considered and phase segregation has to be taken into account. In such a case the reversibility of complex hydrides may be reduced if the nanoparticles are free standing on a surface. However, it may be enhanced if the system is enclosed by a nanoscale void which prevents the reaction partners on the dehydrogenated side from diffusing away from each other. Moreover, the generally enhanced diffusivity in nanocrystalline systems may lower the kinetic barriers for the material's transformation and, thus, facilitate hydrogen absorption and desorption.

  11. 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

  12. Sealed metal-hydride batteries for aerospace applications

    Science.gov (United States)

    Coates, Dwaine; Wright, R. D.

    Nickel and silver-metal hydride batteries are being developed for aerospace applications by Eagle-Picher. Metal hydride batteries offer a number of advantages over other aerospace battery systems. Nickel-metal hydride batteries have twice the gravimetric energy density of nickel-cadmium batteries and twice the volumetric energy density of nickel-hydrogen batteries. Silver-metal hydride batteries have the potential of three times the energy density of nickel-metal hydride. Aerospace metal hydride batteries are hermetically sealed, operate at low pressure and are prismatic in geometry. They exhibit excellent overcharge and overdischarge capability. The objective of current programs at Eagle-Picher is to develop high energy density, long cycle life metal-hydride batteries for the aerospace market and to establish a testing database to support future applications.

  13. Nickel metal hydride LEO cycle testing

    Science.gov (United States)

    Lowery, Eric

    1995-01-01

    The George C. Marshall Space Flight Center is working to characterize aerospace AB5 Nickel Metal Hydride (NiMH) cells. The cells are being evaluated in terms of storage, low earth orbit (LEO) cycling, and response to parametric testing (high rate charge and discharge, charge retention, pulse current ability, etc.). Cells manufactured by Eagle Picher are the subjects of the evaluation. There is speculation that NiMH cells may become direct replacements for current Nickel Cadmium cells in the near future.

  14. 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.

  15. Composite Materials for Hazard Mitigation of Reactive Metal Hydrides.

    Energy Technology Data Exchange (ETDEWEB)

    Pratt, Joseph William [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Cordaro, Joseph Gabriel [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sartor, George B. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Dedrick, Daniel E. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Reeder, Craig L. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2012-02-01

    under simulated usage and accident conditions. Mitigating the hazards associated with reactive metal hydrides during an accident while finding a way to keep the original capability of the active material intact during normal use has been the focus of this work. These composites were made by polymerizing vinyl monomers using free-radical polymerization chemistry, in the presence of the metal hydride, in this case a prepared sodium alanate (chosen as a representative reactive metal hydride). It was found that the polymerization of styrene and divinyl benzene could be initiated using AIBN in toluene at 70°C. The resulting composite materials can be either hard or brittle solids depending on the cross-linking density. Thermal decomposition of these styrene-based composite materials is lower than neat polystyrene indicating that the chemical nature of the polymer is affected by the formation of the composite. The char-forming nature of cross-linked polystyrene is low and therefore, not an ideal polymer for hazard mitigation. To obtain composite materials containing a polymer with higher char-forming potential, siloxane-based monomers were investigated. Four vinyl-containing siloxane oligomers were polymerized with and without added styrene and divinyl benzene. Like the styrene materials, these composite materials exhibited thermal decomposition behavior significantly different than the neat polymers. Specifically, the thermal decomposition temperature was shifted approximately 100 °C lower than the neat polymer signifying a major chemical change to the polymer network. Thermal analysis of the cycled samples was performed on the siloxane-based composite materials. It was found that after 30 cycles the siloxane-containing polymer composite material has similar TGA/DSC-MS traces as the virgin composite material indicating that the polymer is physically intact upon cycling. Hydrogen capacity measurements revealed that addition of the polymer to the metal hydride in the form of

  16. 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

  17. 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)

  18. Metal Borohydrides synthesized from metal borides and metal hydrides

    DEFF Research Database (Denmark)

    Sommer, Sanna

    2014-01-01

    Metal Borohydrides Synthesized from Metal Borides and Metal Hydrides Alexander Fogha, Sanna Sommera, Kasper T. Møllera, T. R. Jensena aCenter for Materials Crystallography (CMC), Interdisciplinary Nanoscience Center (iNANO) and Chemistry Department, Aarhus University, Langelandsgade 140, DK-8000...... 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...... and Ca(BH4)2, respectively [3,4]. An attempt to synthesize alkali and alkaline earth metal borohydrides from various borides by ball milling under high hydrogen pressure is presented here. MgB2, AlB2 and CaB6 have been milled with MHx (M = Li, Na, Mg, Ca) at p(H2) = 110 bar for 24 hours. All samples were...

  19. 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.

  20. 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.

  1. Solving crystal structures of metal and chemical hydrides

    OpenAIRE

    Cerny, Radovan

    2008-01-01

    The methods of structural characterization of metal and chemical hydrides are reviewed. The existing difficulties and problems are outlined and possible solutions presented. It is shown that powder diffraction, and especially the Direct Space Method, is essential component of hydride research. Crystal structures containing as many as 55 independent atoms (including hydrogen) have been fully characterized using powder diffraction. This is of great importance, because rapid collection of powder...

  2. 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

  3. 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)

  4. High-pressure synthesis of noble metal hydrides.

    Science.gov (United States)

    Donnerer, Christian; Scheler, Thomas; Gregoryanz, Eugene

    2013-04-07

    The formation of hydride phases in the noble metals copper, silver, and gold was investigated by in situ x-ray diffraction at high hydrogen pressures. In the case of copper, a novel hexagonal hydride phase, Cu2H, was synthesised at pressures above 18.6 GPa. This compound exhibits an anti-CdI2-type structure, where hydrogen atoms occupy every second layer of octahedral interstitial sites. In contrast to chemically produced CuH, this phase does not show a change in compressibility compared to pure copper. Furthermore, repeated compression (after decomposition of Cu2H) led to the formation of cubic copper hydride at 12.5 GPa, a phenomenon attributed to an alteration of the microstructure during dehydrogenation. No hydrides of silver (up to 87 GPa) or gold (up to 113 GPa) were found at both room and high temperatures.

  5. 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

  6. 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.

  7. 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

    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...... 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...... inspiration to solve the great challenge of our time: efficient conversion and large-scale storage of renewable energy....

  8. 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...... 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...... inspiration to solve the great challenge of our time: efficient conversion and large-scale storage of renewable energy....

  9. 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 (<100nm diameter) and ball-milled silicon powder (325 mesh). The increase in 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 <100 nm to ˜10 nm particles, the hydrogen production 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.

  10. 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

  11. 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.

  12. New Orbital Hybridization Schemes for Metal Hydrides-Keeping p ...

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 1; Issue 8. New Orbital Hybridization Schemes for Metal Hydrides - Keeping p Orbitals out of the Picture. J Chandrasekhar. Research News ... J Chandrasekhar1. Department of Organic Chemistry, Indian Institute of Science, Bangalore 560012, India ...

  13. 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

  14. Optimization of Internal Cooling Fins for Metal Hydride Reactors

    Directory of Open Access Journals (Sweden)

    Vamsi Krishna Kukkapalli

    2016-06-01

    Full Text Available Metal hydride alloys are considered as a promising alternative to conventional hydrogen storage cylinders and mechanical hydrogen compressors. Compared to storing in a classic gas tank, metal hydride alloys can store hydrogen at nearly room pressure and use less volume to store the same amount of hydrogen. However, this hydrogen storage method necessitates an effective way to reject the heat released from the exothermic hydriding reaction. In this paper, a finned conductive insert is adopted to improve the heat transfer in the cylindrical reactor. The fins collect the heat that is volumetrically generated in LaNi5 metal hydride alloys and deliver it to the channel located in the center, through which a refrigerant flows. A multiple-physics modeling is performed to analyze the transient heat and mass transfer during the hydrogen absorption process. Fin design is made to identify the optimum shape of the finned insert for the best heat rejection. For the shape optimization, use of a predefined transient heat generation function is proposed. Simulations show that there exists an optimal length for the fin geometry.

  15. 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

  16. 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

  17. The electrochemical impedance of metal hydride electrodes

    DEFF Research Database (Denmark)

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

    2002-01-01

    , 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...

  18. AB{sub 2} metal hydrides for high-pressure and narrow temperature interval applications

    Energy Technology Data Exchange (ETDEWEB)

    Hagstroem, M.T.; Vanhanen, J.P.; Lund, P.D. [Helsinki Univ. of Technol., Hut (Finland). Dept. of Eng. Phys. and Math.

    1998-05-01

    AB{sub 2}-based metal hydrides have been studied in order to find high-capacity, low-hysteresis alloy-hydrogen systems for high-pressure applications with strict thermal boundary conditions. TiCrMn{sub 1-3x}Fe{sub 2x}V{sub x} (x=0, 0.05, 0.1, 0.15 or 0.2) and Ti{sub 1-y}Zr{sub y}(Cr{sub z}Mn{sub 1-z}){sub 2} (y=0.05 or 0.15 and z=0.5 or 0.6) alloys have been synthesized and characterised by XRD, ICP spectrometry and volumetric PCI measurements. In addition, the PCIs of two commercial (GfE) alloys, Hydralloy C2 and Hydralloy C0, have been measured and a PDSC study on Hydralloy C2 has been performed, in order to assess the feasibility of their basic hydriding properties for narrow temperature interval applications. In the Fe and V containing alloy-hydrogen systems, hysteresis can be overcome at the cost of reduced hydriding capacity, while in the Zr-containing hydrides, at the temperatures of this study (-80 to 60 C), hysteresis is not completely eliminated but the hydriding capacity remains good also at high temperatures. The interplay between these properties of hydrides is discussed, as well as the role of materials characteristics in specially constrained applications. (orig.) 17 refs.

  19. Analysis of hydrogen storage in metal hydride tanks introducing an induced phase transformation

    Energy Technology Data Exchange (ETDEWEB)

    Gondor, Germain; Lexcellent, Christian [Institut FEMTO-ST, Departement de Mecanique Appliquee (LMARC), Universite de Franche-Comte, UMR CNRS 6174, 24 Chemin de l' Epitaphe, 25000 Besancon (France)

    2009-07-15

    Hydrogen absorption in a metal hydride tank is generally studied based on a heat and mass transfer analysis. The originality of this investigation is that the phase transformation from a solid ({alpha} phase) to hydride ({beta} phase) solution is included in the hydrogen absorption mechanism. Toward this end, a modelling of the equilibrium pressure, composition (absorbed or desorbed hydrogen atoms per metal atoms), and isothermal curves of a LaNi{sub 5} alloy is performed. Moreover, a kinetic model is developed taking into account the steps of hydrogen absorption and desorption (i.e., physisorption, chemisorption, surface penetration, nucleation and growth of the hydride phase and diffusion). Simulations are then performed to show the impact of external conditions (hydrogen gas pressure and temperature) and parameter values (wall heat transfer, conductivities of gas and solid, viscosity, porosity, etc.) on refilling time. The physical nature of the phase transformation associated to the hydrogen storage remains an open problem. (author)

  20. 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

  1. Testing setup for automatic cycling of metal hydride composites

    OpenAIRE

    Dieterich, Mila; Bürger, Inga; Linder, Marc Philipp

    2017-01-01

    In a future hydrogen community, metal hydrides can be used in several new applications. The most common application is as hydrogen storage material for stationary or mobile applications. However, there exist plenty of other applications like heat storage systems, thermal compressors, air conditioning systems, hydrogen purifying systems, etc. For all of these applications cycling stability is a major issue as it determines operational strategies as well as overall lifecycle cost. For pure m...

  2. Feasibility study of a metal hydride hydrogen store for a self-sufficient solar hydrogen energy system

    Energy Technology Data Exchange (ETDEWEB)

    Vanhanen, J.P.; Lund, P.D.; Hagstroem, M.T. [Helsinki Univ. of Technology, Espoo (Finland). Dept. of Technical Physics

    1996-10-01

    The feasibility of using metal hydride-hydrogen storage in a self-sufficient solar hydrogen energy system is studied. Several potential commercial and non-commercial metal hydrides are considered to find a material having a low {Delta}H value, a low hysteresis effect, gentle P-C -T, plateau slopes and a high hydrogen storage capacity. A 1 N m{sup 3} metal hydride container employing a commercial Hydralloy C15 metal hydride with the proper P-C-T curves is analysed in more detail. As the thermal behaviour of the container is crucial in our application, steady-state and time-dependent thermal properties of the container are measured and the respective models are derived. The metal hydride container is also tested under realistic conditions to get further operational experience on its technical feasibility. Based on this study, low-temperature metal hydrides seem to be technically and economically feasible for small-scale self-sufficient solar hydrogen systems in which high volumetric energy density is needed due to limited space. (Author)

  3. Hydrogen Storage in Nanostructured Light Metal Hydrides

    NARCIS (Netherlands)

    Singh, S.

    2009-01-01

    The global energy issues can be solved by the abundantly available hydrogen on earth. Light metals are a compact and safe medium for storing hydrogen. This makes them attractive for vehicular use. Unfortunately, hydrogen uptake and release is slow in light metals at practical temperature and

  4. Metal hydrides as electrode/catalyst materials for oxygen evolution/reduction in electrochemical devices

    Science.gov (United States)

    Bugga, Ratnakumar V. (Inventor); Halpert, Gerald (Inventor); Fultz, Brent (Inventor); Witham, Charles K. (Inventor); Bowman, Robert C. (Inventor); Hightower, Adrian (Inventor)

    1997-01-01

    An at least ternary metal alloy of the formula, AB.sub.(5-Y)X(.sub.y), is claimed. In this formula, A is selected from the rare earth elements, B is selected from the elements of groups 8, 9, and 10 of the periodic table of the elements, and X includes at least one of the following: antimony, arsenic, and bismuth. Ternary or higher-order substitutions, to the base AB.sub.5 alloys, that form strong kinetic interactions with the predominant metals in the base metal hydride are used to form metal alloys with high structural integrity after multiple cycles of hydrogen sorption.

  5. Long-term cycle stability of metal hydride-graphite composites

    OpenAIRE

    Dieterich, Mila; Pohlmann, Carsten; Bürger, Inga; Linder, Marc; Röntzsch, Lars

    2015-01-01

    Recently, metal hydride composites (MHC) have been proposed which consist of a hydride forming metal alloy and a highly heat conduction secondary phase such as expanded natural graphite (ENG) in order to improve the thermal conductivity of metal hydride powder beds. However, only little data is available in the literature on the effects of extensive cycling on technically relevant properties of MHC. In this paper, hydrogenation characteristics, thermal conductivity and geometrical stability o...

  6. 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.

  7. 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.)

  8. 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

  9. Comparison of the interactions in the rare gas hydride and Group 2 metal hydride anions

    International Nuclear Information System (INIS)

    Harris, Joe P.; Manship, Daniel R.; Wright, Timothy G.; Breckenridge, W. H.

    2014-01-01

    We study both the rare gas hydride anions, RG–H − (RG = He–Rn) and Group 2 (Group IIa) metal hydride anions, M IIa H − (M IIa = Be–Ra), calculating potential energy curves at the CCSD(T) level with augmented quadruple and quintuple basis sets, and extrapolating the results to the basis set limit. We report spectroscopic parameters obtained from these curves; additionally, we study the Be–He complex. While the RG–H − and Be–He species are weakly bound, we show that, as with the previously studied BeH − and MgH − species, the other M IIa H − species are strongly bound, despite the interactions nominally also being between two closed shell species: M(ns 2 ) and H − (1s 2 ). We gain insight into the interactions using contour plots of the electron density changes and population analyses. For both series, the calculated dissociation energy is significantly less than the ion/induced-dipole attraction term, confirming that electron repulsion is important in these species; this effect is more dramatic for the M IIa H − species than for RG–H − . Our analyses lead us to conclude that the stronger interaction in the case of the M IIa H − species arises from sp and spd hybridization, which allows electron density on the M IIa atom to move away from the incoming H −

  10. Comparison of the interactions in the rare gas hydride and Group 2 metal hydride anions.

    Science.gov (United States)

    Harris, Joe P; Manship, Daniel R; Breckenridge, W H; Wright, Timothy G

    2014-02-28

    We study both the rare gas hydride anions, RG-H(-) (RG = He-Rn) and Group 2 (Group IIa) metal hydride anions, MIIaH(-) (MIIa = Be-Ra), calculating potential energy curves at the CCSD(T) level with augmented quadruple and quintuple basis sets, and extrapolating the results to the basis set limit. We report spectroscopic parameters obtained from these curves; additionally, we study the Be-He complex. While the RG-H(-) and Be-He species are weakly bound, we show that, as with the previously studied BeH(-) and MgH(-) species, the other MIIaH(-) species are strongly bound, despite the interactions nominally also being between two closed shell species: M(ns(2)) and H(-)(1s(2)). We gain insight into the interactions using contour plots of the electron density changes and population analyses. For both series, the calculated dissociation energy is significantly less than the ion/induced-dipole attraction term, confirming that electron repulsion is important in these species; this effect is more dramatic for the MIIaH(-) species than for RG-H(-). Our analyses lead us to conclude that the stronger interaction in the case of the MIIaH(-) species arises from sp and spd hybridization, which allows electron density on the MIIa atom to move away from the incoming H(-).

  11. 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.)

  12. Autocatalytic effects in the mechanically induced hydriding of refractory metals

    International Nuclear Information System (INIS)

    Bab, M.A.; Baum, L.A.; Mendoza-Zelis, L.

    2007-01-01

    Mechanical milling of powders in a gaseous ambient is an efficient tool to induce gas-solid reactions and several nanocrystalline metallic oxides, nitrides and hydrides may be obtained at room temperature and moderated pressures by this route. We present here a study of the mechanically induced hydriding of Ti, Zr and Hf elemental powders, ground in an oscillatory mill under hydrogen gas at constant volume. The final formation of nanocrystalline cubic δ-MH 2 , together with a varying fraction of tetragonal ε-MH 2 , was verified by X-ray diffraction. From the measured pressure drop during the milling process the hydriding kinetics was determined and two distinct regimes were observed. For Ti and-at low milling frequencies-for Zr and Hf, a normal regime, characterized by a sigmoidal trend and a linear dependence of the rate constant on the milling intensity, was found. Otherwise, a sudden increase in the reacted fraction was observed in the absorption curve, typical of a self-sustained regime. The magnitude of the observed jump increases with the milling intensity and afterwards the reaction proceeds normally until it is completed. This critical behavior is discussed in terms of the reaction rate, the degree of transformation and the ε-phase content

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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...

  19. Experimental comparison on heat transfer-enhancing component of metal hydride bed

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Hyun-goo, E-mail: hgkang@nfri.re.kr; Chung, Dong-you; Oh, Yun Hee; Chang, Min Ho; Yun, Sei-Hun

    2016-11-01

    Highlights: • Two small ZrCo metal hydride beds were developed. • Copper foam or fin as heat transfer-enhancing component are experimentally compared. • Copper foam bed is more efficient for uniform and rapid heating of metal hydride. • Copper foam bed is more efficient in removal of reaction heat during absorption. - Abstract: Metal hydride bed will be one of the key components for safe handling of tritium in fusion fuel cycle. In case of normal or emergency shutdown of fuel cycle, metal hydride bed installed in storage and delivery system (SDS) of tritium plant will absorb tritium gas in the system as soon as possible. Supply of hydrogen isotope gas to fueling system of fusion reactor will start from the metal hydride beds. Rapid delivery, rapid recovery including rapid heating and cooling are key issues. For better performance of metal hydride bed, various forms of heat transfer enhancing component or design can be applied. This study aims to help the selection of heat transfer enhancing component. Two small ZrCo beds with copper foam and copper fin were developed and experimented with hydrogen gas. Recovery and delivery performance, heating and cooling performance are compared. Experimental results show metal hydride bed with copper foam has improved performance. Uniform heating of metal hydride during desorption and removal of reaction heat during absorption are more efficient with copper foam bed than copper fin bed.

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

    NARCIS (Netherlands)

    Bramwell, P.L.

    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

  1. 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)

  2. 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.

  3. Comparison of the interactions in the rare gas hydride and Group 2 metal hydride anions

    Energy Technology Data Exchange (ETDEWEB)

    Harris, Joe P.; Manship, Daniel R.; Wright, Timothy G., E-mail: Tim.Wright@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom); Breckenridge, W. H. [Department of Chemistry, University of Utah, Salt Lake City, Utah 84112 (United States)

    2014-02-28

    We study both the rare gas hydride anions, RG–H{sup −} (RG = He–Rn) and Group 2 (Group IIa) metal hydride anions, M{sub IIa}H{sup −} (M{sub IIa} = Be–Ra), calculating potential energy curves at the CCSD(T) level with augmented quadruple and quintuple basis sets, and extrapolating the results to the basis set limit. We report spectroscopic parameters obtained from these curves; additionally, we study the Be–He complex. While the RG–H{sup −} and Be–He species are weakly bound, we show that, as with the previously studied BeH{sup −} and MgH{sup −} species, the other M{sub IIa}H{sup −} species are strongly bound, despite the interactions nominally also being between two closed shell species: M(ns{sup 2}) and H{sup −}(1s{sup 2}). We gain insight into the interactions using contour plots of the electron density changes and population analyses. For both series, the calculated dissociation energy is significantly less than the ion/induced-dipole attraction term, confirming that electron repulsion is important in these species; this effect is more dramatic for the M{sub IIa}H{sup −} species than for RG–H{sup −}. Our analyses lead us to conclude that the stronger interaction in the case of the M{sub IIa}H{sup −} species arises from sp and spd hybridization, which allows electron density on the M{sub IIa} atom to move away from the incoming H{sup −}.

  4. Kinetics and mechanism of the hydridation of uranium and rare-earth metals

    International Nuclear Information System (INIS)

    Bloch, J.

    1989-07-01

    The purpose of this work was to study the rate and the mechanism of the hydridation reaction of uranium and the lanthanide metals. Surface sensitive analysis was used to study the reaction of the metal surface with residual gases of the high vacuum atmosphere. The initial stages of the uranium-hydrogen reaction, taking place on a polished metal surface, were investigated utilizing a hot-stage microscope equipped with TV camera and a video-recorder. The characteristics of formation and advance mechanism of hydride phase in bulk uranium and lanthanide metals were studied utilizing metallographic examination of partially hydrided thin foil samples at different stages of the reaction. The interface velocity of the hydride in uranium was measured as a function of pressure and temprature in a constant volume system. A probabilistic kinetic model for a gas-solid interaction, controlled by a phase transformation step, was developed and applied to the hydridation of uranium and gadolinium

  5. 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...... considerations, which are discussed in the paper. Studies analyzing design procedures based upon different geometrical solutions and/or operation strategies are considered, and their related advantages are explained. Restrictions to the validity of particular results are also evaluated.Major attention is here...... to the reader as a helpful tool for future design considerations....

  6. 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

  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. Shielding efficiency of metal hydrides and borohydrides in fusion reactors

    DEFF Research Database (Denmark)

    Singh, Vishvanath P.; Badiger, Nagappa M.; Gerward, Leif

    2016-01-01

    at energies 0.015 MeV to15 MeV, and for penetration depths up to 40 mean free paths. Fast-neutron shielding efficiency has been characterized by the effective neutron removal cross-section. It is shown that ZrH2 and VH2 are very good shielding materials for gamma rays and fast neutrons due to their suitable......Mass attenuation coefficients, mean free paths and exposure buildup factors have been used to characterize the shielding efficiency of metal hydrides and borohydrides, with high density of hydrogen. Gamma ray exposure buildup factors were computed using five-parameter geometric progression fitting...... combination of low-and high-Z elements. The present work should be useful for the selection and design of blankets and shielding, and for dose evaluation for components in fusion reactors....

  10. Stability of alkali-metal hydrides: effects of n-type doping

    Science.gov (United States)

    Olea Amezcua, Monica Araceli; de La Peña Seaman, Omar; Rivas Silva, Juan Francisco; Heid, Rolf; Bohnen, Klaus-Peter

    Metal hydrides could be considered ideal solid-state hydrogen storage systems, they have light weight and high hydrogen volumetric densities, but the hydrogen desorption process requires excessively high temperatures due to their high stability. Efforts have been performed to improve their dehydrogenation properties, based on the introduction of defects, impurities and doping. We present a systematic study of the n-type (electronic) doping effects on the stability of two alkali-metal hydrides: Na1-xMgxH and Li1-xBexH. These systems have been studied within the framework of density functional perturbation theory, using a mixed-basis pseudopotential method and the self-consistent version of the virtual crystal approximation to model the doping. The full-phonon dispersions are analyzed for several doping content, paying special attention to the crystal stability. It is found a doping content threshold for each system, where they are close to dynamical instabilities, which are related to charge redistribution in interstitial zones. Applying the quasiharmonic approximation, the vibrational free energy, the linear thermal expansion and heat capacities are obtained for both hydrides systems and are analyzed as a function of the doping content. This work is partially supported by the VIEP-BUAP 2016 and CONACYT-México (No.221807) projects.

  11. DEVELOPMENT OF A FABRICATION PROCESS FOR SOL-GEL/METAL HYDRIDE COMPOSITE GRANULES

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, E; Eric Frickey, E; Leung Heung, L

    2004-02-23

    An external gelation process was developed to produce spherical granules that contain metal hydride particles in a sol-gel matrix. Dimensionally stable granules containing metal hydrides are needed for applications such as hydrogen separation and hydrogen purification that require columns containing metal hydrides. Gases must readily flow through the metal hydride beds in the columns. Metal hydrides reversibly absorb and desorb hydrogen and hydrogen isotopes. This is accompanied by significant volume changes that cause the metal hydride to break apart or decrepitate. Repeated cycling results in very fine metal hydride particles that are difficult to handle and contain. Fine particles tend to settle and pack making it more difficult to flow gases through a metal hydride bed. Furthermore, the metal hydrides can exert a significant force on the containment vessel as they expand. These problems associated with metal hydrides can be eliminated with the granulation process described in this report. Small agglomerates of metal hydride particles and abietic acid (a pore former) were produced and dispersed in a colloidal silica/water suspension to form the feed slurry. Fumed silica was added to increase the viscosity of the feed slurry which helped to keep the agglomerates in suspension. Drops of the feed slurry were injected into a 27-foot tall column of hot ({approx}70 C), medium viscosity ({approx}3000 centistokes) silicone oil. Water was slowly evaporated from the drops as they settled. The drops gelled and eventually solidified to form spherical granules. This process is referred to as external gelation. Testing was completed to optimize the design of the column, the feed system, the feed slurry composition, and the operating parameters of the column. The critical process parameters can be controlled resulting in a reproducible fabrication technique. The residual silicone oil on the surface of the granules was removed by washing in mineral spirits. The granules were

  12. 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.

  13. 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.

  14. Current Compensation of Hydrogen Ion Beam Extracted from PIG with Metal-Hydride Cathode

    International Nuclear Information System (INIS)

    Borisko, V.N.; Sereda, I.N.; Klochko, E.V.; Tseluyko, A.F.; Afanas'eva, I.A.

    2006-01-01

    The effect of extracted hydrogen ion beam compensation from reflective discharge with metal-hydride cathode that sufficiently widens the possible field of applying plasma sources of such type is found. The evolution of energy distribution function of ions extracted along the axial direction from reflective discharge with metal-hydride cathode depending on external parameters of the discharge is investigated. The electron distribution functions which compensate hydrogen ion beam are determined

  15. 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.

  16. 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.

  17. The storage of hydrogen in the form of metal hydrides: An application to thermal engines

    Science.gov (United States)

    Gales, C.; Perroud, P.

    1981-01-01

    The possibility of using LaNi56, FeTiH2, or MgH2 as metal hydride storage sytems for hydrogen fueled automobile engines is discussed. Magnesium copper and magnesium nickel hydrides studies indicate that they provide more stable storage systems than pure magnesium hydrides. Several test engines employing hydrogen fuel have been developed: a single cylinder motor originally designed for use with air gasoline mixture; a four-cylinder engine modified to run on an air hydrogen mixture; and a gas turbine.

  18. DETERMINATION OF METAL HYDRIDE SYSTEMS CHARACTERISTICS WHILE HEATING

    Directory of Open Access Journals (Sweden)

    Yu. Kluchka

    2012-01-01

    Full Text Available Experimental dependence of the pressure of hydrogen in the hydride cartridge when it is heated is obtained. Experimental data prove the theoretical values with an accuracy of ≈ 6%.

  19. Electronic structure and optical properties of lightweight metal hydrides

    NARCIS (Netherlands)

    van Setten, M.J.; Popa, V.A.; Popa, V.A.; de Wijs, G.A.; Brocks, G.

    2007-01-01

    We study the dielectric functions of the series of simple hydrides LiH, NaH, MgH2, and AlH3, and of the complex hydrides Li3AlH6, Na3AlH6, LiAlH4, NaAlH4, and Mg(AlH4)2, using first-principles density-functional theory and GW calculations. All compounds are large gap insulators with GW

  20. 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.

  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. 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.

  3. 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

  4. 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.)

  5. 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.

  6. Adhesion of oxide layer to metal-doped aluminum hydride surface: Density functional calculations

    Science.gov (United States)

    Takezawa, Tomoki; Itoi, Junichi; Kannan, Takashi

    2017-07-01

    The density functional theory (DFT) calculations were carried out to evaluate the adhesion energy of the oxide layer to the metal-doped surface of hydrogen storage material, aluminum hydride (alane, AlH3). The total energy calculations using slab model revealed that the surface doping of some metals to aluminum hydride weakens the adhesion strength of the oxide layer. The influence of titanium, iron, cobalt, and zirconium doping on adhesion strength were evaluated. Except for iron doping, the adhesion strength becomes weak by the doping.

  7. Effects of electron doping on the stability of the metal hydride NaH

    Science.gov (United States)

    Olea-Amezcua, M. A.; Rivas-Silva, J. F.; de la Peña-Seaman, O.; Heid, R.; Bohnen, K. P.

    2017-04-01

    Alkali and alkali-earth metal hydrides have high volumetric and gravimetric hydrogen densities, but due to their high thermodynamic stability, they possess high dehydrogenation temperatures which may be reduced by transforming these compounds into less stable states/configurations. We present a systematic computational study of the electron doping effects on the stability of the alkali metal hydride NaH substituted with Mg, using the self-consistent version of the virtual crystal approximation to model the alloy Na1-x Mg x H. The phonon dispersions were studied paying special attention to the crystal stability and the correlations with the electronic structure taking into account the zero point energy contribution. We found that substitution of Na by Mg in the hydride invokes a reduction of the frequencies, leading to dynamical instabilities for Mg content of 25%. The microscopic origin of these instabilities could be related to the formation of ellipsoidal Fermi surfaces centered at the L point due to the metallization of the hydride by the Mg substitution. Applying the quasiharmonic approximation, thermodynamic properties like heat capacities, vibrational entropies and vibrational free energies as a function of temperature at zero pressure are obtained. These properties determine an upper temperature for the thermodynamic stability of the hydride, which decreases from 600 K for NaH to 300 K at 20% Mg concentration. This significant reduction of the stability range indicates that dehydrogenation could be favoured by electron doping of NaH.

  8. Efficient hydrogen storage in up-scale metal hydride tanks as possible metal hydride compression agents equipped with aluminium extended surfaces

    OpenAIRE

    Gkanas, Evangelos I.; Grant, David M.; Khzouz, Martin; Stuart, Alastair D.; Manickam, Kandavel; Walker, Gavin S.

    2016-01-01

    In the current work, a three-dimensional computational study regarding coupled heat and mass transfer during both the hydrogenation and dehydrogenation process in upscale cylindrical metal hydride reactors is presented, analysed and optimized. Three different heat management scenarios were examined at the degree to which they provide improved system performance. The three scenarios were: 1) plain embedded cooling/heating tubes, 2) transverse finned tubes and 3) longitudinal finned tubes. A de...

  9. Coated metal hydrides for stationary energy storage applications

    OpenAIRE

    Mistry, Priyen C.

    2016-01-01

    This thesis explores suitable materials for energy stores for stationary applications, specifically a prototype hydrogen store, domestic thermal store operating between 25-100 C and a moderate thermal store for a concentrated solar power (CSP) plant operating at 400 C. The approach incorporated a unique coating technique to deliver prototype hydrogen and thermal storage media, where the coating could offer commercial advantages, for example, in the form of hydride activation and enhanced kine...

  10. Empirical and physics based mathematical models of uranium hydride decomposition kinetics with quantified uncertainties.

    Energy Technology Data Exchange (ETDEWEB)

    Salloum, Maher N. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Gharagozloo, Patricia E. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2013-10-01

    Metal particle beds have recently become a major technique for hydrogen storage. In order to extract hydrogen from such beds, it is crucial to understand the decomposition kinetics of the metal hydride. We are interested in obtaining a a better understanding of the uranium hydride (UH3) decomposition kinetics. We first developed an empirical model by fitting data compiled from different experimental studies in the literature and quantified the uncertainty resulting from the scattered data. We found that the decomposition time range predicted by the obtained kinetics was in a good agreement with published experimental results. Secondly, we developed a physics based mathematical model to simulate the rate of hydrogen diffusion in a hydride particle during the decomposition. We used this model to simulate the decomposition of the particles for temperatures ranging from 300K to 1000K while propagating parametric uncertainty and evaluated the kinetics from the results. We compared the kinetics parameters derived from the empirical and physics based models and found that the uncertainty in the kinetics predicted by the physics based model covers the scattered experimental data. Finally, we used the physics-based kinetics parameters to simulate the effects of boundary resistances and powder morphological changes during decomposition in a continuum level model. We found that the species change within the bed occurring during the decomposition accelerates the hydrogen flow by increasing the bed permeability, while the pressure buildup and the thermal barrier forming at the wall significantly impede the hydrogen extraction.

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

    NARCIS (Netherlands)

    Adelhelm, P.A.|info:eu-repo/dai/nl/313907854; de Jongh, P.E.|info:eu-repo/dai/nl/186125372

    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

  12. 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...

  13. 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 sele...

  14. 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

  15. Synthesis of highly active Mg-Based hydrides using hydriding combustion synthesis and NbF5 Additives

    DEFF Research Database (Denmark)

    Chourashiya, M. G.; Park, C. N.; Park, C. J.

    2012-01-01

    Superiority of the hydriding combustion (HC) technique over conventional metallurgical approach to the synthesis of cost-effective Mg based hydrides, which show promise as hydrogen storage materials, is well known. In the present research, we report further improvements in HC prepared Mg-based ma...... samples achieved the maximum absorption/desorption limits (5.3 wt.%) at as low as 100°C, underlining the possibility of the use of these materials in portable hydrogen storage devices.......Superiority of the hydriding combustion (HC) technique over conventional metallurgical approach to the synthesis of cost-effective Mg based hydrides, which show promise as hydrogen storage materials, is well known. In the present research, we report further improvements in HC prepared Mg......-based materials, achieved by optimizing the preparative parameters of HC and by catalytic addition. Mg90-Ni60-C40 composites prepared using optimized processing parameters were ball-milled with NbF5 (10 h) and characterized for their micro-structural and hydriding properties. The ball-milled/catalyzed powder...

  16. Hydride Microstructure at the Metal-Oxide Interface of Zircaloy-4 from H.B. Robinson Nuclear Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Cinbiz, Mahmut N [ORNL; Edmondson, Philip D [ORNL; Terrani, Kurt A [ORNL

    2017-01-01

    This study investigates the hydride rim microstructure at the metal-oxide interface of Zircaloy-4 cladding segment removed from H.B. Robinson Nuclear Reactor by utilizing high resolution electron microscopy techniques with energy dispersive x-ray spectroscopy at Oak Ridge National Laboratory under the NSUF Rapid Turnout Experiment program. A complex stacking and orientation of hydride platelets has been observed below the sub-oxide layer. Furthermore, radial hydride platelets have been observed. EDS signals of both Fe and Cr has been reduced within hydrides whereas EDS signal of Sn is unaffected.

  17. 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.

  18. Synthesis and Characterization of Metal Hydride/Carbon Aerogel Composites for Hydrogen Storage

    Directory of Open Access Journals (Sweden)

    Kuen-Song Lin

    2012-01-01

    Full Text Available Two materials currently of interest for onboard lightweight hydrogen storage applications are sodium aluminum hydride (NaAlH4, a complex metal hydride, and carbon aerogels (CAs, a light porous material connected by several spherical nanoparticles. The objectives of the present work have been to investigate the synthesis, characterization, and hydrogenation behavior of Pd-, Ti- or Fe-doped CAs, NaAlH4, and MgH2 nanocomposites. The diameters of Pd nanoparticles onto CA’s surface and BET surface area of CAs were 3–10 nm and 700–900 m2g−1, respectively. The H2 storage capacity of metal hydrides has been studied using high-pressure TGA microbalance and they were 4.0, 2.7, 2.1, and 1.2 wt% for MgH2-FeTi-CAs, MgH2-FeTi, CAs-Pd, and 8 mol% Ti-doped NaAlH4, respectively, at room temperature. Carbon aerogels with higher surface area and mesoporous structures facilitated hydrogen diffusion and adsorption, which accounted for its extraordinary hydrogen storage phenomenon. The hydrogen adsorption abilities of CAs notably increased after inclusion of metal hydrides by the “hydrogen spillover” mechanisms.

  19. Application of direct numerical analysis by Fast Fourier Transform to isotopic exchange process in a metal hydride particle bed

    International Nuclear Information System (INIS)

    Fukada, Satoshi; Matsuo, Hiroshi; Mitsuishi, Nobuo

    1993-01-01

    Hydrogen isotope separation based on isotopic exchange on metal hydride surfaces has been proposed. In this paper, the material balance equation of deuterium in a particle bed of a metal hydride and the diffusion equation are solved in a Laplace domain, and Fast Fourier Transform (FFT) is adopted to invert Laplace transforms numerically. The system considered includes steps of fluid-film diffusion, isotopic exchange reaction on surfaces and diffusion in solid particles. The effects of each mass-transfer resistance and axial dispersion on the shape of effluent curves are revealed under two different boundary conditions. Experimental effluent curves were obtained using the pulse-change of an influent deuterium concentration in a LaNi 3 Al 2 hydride bed. The exchange capacity and the overall mass-transfer capacity coefficient were determined from fitting in the time domain and were compared with those by Fourier and moment analyses in terms of the time and accuracy of the calculations. The Fourier analysis gave almost the same values of the mass-transfer quantities in shorter time compared with the analysis by FFT and gave the values of up to the third moment more accurately than those by the moment definition. (author)

  20. 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)

  1. 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.

  2. 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

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

    DEFF Research Database (Denmark)

    Payandeh GharibDoust, SeyedHosein

    Renewable energy, such as sun and wind, are sustainable and clean sources of energy for the future but are unevenly distributed both over time and geographically. Therefore, this type of energy must be converted to a form that can be stored and two of the most promising options are hydrogen...... 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...

  4. 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....

  5. 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

  6. 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.

  7. 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

    2016-06-07

    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.

  8. Experimental investigations of adsorption characteristics and porosity of activated metal hydride powders

    Science.gov (United States)

    Kazakov, A. N.; Romanov, I. A.; Kuleshov, V. N.; Dunikov, D. O.

    2017-11-01

    In the present work non-uniformities of microstructure, porosity and adsorption characteristics of La0.9Ce0.1Ni5 metal hydride by the height of the bed are investigated. A 500 g metal hydride bed was cycled inside a vertical metal hydride reactor and three samples was taken from top, middle and bottom of the bed. Non-uniform particle distributions and bed densification were observed, the bed porosity is around 0.58-0.67 at the top and middle parts of the bed and 0.46-0.54 at the bottom, where a dense and robust agglomerate was formed during the cycling. Specific surface area measured by nitrogen adsorption methods is 1.8-2.1 m2/g at the top of the bed, 4.2-5.4 m2/g in the middle and 1.1-1.5 m2/g at the bottom. The maximum is connected with higher degree of particle dispersion without effects from particle agglomeration.

  9. 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.

  10. 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.

  11. 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

  12. 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.

  13. Efficient catalysis by MgCl2 in hydrogen generation via hydrolysis of Mg-based hydride prepared by hydriding combustion synthesis.

    Science.gov (United States)

    Zhao, Zelun; Zhu, Yunfeng; Li, Liquan

    2012-06-04

    Magnesium chloride efficiently catalyzed the hydrolysis of Mg-based hydride prepared by hydriding combustion synthesis. Hydrogen yield of 1635 mL g(-1) was obtained (MgH(2)), i.e. with 96% conversion in 30 min at 303 K.

  14. Performance analysis of a single stage four bed metal hydride cooling system, part A: Influence of mass recovery

    Energy Technology Data Exchange (ETDEWEB)

    Abraham, Kevin; Prakash Maiya, M.; Srinivasa Murthy, S. [Refrigeration and Air-conditioning Laboratory, Department of Mechanical Engineering, Indian Institute of Technology Madras, 600036, Chennai (India)

    2003-01-01

    The concept of mass recovery in metal hydride systems is studied with a single stage multi-bed cooling system as example. Mass recovery results in variation of bed temperatures due to removal or addition of heat of desorption or absorption respectively. Coefficient of performance and cold output increase while required heat input decreases for the mass recovery cycle. Thus mass recovery between hydride reactors is found to improve system performance compared to that of a basic system. (authors)

  15. 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.

  16. The renaissance of hydrides as energy materials

    Science.gov (United States)

    Mohtadi, Rana; Orimo, Shin-Ichi

    2017-02-01

    Materials based on hydrides have been the linchpin in the development of several practical energy storage technologies, of which the most prominent example is nickel-metal hydride batteries. Motivated by the need to meet the future's energy demand, the past decade has witnessed substantial advancements in the research and development of hydrides as media for hydrogen energy storage. More recently, new and rapidly evolving discoveries have positioned hydrides as highly promising materials for future electrochemical energy storage, such as electrolytes for mono- and divalent batteries, and anodes for lithium-ion batteries. In addition, the potential of hydrides in efficient power transmission has been recently revealed. In this Review, we highlight key advances and illustrate how the versatility of hydrides has not only yielded a meaningful past, but also ensures a very bright future.

  17. 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

  18. Non-stoichiometric AB5 alloys for metal hydride electrodes

    Science.gov (United States)

    Reilly, James J.; Adzic, Gordana D.; Johnson, John R.; Vogt, Thomas; McBreen, James

    2001-01-01

    The present invention provides a non-stoichiometric alloy comprising a composition having the formula AB.sub.5+X an atomic ratio wherein A is selected from the group consisting of the rare earth metals, yttrium, mischmetal, or a combination thereof; B is nickel and tin, or nickel and tin and at least a third element selected from the group consisting of the elements in group IVA of the periodic table, aluminum, manganese, iron, cobalt, copper, antimony or a combination thereof; X is greater than 0 and less than or equal to about 2.0; and wherein at least one substituted A site is occupied by at least one of the B elements. An electrode incorporating said alloy and an electrochemical cell incorporating said electrode are also described.

  19. Experimental Hydrogen Plant with Metal Hydrides to Store and Generate Electrical Power

    Science.gov (United States)

    Gonzatti, Frank; Nizolli, Vinícius; Ferrigolo, Fredi Zancan; Farret, Felix Alberto; de Mello, Marcos Augusto Silva

    2016-02-01

    Generation of electrical energy with renewable sources is interruptible due to the primary energy characteristics (sun, wind, hydro, etc.). In these cases, it is necessary to use energy storage so increasing penetrability of these sources connected to the distribution system. This paper discusses in details some equipment and accessories of an integrated power plant using fuel cell stack, electrolyzer and metal hydrides. During the plant operation were collected the power consumption data and established the efficiency of each plant component. These data demonstrated an overall efficiency of about 11% due to the low efficiencies of the commercial electrolyzers and power inverters used in the experiments.

  20. Pressure-induced hydrogen-dominant metallic state in aluminum hydride.

    Science.gov (United States)

    Goncharenko, Igor; Eremets, M I; Hanfland, M; Tse, J S; Amboage, M; Yao, Y; Trojan, I A

    2008-02-01

    Two structural transitions in covalent aluminum hydride AlH3 were characterized at high pressure. A metallic phase stable above 100 GPa is found to have a remarkably simple cubic structure with shortest first-neighbor H-H distances ever measured except in H2 molecule. Although the high-pressure phase is predicted to be superconductive, this was not observed experimentally down to 4 K over the pressure range 120-164 GPa. The results indicate that the superconducting behavior may be more complex than anticipated.

  1. Feasibility study for the recycling of nickel metal hydride electric vehicle batteries. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Sabatini, J.C.; Field, E.L.; Wu, I.C.; Cox, M.R.; Barnett, B.M.; Coleman, J.T. [Little (Arthur D.), Inc., Cambridge, MA (United States)

    1994-01-01

    This feasibility study examined three possible recycling processes for two compositions (AB{sub 2} and AB{sub 5}) of nickel metal hydride electric vehicle batteries to determine possible rotes for recovering battery materials. Analysts examined the processes, estimated the costs for capital equipment and operation, and estimated the value of the reclaimed material. They examined the following three processes: (1) a chemical process that leached battery powders using hydrochloric acid, (2) a pyrometallurical process, and (3) a physical separation/chemical process. The economic analysis revealed that the physical separation/chemical process generated the most revenue.

  2. 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.

  3. 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.

  4. Design and fabricate a metallic hydride heat pump with a cooling capacity of 9000 BTU/H

    Science.gov (United States)

    Golben, P. M.; Huston, E. L.

    1989-02-01

    Existing Environmental Control Equipment (ECE) for truck mounted electronic communication shelters are powered by Army generator sets. Fully 50 percent of the generated power is consumed by the ECE. Innovative ECE technology was sought to reduce this electrical load. The heat content of the diesel generator exhaust gas was viewed as a potential waste heat source for thermally driven ECE systems. Metal hydride heat pumps were proposed as for this application. The purpose of this contract was to produce a prototype metal hydride air conditioner of 9000 BTU/H capacity and compare system size, weight, electric power requirements and performance with a standard Army air conditioner of the same capacity.

  5. 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.

  6. First-Principles Modeling of Hydrogen Storage in Metal Hydride Systems

    Energy Technology Data Exchange (ETDEWEB)

    J. Karl Johnson

    2011-05-20

    The objective of this project is to complement experimental efforts of MHoCE partners by using state-of-the-art theory and modeling to study the structure, thermodynamics, and kinetics of hydrogen storage materials. Specific goals include prediction of the heats of formation and other thermodynamic properties of alloys from first principles methods, identification of new alloys that can be tested experimentally, calculation of surface and energetic properties of nanoparticles, and calculation of kinetics involved with hydrogenation and dehydrogenation processes. Discovery of new metal hydrides with enhanced properties compared with existing materials is a critical need for the Metal Hydride Center of Excellence. New materials discovery can be aided by the use of first principles (ab initio) computational modeling in two ways: (1) The properties, including mechanisms, of existing materials can be better elucidated through a combined modeling/experimental approach. (2) The thermodynamic properties of novel materials that have not been made can, in many cases, be quickly screened with ab initio methods. We have used state-of-the-art computational techniques to explore millions of possible reaction conditions consisting of different element spaces, compositions, and temperatures. We have identified potentially promising single- and multi-step reactions that can be explored experimentally.

  7. 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.

  8. Metal hydride/chemical heat-pump development project, phase 1

    Science.gov (United States)

    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 1100 C (160 to 2300 F) for the source heat and 140 to 1900 C (280 to 3750 F) for the product heat.

  9. Effects of the Electronic Doping In the Stability of the Metal Hydride NaH

    Science.gov (United States)

    Olea-Amezcua, Monica-Araceli; Rivas-Silva, Juan-Francisco; de La Peña-Seaman, Omar; Heid, Rolf; Bohnen, Klaus-Peter

    2015-03-01

    Despite metal hydrides light weight and high hydrogen volumetric densities, the Hydrogen desorption process requires excessively high temperatures due to their high stability. Attempts for improvement the hydrogenation properties have been focus on the introduction of defects, impurities and doping on the metal hydride. We present a systematic study of the electronic doping effects on the stability of a model system, NaH doped with magnesium, forming the alloying system Na1-xMgxH. We use the density functional theory (DFT) and the self-consistent version of the virtual crystal approximation (VCA) to model the doping of NaH with Mg. The evolution of the ground state structural and electronic properties is analyzed as a function of Mg-content. The full-phonon dispersion, calculated by the linear response theory (LRT) and density functional perturbation theory (DFPT), is analyzed for several Mg-concentrations, paying special attention to the crystal stability and the correlations with the electronic structure. Applying the quasiharmonic approximation (QHA), the free energy from zero-point motion is obtained, and its influence on the properties under study is analyzed. This work is partially supported by the VIEP-BUAP (OMPS-EXC14-I) and CONACYT-Mexico (No. 221807) projects.

  10. 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)

  11. 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

  12. Metal Hydrides, MOFs, and Carbon Composites as Space Radiation Shielding Mitigators

    Science.gov (United States)

    Atwell, William; Rojdev, Kristina; Liang, Daniel; Hill, Matthew

    2014-01-01

    Recently, metal hydrides and MOFs (Metal-Organic Framework/microporous organic polymer composites - for their hydrogen and methane storage capabilities) have been studied with applications in fuel cell technology. We have investigated a dual-use of these materials and carbon composites (CNT-HDPE) to include space radiation shielding mitigation. In this paper we present the results of a detailed study where we have analyzed 64 materials. We used the Band fit spectra for the combined 19-24 October 1989 solar proton events as the input source term radiation environment. These computational analyses were performed with the NASA high energy particle transport/dose code HZETRN. Through this analysis we have identified several of the materials that have excellent radiation shielding properties and the details of this analysis will be discussed further in the paper.

  13. Zr - based alloys as hydride electrodes in Ni-MH batteries

    International Nuclear Information System (INIS)

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

    1999-01-01

    Hydrogen storage alloys, MH, are already used in Ni-MH alkaline batteries conquering an important share of the rechargeable nickel-cadmium battery market. This remarkable success is due not only to the replacement of the toxic material, cadmium, by metal hydrides but also to an increased specific energy, which makes them attractive for electric vehicles. Many research groups are concerned in the improvement of the hydride electrode characteristics: hydrogen storage capacity, high-rate discharge ability, increased cycle life. These properties can be modified by substitution of the base components of a given alloy. A comparison of two types of alloys suitable for MH electrodes LaNi 5 able to store 1.36 w/o hydrogen with Zr(Ti)-Ni alloys of the AB 2 Laves phase type structure showed that the latter could absorb higher amounts of hydrogen. We report part of studies on Zr-V-Cr-Ni of the 15 C type Laves phase structure using our original procedure for pasted electrodes. The substitution of Cr for V atoms in ZrV 0.5 Ni 1 . 5 did not increase the discharge capacity. However, it proved to have a remarkable effect on the discharge capacity C at low temperatures. C at - 12 deg. C as compared to 20 deg.C increases up to ∼ 65 % for Cr containing alloys. (authors)

  14. Progress towards a process for the recycling of nickel metal hydride electric cells using a deep eutectic solvent

    Directory of Open Access Journals (Sweden)

    Mark R.StJ. Foreman

    2016-12-01

    Full Text Available Solvent extraction experiments relating to the recycling of the transition metals and lanthanides in nickel metal hydride cells are presented. The metal extraction is occurring from a deep eutectic solvent which is formed from chemicals suitable for use in food and related products. While it has been shown that the water content of the DES has a large effect on the extraction of transition metals by a mixture of chloride ionic liquid (Aliquat 336 and an aromatic solvent, the water content has a smaller effect on the solvent extraction of lanthanides with a solution of di(2-ethylhexyl hydrogen phosphate (DEHPA in a saturated aliphatic hydrocarbon. This study suggests that an industrial scale solvent extraction process for the recycling of metals from nickel hydride electrical cells will be feasible.

  15. 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

  16. Reduced enthalpy of metal hydride formation for Mg-Ti nanocomposites produced by spark discharge generation.

    Science.gov (United States)

    Anastasopol, Anca; Pfeiffer, Tobias V; Middelkoop, Joost; Lafont, Ugo; Canales-Perez, Roger J; Schmidt-Ott, Andreas; Mulder, Fokko M; Eijt, Stephan W H

    2013-05-29

    Spark discharge generation was used to synthesize Mg-Ti nanocomposites consisting primarily of a metastable body-centered-cubic (bcc) alloy of Mg and Ti. The bcc Mg-Ti alloy transformed upon hydrogenation into the face-centered-cubic fluorite Mg1-yTiyHx phase with favorable hydrogen storage properties. Both metal and metal hydride nanocomposites showed a fractal-like porous morphology, with a primary particle size of 10-20 nm. The metal content of 70 atom % (at %) Mg and 30 at % Ti, consistently determined by XRD, TEM-EDS, and ICP-OES, was distributed uniformly across the as-prepared sample. Pressure-composition isotherms for the Mg-Ti-H nanocomposites revealed large differences in the thermodynamics relative to bulk MgH2, with a much less negative enthalpy of formation of the hydride as small as -45 ± 3 kJ/molH2 as deduced from van't Hoff plots. The plateau pressures of hydrogenation were substantially higher than those for bulk MgH2 in the low temperature range from 150 to 250 °C. The reaction entropy was simultaneously reduced to values down to 84 ± 5 J/K mol H2, following a linear relationship between the enthalpy and entropy. Plausible mechanisms for the modified thermodynamics are discussed, including the effect of lattice strains, the presence of interfaces and hydrogen vacancies, and the formation of excess free volume due to local deformations. These mechanisms all rely on the finely interdispersed nanocomposite character of the samples which is maintained by grain refinement.

  17. 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)

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

    Energy Technology Data Exchange (ETDEWEB)

    Yasuoka, Shigekazu; Magari, Yoshifumi; Murata, Tetsuyuki; Tanaka, Tadayoshi; Ishida, Jun; Nakamura, Hiroshi; Nohma, Toshiyuki [Mobile Energy Company, Sanyo Electric Co. Ltd., 7-3-2, Ibukidai-higashimachi Nishi-ku, Kobe, Hyogo 651-2242 (Japan); Kihara, Masaru; Baba, Yoshitaka; Teraoka, Hirohito [Sanyo Energy Twicell Co. Ltd., 307-2 Koyagimachi, Takasaki, Gunma 370-0071 (Japan)

    2006-06-01

    New R-Mg-Ni (R: rare earths) superlattice alloys with higher-capacity and higher-durability than the conventional Mm-Ni alloys with CaCu{sub 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)

  19. A high-efficiency power cycle in which hydrogen is compressed by absorption in metal hydrides.

    Science.gov (United States)

    Powell, J R; Salzano, F J; Yu, W S; Milau, J S

    1976-07-23

    A high-efficiency power cycle is proposed in which molecular hydrogen gas is used as a working fluid in a regenerative closed Brayton cycle. The hydrogen gas is compressed by an absorption-desorption cycle on metal hydride (FeTiH(x)) beds. Low-temperature solar or geothermal heat (temperature about 100 degrees C) is used for the compression process, and high-temperature fossil fuel or nuclear heat (temperature about 700 degrees C) supplies the expansion work in the turbine. Typically, about 90 percent of the high-temperature heat input is converted to electricity, while about 3 kilowatts of low-temperature heat is required per kilowatt of electrical output.

  20. 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)

  1. Electrochemical and Optical Properties of Magnesium-Alloy Hydrides Reviewed

    Directory of Open Access Journals (Sweden)

    Thirugnasambandam G. Manivasagam

    2012-10-01

    Full Text Available As potential hydrogen storage media, magnesium based hydrides have been systematically studied in order to improve reversibility, storage capacity, kinetics and thermodynamics. The present article deals with the electrochemical and optical properties of Mg alloy hydrides. Electrochemical hydrogenation, compared to conventional gas phase hydrogen loading, provides precise control with only moderate reaction conditions. Interestingly, the alloy composition determines the crystallographic nature of the metal-hydride: a structural change is induced from rutile to fluorite at 80 at.% of Mg in Mg-TM alloy, with ensuing improved hydrogen mobility and storage capacity. So far, 6 wt.% (equivalent to 1600 mAh/g of reversibly stored hydrogen in MgyTM(1-yHx (TM: Sc, Ti has been reported. Thin film forms of these metal-hydrides reveal interesting electrochromic properties as a function of hydrogen content. Optical switching occurs during (dehydrogenation between the reflective metal and the transparent metal hydride states. The chronological sequence of the optical improvements in optically active metal hydrides starts with the rare earth systems (YHx, followed by Mg rare earth alloy hydrides (MgyGd(1-yHx and concludes with Mg transition metal hydrides (MgyTM(1-yHx. In-situ optical characterization of gradient thin films during (dehydrogenation, denoted as hydrogenography, enables the monitoring of alloy composition gradients simultaneously.

  2. Mound Laboratory activities in chemical and physical research: July--December 1976. [Isotope separation; metal hydride research, separation chemistry and separation research

    Energy Technology Data Exchange (ETDEWEB)

    1977-05-04

    The status of the following programs is reported: isotope separation of carbon, argon, helium, krypton, neon, xenon, oxygen, and sulfur; metal hydride research; separation chemistry; and separation research. (LK)

  3. A review of recent advances on the effects of microstructural refinement and nano-catalytic additives on the hydrogen storage properties of metal and complex hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Varin, R. A.; Zbroniec, L. [University of Waterloo, Department of Mechanical and Mechatronics Engineering, Waterloo, Ontario (Canada); Polanski, M.; Bystrzycki, J. [Faculty of Advanced Technology and Chemistry, Military University of Technology, Warsaw (Poland)

    2011-07-01

    The recent advances on the effects of microstructural refinement and various nano-catalytic additives on the hydrogen storage properties of metal and complex hydrides obtained in the last few years in the allied laboratories at the University of Waterloo (Canada) and Military University of Technology (Warsaw, Poland) are critically reviewed in this paper. The research results indicate that microstructural refinement (particle and grain size) induced by ball milling influences quite modestly the hydrogen storage properties of simple metal and complex metal hydrides. On the other hand, the addition of nanometric elemental metals acting as potent catalysts and/or metal halide catalytic precursors brings about profound improvements in the hydrogen absorption/desorption kinetics for simple metal and complex metal hydrides alike. In general, catalytic precursors react with the hydride matrix forming a metal salt and free nanometric or amorphous elemental metals/intermetallics which, in turn, act catalytically. However, these catalysts change only kinetic properties i.e. the hydrogen absorption/desorption rate but they do not change thermodynamics (e.g., enthalpy change of hydrogen sorption reactions). It is shown that a complex metal hydride, LiAlH{sub 4}, after high energy ball milling with a nanometric Ni metal catalyst and/or MnCl{sub 2} catalytic precursor, is able to desorb relatively large quantities of hydrogen at room temperature, 40 and 80 {sup o}C. This kind of behavior is very encouraging for the future development of solid state hydrogen systems. (authors)

  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. 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.

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

    Science.gov (United States)

    Börries, S.; Metz, O.; Pranzas, P. K.; Bücherl, T.; Söllradl, S.; Dornheim, M.; Klassen, T.; Schreyer, A.

    2015-10-01

    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.

  7. 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

  8. 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

  9. Method of production of pure hydrogen near room temperature from aluminum-based hydride materials

    Science.gov (United States)

    Pecharsky, Vitalij K.; Balema, Viktor P.

    2004-08-10

    The present invention provides a cost-effective method of producing pure hydrogen gas from hydride-based solid materials. The hydride-based solid material is mechanically processed in the presence of a catalyst to obtain pure gaseous hydrogen. Unlike previous methods, hydrogen may be obtained from the solid material without heating, and without the addition of a solvent during processing. The described method of hydrogen production is useful for energy conversion and production technologies that consume pure gaseous hydrogen as a fuel.

  10. Degradation mechanisms of high-energy bipolar nickel metal hydride battery with AB5 and A2B7 alloys

    International Nuclear Information System (INIS)

    Zhou, X.; Young, K.; West, J.; Regalado, J.; Cherisol, K.

    2013-01-01

    Highlights: •Failure modes of NiMH battery with AB 5 and A 2 B 7 alloys were reported. •Stable gamma-NiOOH was formed with the incorporation of Al from negative electrode. •The formation of gamma-NiOOH caused capacity degradation in AB 5 -containing battery. •Pulverization of the main A 2 B 7 phase is the main failure mode for A 2 B 7 -containing battery. -- Abstract: The failure modes of nickel/metal hydride batteries made from conventional AB 5 and La-only Mg-containing A 2 B 7 metal hydride alloys were studied at the end of 70% state-of-charge cycle life testing (reaching below 3.1 Ah capacity in a 5.5 Ah design cell) by the combination of inductively coupled plasma, scanning electron microscope, X-ray energy dispersive spectroscopy and composition mapping, and X-ray diffraction analysis. The capacity degradation of cell with AB 5 alloy was found to have been caused by the combination of metal hydride alloy oxidation and non-reversible γ-NiOOH phase formation, which was promoted by the incorporation of Al leached out from the oxidation product of the Al-containing negative electrode. In the cell with Al-free A 2 B 7 alloy, the end of cycle life was the result of pulverization in the main A 2 B 7 phase

  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. A model for hydride-induced embrittlement in zirconium-based alloys

    International Nuclear Information System (INIS)

    Waeppling, D.; Massih, A.R.; Staahle, P.

    1997-01-01

    The critical stress intensity factor for hydrided zirconium-alloys is calculated using a Dugdale type model for a finite crack. The hydride platelets are assumed to surround the ends of the crack. They are located in the process region of the crack tip. The model is used to calculate the temperature dependence of the critical stress intensity factor and the results are compared with measurements performed on Zr-2.5Nb and Zircaloy. The model in general describes the experimental data satisfactorily, nevertheless, it gives implausible results for a certain range of temperatures. The deficiency is attributed to the lack of appropriate constitutive relations for the hydrided zirconium-based alloys. (orig.)

  13. In operando neutron diffraction study of LaNdMgNi9H13 as a metal hydride battery anode

    Science.gov (United States)

    Nazer, N. S.; Denys, R. V.; Yartys, V. A.; Hu, Wei-Kang; Latroche, M.; Cuevas, F.; Hauback, B. C.; Henry, P. F.; Arnberg, L.

    2017-03-01

    La2MgNi9-related alloys are superior metal hydride battery anodes as compared to the commercial AB5 alloys. Nd-substituted La2-yNdyMgNi9 intermetallics are of particular interest because of increased diffusion rate of hydrogen and thus improved performance at high discharge currents. The present work presents in operando characterization of the LaNdMgNi9 intermetallic as anode for the nickel metal hydride (Ni-MH) battery. We have studied the structural evolution of LaNdMgNi9 during its charge and discharge using in situ neutron powder diffraction. The work included experiments using deuterium gas and electrochemical charge-discharge measurements. The alloy exhibited a high electrochemical discharge capacity (373 mAh/g) which is 20% higher than the AB5 type alloys. A saturated β-deuteride synthesized by solid-gas reaction at PD2 = 1.6 MPa contained 12.9 deuterium atoms per formula unit (D/f.u.) which resulted in a volume expansion of 26.1%. During the electrochemical charging, the volume expansion (23.4%) and D-contents were found to be slightly reduced. The reversible electrochemical cycling is performed through the formation of a two-phase mixture of the α-solid solution and β-hydride phases. Nd substitution contributes to the high-rate dischargeability, while maintaining a good cyclic stability. Electrochemical Impedance Spectroscopy (EIS) was used to characterize the anode electrode on cycling. A mathematical model for the impedance response of a porous electrode was utilized. The EIS showed a decreased hydrogen transport rate during the long-term cycling, which indicated a corresponding slowing down of the electrochemical processes at the surface of the metal hydride anode.

  14. Cobalt-free nickel–metal hydride battery for industrial applications

    International Nuclear Information System (INIS)

    Takasaki, Tomoaki; Nishimura, Kazuya; Saito, Makoto; Fukunaga, Hiroshi; Iwaki, Tsutomu; Sakai, Tetsuo

    2013-01-01

    Highlights: ► The development of RE 0.9 Mg 0.1 Ni 3.9 Al 0.2 alloy (alloy no. 1) electrode. ► Good high-rate discharge using alloy no. 1 as negative electrode. ► Effective self-discharge suppression using alloy no. 1 as negative electrode. ► Adequate cycling durability using carbon-coated Ni(OH) 2 as positive electrode. ► Good high-rate characteristics in a large-sized Co-free Ni–MH battery. -- Abstract: A cobalt-free (Co-free) RE 0.9 Mg 0.1 Ni 3.9 Al 0.2 alloy (RE: rare earth) was prepared for use in a nickel–metal hydride (Ni–MH) battery. The use of the alloy as the negative electrode of the Ni–MH battery effectively improved the high-rate discharge and suppressed the self-discharge compared to the conventional AB 5 -type alloy. Moreover, carbon-coated Ni(OH) 2 has been developed to produce a Co-free Ni–MH battery. This material exhibits a capacity retention comparable to that of the conventional CoOOH-coated Ni(OH) 2 . A 205 A h Co-free Ni–MH battery cell was constructed using the Co-free materials, and this cell exhibited a good high-rate discharge performance

  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. Cesium Platinide Hydride 4Cs 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 USA; Mudring, Anja-Verena [Ames Laboratory, US Department of Energy, and Critical Materials Institute, Ames Iowa 50011-3020 USA; Department of Materials Sciences and Engineering, Iowa State University, Ames Iowa 50011-3111 USA

    2016-10-24

    With Cs9Pt4H a new representative of ionic compounds featuring metal anions can be added to this rare-membered family. Cs9Pt4H exhibits a complex crystal structure containing Cs+ cations, Pt2- and H- 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, Cs2Pt, and the salt cesium hydride CsH according to Cs9Pt4H≡4 Cs2Pt∙CsH.

  17. 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)

  18. Cesium platinide hydride 4Cs2Pt.CsH: an intermetallic double salt featuring metal anions

    International Nuclear Information System (INIS)

    Smetana, Volodymyr; Mudring, Anja-Verena

    2016-01-01

    With Cs 9 Pt 4 H a new representative of ionic compounds featuring metal anions can be added to this rare-membered family. Cs 9 Pt 4 H exhibits a complex crystal structure containing Cs + cations, Pt 2- and H - 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 2 Pt, and the salt cesium hydride CsH according to Cs 9 Pt 4 H≡4 Cs 2 Pt.CsH. (copyright 2016 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  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. Current Issues on Hydride Effects of Zr-base Cladding Tube on the Ductility in RIA simulating Tests

    International Nuclear Information System (INIS)

    Kim, Sunki; Bang, Jegeon; Lee, Chanbock; Kim, Daeho; Yang, Yongsik

    2006-01-01

    During operation in nuclear reactor the cladding tube forms a hydride rim that resides above a substrate that is relatively free of hydrides. A prediction of the ductility of such cladding tubes must take into account: the density of the hydrides as a layer/rim and the rim thickness, the ability of the hydrides to deform, their circumferential orientation within the layer, and the presence of a relatively unhydrided substrate. Recent experiments based on unirradiated cladding tubes containing hydrides in the form of a rim indicate a significant loss of ductility with (a) increasing hydrogen content and/or (b) increasing hydride rim thicknesses. These results suggest that a ductile-to brittle transition occurs with increasing hydride rim thickness. Since the hydride rim initiates a crack early in the deformation process, fracture mechanics has been recently used to predict failure on the basis of crack propagation. While this type of analysis can be applied to brittle cladding with thick hydride rims, failure of cladding with small- thickness hydride rims exhibits significant ductility; importantly, this cladding does not appear to obey fracture mechanics, as the fracture stress approaches the tensile strength of the cladding. To provide a data base for the regulatory guide of light water reactors, behavior of reactor fuels during off normal and postulated accident conditions such as reactivity-initiated accident (RIA) has been studied in the Nuclear Safety Research Reactor (NSRR) program in Japan. A series of experiments with high burnup fuel rods were performed by using pulse irradiation capability of the NSRR. This paper presents recent results obtained from the NSRR power burst experiments with irradiated PWR fuels with ZIRLOTM and MDA (Mitsubishi Developed Alloy, Zr-0.8Sn- 0.2Fe-0.1Cr-0.5Nb) claddings, and discusses effects of pellet expansion as PCMI (Pellet-Cladding Mechanical Interaction) loading and cladding embrittlement primarily due to hydrogen

  1. 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

  2. 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.

  3. 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.

  4. 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.

  5. Performance and cycle life test results of a PEVE first-generation prismatic nickel/metal-hydride battery pack

    Science.gov (United States)

    Potter, B. G.; Duong, T. Q.; Bloom, I.

    A first-generation, prismatic, nickel/metal-hydride battery pack from Panasonic EV Energy Company Ltd. (PEVE) was characterized following the standard PNGV test procedures and then cycle life tested at 25 °C. The pack met, or exceeded, PNGV power and energy goals at the beginning of life. After more than 500,000 cycles, the data for capacity and discharge pulse power capability showed no measurable fade; similarly, discharge pulse resistance at 60% DOD also showed no measurable change. After the same pack was tested with two size factors, it still met or exceeded the PNGV goals.

  6. 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

  7. 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.)

  8. Boron-nitrogen based hydrides and reactive composites for hydrogen storage

    DEFF Research Database (Denmark)

    Jepsen, Lars H.; Ley, Morten B.; Lee, Young-Su

    2014-01-01

    Hydrogen forms chemical compounds with most other elements and forms a variety of different chemical bonds. This fascinating chemistry of hydrogen has continuously provided new materials and composites with new prospects for rational design and the tailoring of properties. This review highlights ...... a range of new boron and nitrogen based hydrides and illustrates how hydrogen release and uptake properties can be improved. © 2014 Elsevier Ltd....

  9. Characterisation of a 3 kW PEFC power system coupled with a metal hydride H 2 storage

    Science.gov (United States)

    Bossi, C.; Del Corno, A.; Scagliotti, M.; Valli, C.

    Fuel cells and hydrogen storages, eventually integrated in hybrid power systems with hydrogen production from renewables, represent an interesting option for small stationary applications such as power generation in remote sites beyond the grid or back up power for telecom stations. This paper deals with the CESI RICERCA experiences on a polymer electrolyte fuel cell (PEFC) power system fuelled with the hydrogen supplied by a metal hydride storage. The power system consists of three ReliOn Independence 1000 PEFC units, a battery bank and a 3.3 kWe DC-AC converter (inverter). The hydrogen storage is made of LaNi 5 type powders and can supply more than 6 Nm 3 of hydrogen per discharge cycle. The PEFC units, the inverter and the hydrogen storage performances were characterised. These subsystems were integrated into an automated power generation system and connected to a local grid including other power generators, power quality analysers, energy storage systems and electrical loads. The main features of the integrated system are analysed herein. In particular the overall system stability upon cycling, the heat transfer issues and the possibility of recovering the fuel cell waste heat to extract hydrogen from the metal hydrides are discussed. Finally, during grid-connected operations, the power quality indexes were measured and found in agreement with the EN 50160 standard.

  10. Metal and Metal Alloy Hydride Nuclear Acoustic Resonance and Nuclear Magnetic Resonance.

    Science.gov (United States)

    Hudson, Rebecca Scholz

    Effects of interstitial hydrogen on the quadrupole coupled nuclear acoustic resonance (NAR) and the (skin depth) nuclear magnetic resonance (NMR) line shapes and magnetic field positions of ('51)V and ('93)Nb were studied at 300K and 1 tesla in annealed single crystals of the transition metal alloys Nb(,.96)V(,.04)H(,x) (x (LESSTHEQ) .07), V(,.96)Nb(,.04)H(,x) (x (LESSTHEQ) .04), Ta(,.96)Nb(,.07)H(,x) (x (LESSTHEQ) .20) and Ta(,.68)Nb.04H(,x) (x (LESSTHEQ) .23), with the hydrogen in the gaseous (alpha) phase. This work was undertaken to further the understanding of the role of hydrogen in alloys. Static quadrupole effects dominate the line widths, with the ('51)V NMR in the NbV alloys exhibiting first order broadening, the ('93)Nb NMR line width broadened in second order in Nb(,.96)V(,.04),Ta(,.68)Nb(,.32) and Ta(,.93)Nb(,.07), and the ('93)Nb NAR in Nb(,.96)V(,.04) broadened more than an order of magnitude over the pure niobium NAR. No ('181)Ta NAR was observed, due to severe quadrupole effects coupled with its large quadrupole moment. As hydrogen is absorbed by Nb(,.96)V(,.04), the ('93)Nb NMR and NAR line widths narrow and the ('51)V Knight shift increases, in accord with a previous study which proposes the vanadium atoms trap hydrogen in their nearest neighboring tetrahedral sites. This is compatible with the increase seen in the ('51)V line width, thought to arise from the sharing of trapped hydrogen by neighboring vanadium atoms. The absorption of hydrogen by V(,.96)Nb(,.04) initially relieves the quadrupole broadening of ('51)V NMR but finally broadens the line width, while causing the ('51)V Knight shift to increase. This is consistent with a model in which hydrogen avoids sites near the Nb atoms. The absorption of hydrogen narrows the ('93)Nb line width in Ta(,93)Nb(,.07) but appears to have no effect on it in Ta(,.68)Nb(,.32), while the ('93)Nb Knight shift is increased slightly in both alloys. Also, the first measurement of the dipole coupled NAR of ('25

  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. 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. 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,

  14. Using magnetization measurements to detect small amounts of plutonium hydride formation in plutonium metal

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae Wook [Rutgers Univ., New Brunswick, NJ (United States); Mielke, Charles H. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Zapf, Vivien [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Baiardo, Joseph P. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Mitchell, Jeremy N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Richmond, Scott [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Schwartz, Daniel S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Mun, Eun D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Smith, Alice Iulia [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-10-20

    We report the formation of plutonium hydride in 2 at % Ga-stabilized δ-Pu, with 1 atomic % H charging. We show that magnetization measurements are a sensitive, quantitative measure of ferromagnetic plutonium hydride against the nonmagnetic background of plutonium. It was previously shown that at low hydrogen concentrations, hydrogen forms super-abundant vacancy complexes with plutonium, resulting in a bulk lattice contraction. Here we use magnetization, X-ray and neutron diffraction measurements to show that in addition to forming vacancy complexes, at least 30% of the H atoms bond with Pu to precipitate PuHx, largely on the surface of the sample with x ~ 1.9. We observe magnetic hysteresis loops below 40 K with magnetic remanence, consistent with precipitates of ferromagnetic PuH1.9.

  15. Thermodynamic System Studies for a Natural Gas Combined Cycle (NGCC) Plant with CO2 Capture and Hydrogen Storage with Metal Hydrides

    NARCIS (Netherlands)

    Thallam Thattai, A.; Wittebrood, B.J.; Woudstra, T.; Geerlings, J.J.C.; Aravind, P.V.

    2014-01-01

    Flexibility in natural gas combined cycle power plants (NGCC) with pre-combustion CO2 capture could be introduced with co-production of hydrogen and subsequent hydrogen storage with metal hydrides (MH). The current work presents a thermodynamic analysis and comparison between steady state ASPEN Plus

  16. Comparative study of In-Out and Out-In hydrogen reaction alternatives for metal hydride beds using RET 1 computer code

    Energy Technology Data Exchange (ETDEWEB)

    El-Osery, I.A.

    1984-01-01

    The paper presents the results of a comparative study of two alternatives for progress for hydrogen reaction in metal hydride hydrogen storage beds namely In-Out and Out-In through the application of a space-time dependent computer code RET 1 for the solution of the associated mass and heat transfer problem. The reference model for the metal hydride storage bed is considered of cylindrical shape and composed of a multiple of a cylindrical cell, that either consists of a coaxial fluid tube surrounded by the granular iron-titanium metal hydride called In-Out cell or consists of a coaxial rod of the granular iron-titanium metal hydride surrounded by an annular fluid tube called Out-In cell. The results of the study lead to the conclusion that for the same operating and physical conditions, the rate of hydrogen reaction in the Out-In cell is many times higher than that in the In-Out one.

  17. 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...

  18. Hydrogenation using hydrides and acid

    Science.gov (United States)

    Bullock, R. Morris

    1990-10-30

    A process for the non-catalytic hydrogenation of organic compounds, which contain at least one reducible functional group, which comprises reacting the organic compound, a hydride complex, preferably a transition metal hydride complex or an organosilane, and a strong acid in a liquid phase.

  19. 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.

  20. Reversible Hydride Transfer to N,N'-Diarylimidazolinium Cations from Hydrogen Catalyzed by Transition Metal Complexes Mimicking the Reaction of [Fe]-Hydrogenase.

    Science.gov (United States)

    Hatazawa, Masahiro; Yoshie, Naoko; Seino, Hidetake

    2017-07-17

    [Fe]-hydrogenase is a key enzyme involved in methanogenesis and facilitates reversible hydride transfer from H 2 to N 5 ,N 10 -methenyltetrahydromethanopterin (CH-H 4 MPT + ). In this study, a reaction system was developed to model the enzymatic function of [Fe]-hydrogenase by using N,N'-diphenylimidazolinium cation (1 + ) as a structurally related alternative to CH-H 4 MPT + . In connection with the enzymatic mechanism via heterolytic cleavage of H 2 at the single metal active site, several transition metal complex catalysts capable of such activation were utilized in the model system. Reduction of 1[BF 4 ] to N,N'-diphenylimidazolidine (2) was achieved under 1 atm H 2 at ambient temperature in the presence of an equimolar amount of NEt 3 as a proton acceptor. The proposed catalytic pathways involved the generation of active hydride complexes and subsequent intermolecular hydride transfer to 1 + . The reverse reaction was accomplished by treatment of 2 with HNMe 2 Ph + as the proton source, where [(η 5 -C 5 Me 5 )Ir{(p-MeC 6 H 4 SO 2 )NCHPhCHPhNH}] was found to catalyze the formation of 1 + and H 2 with high efficiency. These results are consistent with the fact that use of 2,6-lutidine in the forward reaction or 2,6-lutidinium in the reverse reaction resulted in incomplete conversion. By combining these reactions using the above Ir amido catalyst, the reversible hydride transfer interconverting 1 + /H 2 and 2/H + was performed successfully. This system demonstrated the hydride-accepting and hydride-donating modes of biologically relevant N-heterocycles coupled with proton concentration. The influence of substituents on the forward and reverse reactivities was examined for the derivatives of 1 + and 2 bearing one para-substituted N-phenyl group.

  1. Z-H Bond Activation in (Di)hydrogen Bonding as a Way to Proton/Hydride Transfer and H2Evolution.

    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.

  2. 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.

  3. 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

  4. 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.

  5. Signal-enhanced electrochemiluminescence immunosensor based on synergistic catalysis of nicotinamide adenine dinucleotide hydride and silver nanoparticles.

    Science.gov (United States)

    Wang, Guangjie; Jin, Feng; Dai, Nan; Zhong, Zhaoyang; Qing, Yi; Li, Mengxia; Yuan, Ruo; Wang, Dong

    2012-03-01

    A new metal-organic nanocomposite with synergistic catalysis function was prepared and developed to construct an electrochemiluminescence (ECL) immunosensor for ultrasensitive detection of tumor biomarker CA125. Silver nanoparticles (AgNPs) and nicotinamide adenine dinucleotide hydride (NADH) that can participate and catalyze the ECL reaction of Ru(bpy)(3)(2+) were employed as the metal component and the organic component to synthesize the metal-organic nanocomposite of NADH-AgNPs (NA). The novel ECL immunosensor was assembled via Ru(bpy)(3)(2+)-doped silica nanoparticles (Ru-SiO(2)) modified electrode with the NA as immune labels. First, the chitosan-suspended Ru-SiO(2) nanoparticles were cast on the gold electrode surface to immobilize the ECL probes of Ru(bpy)(3)(2+) and link gold nanoparticles. Then, the primary antibodies were loaded onto the modified electrode via the gold sulfhydryl covalent binding. After immunobinding the analytes of antigen, NA-attached secondary antibodies could be captured as a sandwich type on the electrode. Finally, based on the circularly synergistic catalysis by the silver and NADH for the solid-phase ECL of Ru(bpy)(3)(2+), the proposed immunosensor sensed the concentration of antigen. The synergistic ECL catalysis of metal-organic nanocomposite amplified response signal and pushed the detection limit down to 0.03 U ml(-1), which initiated a new ECL labeling field and has great significance for ECL immunoassays. Copyright © 2012 Elsevier Inc. All rights reserved.

  6. Effect of pressure on structural, elastic and mechanical properties of transition metal hydrides Mg7TMH16 (TM = Sc, Ti, V, Y, Zr and Nb): First-principles investigation

    Science.gov (United States)

    Benyelloul, Kamel; Seddik, Larbi; Bouhadda, Youcef; Bououdina, Mohamed; Aourag, Hafid; Khodja, Khadidja

    2017-12-01

    The effect of pressure on structural stability, elastic properties and Debye temperature of face centered cubic Mg7TMH16 (TM = Sc, Ti, V, Y, Zr and Nb) hydrides, was investigated by first-principles calculations based on density functional theory (DFT) with the generalized gradient approximation (GGA). The obtained equilibrium lattice parameters and elastic properties at zero pressure for MgH2 and Mg7TMH16 hydrides, are in good agreement with other experimental and theoretical values. The calculations of the bulk modulus and the ductility factors (B/G) show that mixing (MgH2) with small amount of transition metal (TM = Sc, Ti, V, Y, Zr and Nb) can enhance the resistance to volume change and transform it from a brittle to a ductile material (brittle → ductile). The elastic constants, bulk modulus, shear modulus, Young's modulus, anisotropy factor and hardness have been studied under pressure. These mechanical quantities are found to increase with increasing pressure. While the B/G and Poisson's ratios (v) undergo an inverse behaviour. In addition to that, the studied hydrides are found stable with a ductile behaviour under a pressure between 0 and 20 GPa. Furthermore, the effect of pressure on Debye temperature and sound velocity, was also investigated and discussed.

  7. Thermodynamic System Studies for a Natural Gas Combined Cycle (NGCC) Plant with CO2 Capture and Hydrogen Storage with Metal Hydrides

    OpenAIRE

    Thallam Thattai, A.; Wittebrood, B.J.; Woudstra, T.; Geerlings, J.J.C.; Aravind, P.V.

    2014-01-01

    Flexibility in natural gas combined cycle power plants (NGCC) with pre-combustion CO2 capture could be introduced with co-production of hydrogen and subsequent hydrogen storage with metal hydrides (MH). The current work presents a thermodynamic analysis and comparison between steady state ASPEN Plus models of a reference case NGCC plant with no capture and H2 storage, an NGCC plant with pre-combustion capture using gas heated - auto thermal reformer (GHR-ATR) combined with a sorption enhanced...

  8. Thermochemical Energy Storage through De/Hydrogenation of Organic Liquids: Reactions of Organic Liquids on Metal Hydrides.

    Science.gov (United States)

    Ulmer, Ulrich; Cholewa, Martin; Diemant, Thomas; Bonatto Minella, Christian; Dittmeyer, Roland; Behm, R Jürgen; Fichtner, Maximilian

    2016-06-08

    A study of the reactions of liquid acetone and toluene on transition metal hydrides, which can be used in thermal energy or hydrogen storage applications, is presented. Hydrogen is confined in TiFe, Ti0.95Zr0.05Mn1.49V0.45Fe0.06 ("Hydralloy C5"), and V40Fe8Ti26Cr26 after contact with acetone. Toluene passivates V40Fe8Ti26Cr26 completely for hydrogen desorption while TiFe is only mildly deactivated and desorption is not blocked at all in the case of Hydralloy C5. LaNi5 is inert toward both organic liquids. Gas chromatography (GC) investigations reveal that CO, propane, and propene are formed during hydrogen desorption from V40Fe8Ti26Cr26 in liquid acetone, and methylcyclohexane is formed in the case of liquid toluene. These reactions do not occur if dehydrogenated samples are used, which indicates an enhanced surface reactivity during hydrogen desorption. Significant amounts of carbon-containing species are detected at the surface and subsurface of acetone- and toluene-treated V40Fe8Ti26Cr26 by X-ray photoelectron spectroscopy (XPS). The modification of the surface and subsurface chemistry and the resulting blocking of catalytic sites is believed to be responsible for the containment of hydrogen in the bulk. The surface passivation reactions occur only during hydrogen desorption of the samples.

  9. 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.

  10. 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.

  11. Synergic catalytic effect of Ti hydride and Nb nanoparticles for improving hydrogenation and dehydrogenation kinetics of Mg-based nanocomposite

    Directory of Open Access Journals (Sweden)

    Xiujuan Ma

    2017-02-01

    Full Text Available The Mg-9.3 wt% (TiH1.971-TiH−0.7 wt% Nb nanocomposite has been synthesized by hydrogen plasma-metal reaction (HPMR approach to enhance the hydrogen sorption kinetics of Mg at moderate temperatures by providing nanosizing effect of increasing H “diffusion channels” and adding transition metallic catalysts. The Mg nanoparticles (NPs were in hexagonal shape range from 50 to 350 nm and the average size of the NPs was 177 nm. The small spherical TiH1.971, TiH and Nb NPs of about 25 nm uniformly decorated on the surface of the big Mg NPs. The Mg-TiH1.971-TiH-Nb nanocomposite could quickly absorb 5.6 wt% H2 within 5 min at 573 K and 4.5 wt% H2 within 5 min at 523 K, whereas the pure Mg prepared by HPMR could only absorb 4 and 1.5 wt% H2 at the same temperatures. TiH1.971, TiH and Nb NPs transformed into TiH2 and NbH during hydrogenation and recovered after dehydrogenation process. The apparent activation energies of the nanocomposite for hydrogenation and dehydrogenation were 45.0 and 50.7 kJ mol−1, which are much smaller than those of pure Mg NPs, 123.8 and 127.7 kJ mol−1. The improved sorption kinetics of the Mg-based nanocomposite at moderate temperatures and the small activation energy can be interpreted by the nanostructure of Mg and the synergic catalytic effects of Ti hydrides and Nb NPs.

  12. Kinetics of hydrogen evolution from hydrides based on titanium and zirconium

    International Nuclear Information System (INIS)

    Solovetskij, Yu.I.; Chernavskij, P.A.; Lunin, V.V.

    1982-01-01

    Hydrogen evolution from intermetallide hydrides of the composition Zr-Me-H (Me=Co, Fe, Ni) has been studied. Hydrogen evolution from hydrides ZrHsub(1.98) and ZrCoHsub(2.88) is accompanied by phase transitions. On the basis of kinetics (the range 570-680 K) of hydrogen evolution for the systems ZrCosub(2)Hsub(0.20), ZrFeHsub(0.52) and ZrNiHsub(2.88) a conclusion is made on the constant character of their phase composition. For the hydrides mentioned as well as for TiHsub(1.93) kinetic dependences are presented. It is pointed out that the composition of surface and time of hydride storage make a considerable effect on kinetics of hydrogen evolution

  13. Hydrogen /Hydride/-air secondary battery

    Science.gov (United States)

    Sarradin, J.; Bronoel, G.; Percheron-Guegan, A.; Achard, J. C.

    1979-01-01

    The use of metal hydrides as negative electrodes in a hydrogen-air secondary battery seems promising. However, in an unpressurized cell, more stable hydrides that LaNi5H6 must be selected. Partial substitutions of nickel by aluminium or manganese increase the stability of hydrides. Combined with an air reversible electrode, a specific energy close to 100 Wh/kg can be expected.

  14. Hydrid Antibiotics

    Czech Academy of Sciences Publication Activity Database

    Běhal, Vladislav

    2003-01-01

    Roč. 48, č. 1 (2003), s. 17-25 ISSN 0015-5632 R&D Projects: GA ČR GA204/01/1004 Institutional research plan: CEZ:AV0Z5020903 Keywords : hydrid * antibiotics Subject RIV: EE - Microbiology, Virology Impact factor: 0.857, year: 2003

  15. Metal hydride differential scanning calorimetry as an approach to compositional determination of mixtures of hydrogen isotopologues and helium

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, David B. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Luo, Weifang [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Cai, Trevor Y. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Stewart, Kenneth D. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2015-09-26

    Gaseous mixtures of diatomic hydrogen isotopologues and helium are often encountered in the nuclear energy industry and in analytical chemistry. Compositions of stored mixtures can vary due to interactions with storage and handling materials. When tritium is present, it decays to form ions and helium-3, both of which can lead to further compositional variation. Monitoring of composition is typically achieved by mass spectrometry, a method that is bulky and energy-intensive. Mass spectrometers disperse sample material through vacuum pumps, which is especially troublesome if tritium is present. Moreover, our ultimate goal is to create a compact, fast, low-power sensor that can determine composition with minimal gas consumption and waste generation, as a complement to mass spectrometry that can be instantiated more widely. We propose calorimetry of metal hydrides as an approach to this, due to the strong isotope effect on gas absorption, and demonstrate the sensitivity of measured heat flow to atomic composition of the gas. Peak shifts are discernible when mole fractions change by at least 1%. A mass flow restriction results in a unique dependence of the measurement on helium concentration. We present a mathematical model as a first step toward prediction of the peak shapes and positions. The model includes a useful method to compute estimates of phase diagrams for palladium in the presence of arbitrary mixtures of hydrogen isotopologues. As a result, we expect that this approach can be used to deduce unknown atomic compositions from measured calorimetric data over a useful range of partial pressures of each component.

  16. 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.

  17. Synthesis and formation process of Al2CuHx: A new class of interstitial aluminum-based alloy hydride

    Directory of Open Access Journals (Sweden)

    Hiroyuki Saitoh

    2013-09-01

    Full Text Available Aluminum-based alloy hydride Al2CuHx (x ∼ 1 is synthesized by hydrogenating Al2Cu alloy using high-temperature and high-pressure hydrogen atmosphere. Al8Cu square antiprisms in Al2Cu twist around the c axis of a tetragonal unit cell by hydrogenation. The twist enlarges the interstitial spaces for accommodating hydrogen atoms which align linearly parallel to the c axis in Al2CuHx. Thermodynamic stability of Al2CuHx results from the balance of stabilization by H 1s and Al 3sp hybridization and destabilization owing to the Fermi-level lifting upon hydrogenation. The crystal and electronic structures of Al2CuHx illustrate the formation of an interstitial hydride of aluminum-based alloy.

  18. Applications of metallic hydrides technology in solar energy conversion and application, and industrial thermic wastes; Aplicacao da tecnologia dos hidretos metalicos na conversao e aproveitamento da energia solar e residuos termicos industriais

    Energy Technology Data Exchange (ETDEWEB)

    Silva, E.P. da [Universidade Estadual de Campinas, SP (Brazil). Lab. de Hidrogenio

    1990-12-31

    The conversion and utilization of solar energy and of industrial thermic wastes may be attained through innumerable types of thermic machines. This paper describes one of these machines, based on metallic hydrides technology (compounds formed by reversible chemistry reaction of certain metals with hydrogen), in which the gas is absorbed at low pressure and temperature (10 atm; 30-50 deg C) and, by means of any thermic source, it is liberated at high pressure and temperature (50-100 atm; 200-300 deg C). The cyclic operation of the process enables various uses of these machines, either in open circuits (compression and hydrogen pumping) or closed circuits (refrigeration systems or electricity generation). 13 refs., 6 figs

  19. Matrix infrared spectroscopic and computational investigation of late lanthanide metal hydride species MHx(H2)y (M = Tb-Lu, x = 1-4, y = 0-3)

    NARCIS (Netherlands)

    Wang, Xuefeng; Andrews, Lester; Infante, Ivan; Gagliardi, Laura

    2009-01-01

    Laser-ablated late lanthanide metal atoms were condensed with pure hydrogen at 4 K, and new infrared absorptions are assigned to binary metal hydrides on the basis of deuterium substitution and density functional theory frequency calculations. The dominant absorptions in the 1330-1400 cm(-1) region

  20. 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

  1. Polynomial-interpolation algorithm for van der Pauw Hall measurement in a metal hydride film

    Science.gov (United States)

    Koon, D. W.; Ares, J. R.; Leardini, F.; Fernández, J. F.; Ferrer, I. J.

    2008-10-01

    We apply a four-term polynomial-interpolation extension of the van der Pauw Hall measurement technique to a 330 nm Mg-Pd bilayer during both absorption and desorption of hydrogen at room temperature. We show that standard versions of the van der Pauw DC Hall measurement technique produce an error of over 100% due to a drifting offset signal and can lead to unphysical interpretations of the physical processes occurring in this film. The four-term technique effectively removes this source of error, even when the offset signal is drifting by an amount larger than the Hall signal in the time interval between successive measurements. This technique can be used to increase the resolution of transport studies of any material in which the resistivity is rapidly changing, particularly when the material is changing from metallic to insulating behavior.

  2. 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.

  3. Direct synthesis of catalyzed hydride compounds

    Science.gov (United States)

    Gross, Karl J.; Majzoub, Eric

    2004-09-21

    A method is disclosed for directly preparing alkali metal aluminum hydrides such as NaAlH.sub.4 and Na.sub.3 AlH.sub.6 from either the alkali metal or its hydride, and aluminum. The hydride thus prepared is doped with a small portion of a transition metal catalyst compound, such as TiCl.sub.3, TiF.sub.3, or a mixture of these materials, in order to render them reversibly hydridable. The process provides for mechanically mixing the dry reagents under an inert atmosphere followed by charging the mixed materials with high pressure hydrogen while heating the mixture to about 125.degree. C. The method is relatively simple and inexpensive and provides reversible hydride compounds which are free of the usual contamination introduced by prior art wet chemical methods.

  4. Effect of thermal decomposition kinetics on phase composition of hydrides based on zirconium

    International Nuclear Information System (INIS)

    Lunin, V.V.; Solovetskij, Yu.I.; Chernavskij, P.A.; Ryabchenko, P.V.

    1981-01-01

    Kinetics of hydrogen separation from hydrides ZrHsub(1,95), ZrNiHsub(2,88), ZrCoHsub(2,88), ZrFeHsub(0,52) and ZrCosub(2)Hsub(0,20) (approximately 500-1000 K) is studied using a revised carrying-gas technique. The curves of the time dependence of the relative rate of hydrogen evolution for hydrides ZrCoHsub(2,88) and ZrHsub(1,95) have two well expressed maxima. It is established that hydrogen evolution from ZrHsub(1,95) hydride is accompanied by two phase transformations from epsilon phase into delta-phase and from delta-phase into (#betta#+delta)-phase, a local maximum on the curve corresponding to each phase transformation. On the kinetic curve of ZrCoHsub(2,88) a phase transformation from (α+#betta# 2 )-to α-phase corresponds to one of the maxima. However, the other (the first) maximum is not accompanied by a phase transformation and evidently applears as a result of hydrogen evolution, the hydrogen differing by a weaker bond with the intermetallide crystal lattice. Activation energies of hydrogen evolution from different phases of hydrides are determined. For hydrides ZrNiHsub(2,88), ZrCosub(2)Hsub(0,20) and ZrFeHsub(0,52) within the experiment accuracy range only one maximum has been observed on the kinetic curves of hydrogen evolution. A supposition is made that the process of hydrogen evolution for these hydrides proceeds without changes in their phase composition

  5. Hydrogen dynamics in heavy alkali metal hydrides obtained through inelastic neutron scattering

    International Nuclear Information System (INIS)

    Auffermann, G; Barrera, G D; Colognesi, D; Corradi, G; Ramirez-Cuesta, A J; Zoppi, M

    2004-01-01

    Inelastic neutron scattering spectra from polycrystalline NaH, KH, RbH and CsH, measured at low temperature in the energy transfer range 3 meV< E< 500 meV, are reported. From the medium-energy regions, coinciding with the optical phonon bands, accurate hydrogen-projected densities of phonon states are extracted and compared to ab initio lattice dynamics results. The overall agreement is very good. Further lattice dynamics calculations, based on a pairwise Born-Mayer semi-empirical potential scheme, were also performed, providing only limited and qualitative agreement with the experimental data. In conclusion, incoherent inelastic neutron spectroscopy proves to be a stringent validation tool for lattice dynamics simulations of H-containing materials

  6. Rhodium complexes of a chelating ligand with imidazol-2-ylidene and pyridin-2-ylidene donors: the effect of C-metalation of nicotinamide groups on uptake of hydride ion.

    Science.gov (United States)

    McSkimming, Alex; Ball, Graham E; Bhadbhade, Mohan M; Colbran, Stephen B

    2012-02-20

    Rhodium complexes of the imidazolylidene (C-im) N-heterocyclic carbene (NHC) ligand, C-im-pyH(+), bearing a nicotinamide cation substituent (pyH(+)) have been targeted for ligand-centered uptake and delivery of hydride ion. This work reveals that rhodium(I) complexes such as [Rh(C-im-pyH(+))(COD)X][PF(6)] (1, a: X = Cl, b: X = I) undergo facile C-metalation of the nicotinamide ring to afford rhodium complexes of a novel chelate ligand, C,C'-im-py, with coordinated imidazolylidene (C(im)) and pyridylidene (C(py)) NHC-donors. Seven examples were characterized and include rhodium(III) monomers of the general formula [Rh(C,C'-im-py)L(x)I(2)](z+) (2: z = 1, L = H(2)O or solvent, x = 2; 3, 5, 7: z = 0, L = carboxylate, x = 1) and novel rhodium(II) dimers, the anti/syn-isomers of [Rh(2)(C,C'-im-py)(2)(μOAc)(2)I(2)] (4-anti/syn). The NMR data, backed by DFT calculations, is consistent with attribution of the C,C'-im-py ligand as a bis(carbene) donor. Single crystal X-ray diffraction studies are reported for 2, 3, 4-anti, 4-syn and 7. Consistently, within the each complex, the Rh-C(im) bond length is shorter than the Rh-C(py) bond length, which is the opposite trend to that expected based on simple electronic considerations. It is proposed that intramolecular steric interactions imposed by different rings in the rigid C,C'-im-py chelate ligand dictate the observed Rh-C(NHC) bond lengths. Attempts to add hydride to the C-metalated nicotinamide ring in 3 were unsuccessful. The redox behavior of 3 and 4 and, for comparison, an analogous bis(imidazolylidene)rhodium(III) monomer (8), were characterized by cyclic voltammetry, electron paramagnetic resonance (EPR), and UV-vis spectroelectrochemistry. In 3 and 4, the C-metalated nicotinamide ring is found to exhibit a one-electron reduction process at far lower potential (-2.34 V vs. Fc(+)/Fc in acetonitrile) than the two-electron nicotinamide cation-dihydronicotinamide couple found for the corresponding nonmetalated ring (-1.24 V

  7. Performance analysis of cylindrical metal hydride beds with various heat exchange options

    Energy Technology Data Exchange (ETDEWEB)

    Satya Sekhar, B. [HySA Systems Competence Centre, South African Institute for Advanced Materials Chemistry, Faculty of Natural Sciences, University of the Western Cape, Private Bag X17, Bellville 7535 (South Africa); Lototskyy, M., E-mail: mlototskyy@uwc.ac.za [HySA Systems Competence Centre, South African Institute for Advanced Materials Chemistry, Faculty of Natural Sciences, University of the Western Cape, Private Bag X17, Bellville 7535 (South Africa); Kolesnikov, A.; Moropeng, M.L. [Department of Chemical and Metallurgical Engineering, Faculty of Engineering and the Built Environment, Tshwane University of Technology, Private Bag X680, Pretoria 0001 (South Africa); Tarasov, B.P. [Laboratory of Hydrogen Storage Materials, Institute of Problems of Chemical Physics, Russian Academy of Sciences, Prospect Semenova, 1, Chernogolovka 142432 (Russian Federation); Pollet, B.G. [HySA Systems Competence Centre, South African Institute for Advanced Materials Chemistry, Faculty of Natural Sciences, University of the Western Cape, Private Bag X17, Bellville 7535 (South Africa)

    2015-10-05

    Highlights: • 3D numerical model for the comparison of H{sub 2} uptake performances in MH reactors. • 4 options of heat exchange between heat transfer fluid and MH in cylindrical reactor compared. • Straight tube internal heat exchanger. • Helical coil internal heat exchanger. • External heat exchange without and with transversal fins in the MH reactor. - Abstract: A 3D numerical heat-and-mass transfer model was used for the comparison of H{sub 2} uptake performances of powdered cylindrical MH beds comprising MmNi{sub 4.6}Al{sub 0.4} hydrogen storage material. The considered options of heat exchange between the MH and a heat transfer fluid included internal cooling using straight (I) or helically coiled (II) tubing, as well as external cooling of the MH bed without (III) and with (IV) transversal fins. The dynamic performances of these layouts were compared based on the numerical simulation. The effect of heat transfer coefficient was also analysed.

  8. Boron Hydrides

    Science.gov (United States)

    1946-07-01

    of direct interest could be b.P.4d. ’Thus the discovory of a now proj.ect, since silano is probably too readily infla-zmablo for practical usc’ this...devoted, ho specc4fie compounds vhitih a’-ould be tocdte at prescnt arc: nron tiy * silano , %;2.SiFi3 , diothyl sila~no, (C2 115 )2 Si112, mono r.-rop; ! (n...Bcrohydrido or Li h.... I .A-4A- The prepuation of Silano med of Stannane by the interaction or lithium aluzirun hydride v-ithl silicon tetrtchiorido and

  9. A comparative study of ''In-Out'' and ''Out-In'' hydrogen reaction alternatives for metal hydride beds using RET 1 computer code

    Energy Technology Data Exchange (ETDEWEB)

    El-Osery, I.A.

    1984-01-01

    The paper presents the results of a comparative study of two alternatives for progress for hydrogen reaction in metal hydride hydrogen storage beds; namely ''In-Out'' and ''Out-In'' through the application of a space-time dependent computer code ''RET 1'' for the solution of the associated mass and heat transfer problem. The reference model for the metal hydride storage bed is considered of cylindrical shape and composed of a multiple of a cylindrical cell, that either consists of a coaxial fluid tube surrounded by the granular iron-titanium metal hydride; called ''In-Out'' cell; or consists of a coaxial rod of the granular iron-titanium metal hydride surrounded by an annular fluid tube; called ''Out-In'' cell. The results of the study lead to the conclusion that for the same operating and physical conditions, the rate of hydrogen reaction in the ''Out-In'' cell is many times higher than that in the ''In-Out'' one.

  10. C(sp₃)-H bond activation with triel metals: indium and gallium zwitterions through internal hydride abstraction in rigid salan ligands.

    Science.gov (United States)

    Maudoux, Nicolas; Fang, Jian; Roisnel, Thierry; Dorcet, Vincent; Maron, Laurent; Carpentier, Jean-François; Sarazin, Yann

    2014-06-16

    The hydropyrimidine salan (salan=N,N'-dimethyl-N,N'-bis[(2-hydroxyphenyl)methylene]-1,2-diaminoethane) proteo-ligands with a rigid backbone {ON^(CH2)^NO}H2 react with M(CH2SiMe3)3 (M=Ga, In) to yield the zwitterions {ON^(CH(+))^NO}M(-)(CH2SiMe3)2 (M=Ga, 2; In, 3) by abstraction of a hydride from the ligand backbone followed by elimination of dihydrogen. By contrast, with Al2Me6, the neutral-at-metal bimetallic complex [{ON^(CH2)^NO}AlMe]2 ([1]2) is obtained quantitatively. The formation of indium zwitterions is also observed with sterically more encumbered ligands containing o-Me substituents on the phenolic rings, or an N (CHPh) N moiety in the heterocyclic core. Overall, the ease of C(sp3)-H bond activation follows the order Al≪Gahydride species. DFT calculations indicate that the systems {ON^(CH2)^NO}H2+M(CH2SiMe3)3 (M=Al, Ga, In) all initially lead to the formation of the neutral monophenolate dihydrocarbyl species through a single protonolysis. From here, the thermodynamic product, the model neutral-at-metal complex 1, is formed in the case of aluminum after a second protonolysis. On the other hand, lower activation energy pathways lead to the generation of zwitterionic complexes 2 and 3 in the cases of gallium and indium, and the formation of these zwitterions obeys a strict kinetic control; the computations suggest that, as inferred from the experimental data, the reaction proceeds through an instable metal-hydride species, which could not be isolated synthetically. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. The effect of compositional changes on the structural and hydrogen storage properties of (La–Ce)Ni{sub 5} type intermetallics towards compounds suitable for metal hydride hydrogen compression

    Energy Technology Data Exchange (ETDEWEB)

    Odysseos, M., E-mail: marios.odysseos@grenoble.cnrs.fr [Hystore Technologies Ltd., 30, Spyrou Kyprianou, 2643 Ergates, Nicosia-Cyprus (France); De Rango, P. [Institut NEEL and CRETA, CNRS, BP 166, 38042 Grenoble Cedex (France); Christodoulou, C.N. [Hystore Technologies Ltd., 30, Spyrou Kyprianou, 2643 Ergates, Nicosia-Cyprus (France); Hlil, E.K. [Institut NEEL and CRETA, CNRS, BP 166, 38042 Grenoble Cedex (France); Steriotis, T. [National Center for Scientific Research “Demokritos”, 15310 Agia Paraskevi Attikis, Athens (Greece); Karagiorgis, G. [Hystore Technologies Ltd., 30, Spyrou Kyprianou, 2643 Ergates, Nicosia-Cyprus (France); Charalambopoulou, G. [National Center for Scientific Research “Demokritos”, 15310 Agia Paraskevi Attikis, Athens (Greece); Papapanagiotou, T. [Hystore Technologies Ltd., 30, Spyrou Kyprianou, 2643 Ergates, Nicosia-Cyprus (France); Ampoumogli, A.; Psycharis, V. [National Center for Scientific Research “Demokritos”, 15310 Agia Paraskevi Attikis, Athens (Greece); Koultoukis, E. [McPhy Energy S.A., Z.A. Quartier Rietiere, 26190 La Motte-Fanjas (France); Fruchart, D. [Institut NEEL and CRETA, CNRS, BP 166, 38042 Grenoble Cedex (France); Stubos, A. [National Center for Scientific Research “Demokritos”, 15310 Agia Paraskevi Attikis, Athens (Greece)

    2013-12-15

    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{sub 1−x}Ce{sub x}Ni{sub 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{sub 2} gas from 0.2 MPa to 4.2 MPa using cold (20 °C) and hot (80 °C) water.

  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. Free radical route to formation of the metal hydride complex hydridoaquobis(2,2'-bipyridine)cobalt(III)

    International Nuclear Information System (INIS)

    Creutz, C.; Schwarz, H.A.; Sutin, N.

    1984-01-01

    The formation of Co(bpy) 2 (H 2 O)H 2+ (bpy = 2,2'-bipyridine) for high spin d 8 Co(I)bipyridine complexes in aqueous solutions is reported. The cobalt(I) bipyridine complexes were produced by the pulse radiolysis of aqueous CoSO 4 -2,2'-bipyridine mixtures. No reaction pathway attributable to a proton transfer in the complex formation was detected, and it is concluded that the hydride is formed entirely through reactions of Co(II) complexes and (bpy)H radicals

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

    CERN Document Server

    Chau, K T; 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.

  16. Theory of the computer code RET 1 for the calculation of space-time dependent temperature and composition properties of metal hydride hydrogen storage beds

    Energy Technology Data Exchange (ETDEWEB)

    El Osery, I.A.

    1983-01-01

    The work presented is a part of an extensive hydrogen energy research program conducted by the Inshas Nuclear Research Center (Egypt). The physical and mathematical modelling of the metal hydride hydrogen storage beds considered in the RET 1 computer code is described. A cylindrical conduction bed model is used. Two alternatives are considered for heat exchange: either fluid is passing through tubes surrounded by solid alloy, or solid alloy rods surrounded by annular fluid tubes. The numerical solution of the associated mass and heat transfer problem is discussed. In this solution, implicit finite difference approximations derived by Taylor expansions are applied. Some of the numerical results obtained by the RET 1 computer code are interpreted. (12 refs., 4 tabs., 3 figs.)

  17. Demonstration of a metal hydride storage system in a hydrogen-fuelled snow-cat; Demonstration eines Metallhybrid Speichers in einem mit Wasserstoff angetriebenen Pistenfahrzeug - Schlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Zuettel, A.

    2004-07-01

    This illustrated final report for the Swiss Federal Office of Energy (SFOE) presents the results of a project that developed and tested a metal-hydride storage system that was tested in a snow-cat. The storage unit that was developed at the University of Fribourg, Switzerland, consists of three series-connected modules, each with 25 litres capacity. A total of 7 kg of hydrogen can be stored, with which the vehicle can be driven for 1 to 1.5 hours. The functioning of the storage unit is described in detail, as is the operation of the hydrogen-fuelled engine of the vehicle. Similar storage units tested on a light-weight road-vehicle and a motorboat are mentioned.

  18. Mixed quantum-classical simulation of the hydride transfer reaction catalyzed by dihydrofolate reductase based on a mapped system-harmonic bath model

    Science.gov (United States)

    Xu, Yang; Song, Kai; Shi, Qiang

    2018-03-01

    The hydride transfer reaction catalyzed by dihydrofolate reductase is studied using a recently developed mixed quantum-classical method to investigate the nuclear quantum effects on the reaction. Molecular dynamics simulation is first performed based on a two-state empirical valence bond potential to map the atomistic model to an effective double-well potential coupled to a harmonic bath. In the mixed quantum-classical simulation, the hydride degree of freedom is quantized, and the effective harmonic oscillator modes are treated classically. It is shown that the hydride transfer reaction rate using the mapped effective double-well/harmonic-bath model is dominated by the contribution from the ground vibrational state. Further comparison with the adiabatic reaction rate constant based on the Kramers theory confirms that the reaction is primarily vibrationally adiabatic, which agrees well with the high transmission coefficients found in previous theoretical studies. The calculated kinetic isotope effect is also consistent with the experimental and recent theoretical results.

  19. 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...

  20. Reaction Kinetics with Hydrogen and Temperature Dependence of the Hydriding Rate for a Magnesium-Based Nickel Iron Oxide Alloy

    International Nuclear Information System (INIS)

    Song, Myoung Youp; Baek, Sung Hwan; Park, Hye Ryoung

    2012-01-01

    A 71.5 wt%Mg-23.5 wt%Ni-5 wt%Fe 2 O 3 (Mg-23.5Ni-5Fe 2 O 3 ) sample was prepared by a quite simple process, reactive mechanical grinding, and its hydriding and dehydriding properties were then investigated. The reactive mechanical grinding of Mg with Ni and Fe 2 O 3 is considered to facilitate nucleation and shorten the diffusion distances of the hydrogen atoms. After the hydriding-dehydriding cycling, the Mg-23.5Ni-5Fe 2 O 3 sample contained Mg 2 Ni phase. Expansion and contraction of the hydride-forming materials (Mg and Mg 2 Ni) with the hydriding and dehydriding reactions are also considered to increase the hydriding and dehydriding rates of the mixture by forming defects and cracks leading to the fragmentation of the particles. The temperature dependence of the hydriding rate of the sample is discussed.

  1. 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

  2. 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.

  3. First Evidence of Rh Nano-Hydride Formation at Low Pressure.

    Science.gov (United States)

    Zlotea, Claudia; Oumellal, Yassine; Msakni, Mariem; Bourgon, Julie; Bastide, Stéphane; Cachet-Vivier, Christine; Latroche, Michel

    2015-07-08

    Rh-based nanoparticles supported on a porous carbon host were prepared with tunable average sizes ranging from 1.3 to 3.0 nm. Depending on the vacuum or hydrogen environment during thermal treatment, either Rh metal or hydride is formed at nanoscale, respectively. In contrast to bulk Rh that can form a hydride phase under 4 GPa pressure, the metallic Rh nanoparticles (∼2.3 nm) absorb hydrogen and form a hydride phase at pressure below 0.1 MPa, as evidenced by the presence of a plateau pressure in the pressure-composition isotherm curves at room temperature. Larger metal nanoparticles (∼3.0 nm) form only a solid solution with hydrogen under similar conditions. This suggests a nanoscale effect that drastically changes the Rh-H thermodynamics. The nanosized Rh hydride phase is stable at room temperature and only desorbs hydrogen above 175 °C. Within the present hydride particle size range (1.3-2.3 nm), the hydrogen desorption is size-dependent, as proven by different thermal analysis techniques.

  4. 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.

  5. Refractory metal based superalloys

    International Nuclear Information System (INIS)

    Alonso, Paula R.; Vicente, Eduardo E.; Rubiolo, Gerardo H.

    1999-01-01

    Refractory metals are looked as promising materials for primary circuits in fission reactors and even as fusion reactor components. Indeed, superalloys could be developed which take advantage of their high temperature properties together with the benefits of a two- phase (intermetallic compound-refractory metal matrix) coherent structure. In 1993, researchers of the Office National d'Etudes et de Recherches Aerospatiales of France reported the observation of such a coherent structure in the Ta-Ti-Zr-Al-Nb-Mo system although the exact composition is not reported. The intermetallic compound would be Ti 2 AlMo based. However, the formation of this compound and its possible coexistence with a disordered bcc phase in the ternary system Ti-Al-Mo is a controversial subject in the related literature. In this work we develop a technique to obtain homogeneous alloys samples with 50 Ti-25 Al-25 Mo composition. The resulting specimens were characterized by optical and electronic metallography (SEM), microprobe composition measurements (EPMA) and X-ray diffraction (XRD) analyses. The results show the evidence for a bcc (A2→B2) ordering reaction in the Ti-Al-Mo system in the 50 Ti-25 Al-25 Mo composition. (author)

  6. 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.

  7. Comparison of Hydrogen Elimination from Molecular Zinc and Magnesium Hydride Clusters

    NARCIS (Netherlands)

    Intemann, J.; Sirsch, Peter; Harder, Sjoerd

    2014-01-01

    In analogy to the previously reported tetranuclear magnesium hydride cluster with a bridged dianionic bis-beta-diketiminate ligand, a related zinc hydride cluster has been prepared. The crystal structures of these magnesium and zinc hydride complexes are similar: the metal atoms are situated at the

  8. 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

  9. 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)

  10. 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.

  11. Determination of a massive zirconium hydride production cycle

    International Nuclear Information System (INIS)

    Loche, J.-P.

    1979-06-01

    This note includes: a bibliographical study on the physical, chemical and metallurgical properties of zirconium and its hydride, a brief review of the different methods of zirconium hydride conditioning and a more detailed study of the conditioning process by massive hydride formation. A systematic study was devoted to the thermal method of hydrogen incorporation with a view to obtaining articles of homogeneous composition and of hydrogen concentration as close as possible to the formula ZrH 2 . This was achieved by original tests designed to measure the plasticity of the metal or of its hydride during the process. The hydride formation cycle considered optimum is described for an initial metal of carefully selected chemical and metallurgical properties [fr

  12. Hydrogen vibrations in nickel hydride

    International Nuclear Information System (INIS)

    Eckert, J.; Daniels, W.B.; Kitchens, T.A.; Majkrzak, C.F.; Passell, L.

    1983-01-01

    This chapter examines nickel hydride which was prepared in a BeCu high pressure cell at room temperature by applying a hydrogen gas pressure of 7kbar to pellets pressed from fine nickel powder. It explains that the rate and degree of completion of the hydride formation was first checked by neutron diffraction using deuterium gas with the result that a deuterium to metal ratio of approximately 0.75 was reached. It points out that after desorption of the deuterium, the nickel sample was charged with hydrogen for the inelastic incoherent neutron scattering measurements. The chapter notes that measurements were performed with the Be filter technique at the Brookhaven High Flux Beam Reactor, and finds that the optic modes appear as a broad band in the phonon density of states from about 70 to 110 MeV with peaks at approximately 88 and 108 MeV. It finally discusses the effect of hydride formation on the acoustic phonon density of states

  13. Facile preparation of an immobilized surfactant-free palladium nanocatalyst for metal hydride trapping: a novel sensing platform for TXRF analysis

    Science.gov (United States)

    Romero, V.; Costas-Mora, I.; Lavilla, I.; Bendicho, C.

    2015-01-01

    In this work, a simple route for the synthesis of surfactant-free immobilized palladium nanoparticles (Pd NPs) and their use as effective nanocatalysts for metal hydride decomposition is described. A mixture of ethanol : water was used as the reducing agent. Ethanol was added in a large excess to reduce the ionic Pd and stabilize the obtained Pd NPs. Ethanol is adsorbed on the surface of Pd allowing steric stabilization. Freshly prepared Pd NPs were immobilized onto quartz substrates modified with 3-mercaptopropyltrimethoxysilane. Pd interacts with the thiol group of the alkoxysilane that is adsorbed on the surface of NPs without the dissociation of the S-H bond. Different parameters affecting the synthesis of Pd NPs and their immobilization onto quartz substrates were evaluated. A comprehensive characterization of the synthesized Pd NPs was carried out by transmission electron microscopy (TEM), whereas total reflection X-ray fluorescence (TXRF) spectrometry was applied in order to evaluate their catalytic activity for solid-gas reactions. Immobilized Pd NPs were applied as nanocatalysts for the dissociative chemisorption of arsine at room temperature, yielding the formation of As-Pd bonds. Quartz substrates coated with nanosized Pd could be used as novel sensing platforms for total reflection X-ray fluorescence analysis. Arsenic can be detected in situ in natural water with a limit of detection of 0.08 μg L-1.In this work, a simple route for the synthesis of surfactant-free immobilized palladium nanoparticles (Pd NPs) and their use as effective nanocatalysts for metal hydride decomposition is described. A mixture of ethanol : water was used as the reducing agent. Ethanol was added in a large excess to reduce the ionic Pd and stabilize the obtained Pd NPs. Ethanol is adsorbed on the surface of Pd allowing steric stabilization. Freshly prepared Pd NPs were immobilized onto quartz substrates modified with 3-mercaptopropyltrimethoxysilane. Pd interacts with the thiol

  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. 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)

  16. Electrochemical properties of hypo-stoichiometric Y-doped AB{sub 2} metal hydride alloys at ultra-low temperature

    Energy Technology Data Exchange (ETDEWEB)

    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); 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); Nei, J.; Reichman, B. [BASF/Battery Materials-Ovonic, 2983 Waterview Drive, Rochester Hills, MI 48309 (United States)

    2015-09-15

    Highlights: • By altering the stoichiometry, the abundance of secondary phases can be engineered. • While TiNi is beneficial, YNi is detrimental to low temperature performance. • By increasing TiNi to YNi ratio, the −40 °C low temperature performance is improved. • Y element has a limited solubility in AB{sub 2} Laves phase. - Abstract: The structure, gaseous phase, and electrochemical hydrogen storage properties of two series of Y-doped AB{sub 2} metal hydride alloys were compared. While the stoichiometry (B/A ratio) of the average alloy composition of the first series is maintained at 1.99 (Ti{sub 12}Zr{sub 21.5}V{sub 10}Cr{sub 7.5}Mn{sub 8.1}Co{sub 8.0−x}Ni{sub 32.2}Y{sub x}Sn{sub 0.3}Al{sub 0.4}), those in the second series decrease from 1.99 to 1.83 ((TiZr)(VCrMnNiSnAl){sub 1.75}Co{sub 0.24−3x}Y{sub x}). Since the solubility of Y in the main phase (C14) is limited (0.1–0.2 at.%), the influences of Y are through the changes in the composition and abundance of the main and secondary phases. While TiNi phase is considered beneficial to activation, surface reaction area, and surface charge-transfer, YNi phase is on the contrary. By adjusting the stoichiometry, we were able to increase the TiNi-to-YNi ratio and lower the −40 °C charge-transfer resistance by increasing the surface reaction area while maintaining the same surface catalytic ability. The lowest −40 °C charge-transfer resistance was obtained through an AB{sub 2} alloy with 0.4 at.% Y and a B/A ratio of 1.93. Further improvement in the ultra-low temperature performance of the AB{sub 1.93} alloy is expected by combining the current result with other modifiers, such as Si, to improve the surface catalytic ability.

  17. 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

  18. 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.

  19. 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)

  20. Ce-valence state and hydrogen-induced volume effects in Ce-based intermetallic compounds and their hydrides

    International Nuclear Information System (INIS)

    Stange, M.; Paul-Boncour, V.; Latroche, M.; Percheron-Guegan, A.; Isnard, O.; Yartys, V.A.

    2005-01-01

    An average Ce-valence state (v) of two types of Ce-containing intermetallic compounds, equiatomic CeNiX (X= Al, Ga, Sn) and CeM 3 (M= Ni, Co, Mn), and their hydrides was estimated from X-ray absorption spectroscopy (XAS) and analysed in parallel with hydrogen-induced volume changes on hydrogenation. The largest valence states in the initial compounds were found in CeM 3(v=3.32-3.36) followed by CeNiAl 1-x Ga x (v=3.25-3.27). This contrasts to CeNiSn, which is close to a pure trivalent state (v=3.07). On hydrogenation, a conversion from mixed-valent CeNiAl 1-x Ga x , x=0.5, 1, to pure Ce III hydrides takes place (ΔV /V=19.6-20.0 %). In CeNiSnD z (z=1, 1.8, ΔV/V=3.0, 8.0%) the changes in the valence state towards Ce III are very small. The situation for the CeM 3 -hydrides is complex. For CeNi 3 D 2.8 , CeNi 2.75 Mn 0.25 D 3.4 and CeCo 3 D 3.4 (ΔV /V=24-32%) where rather similar electronic properties can be expected, a decrease in the contribution of Ce IV for CeNi 3 D 3 and CeNi 2.75 Mn 0.25 D 3.4 (v=3.18 and 3.12, respectively) contrasts to the behaviour of CeCo 3 D 3.4 where the hydrogen induced valence change is very small (v=3.32)

  1. Analysis of the hydridation dynamics of metals by gaseous impedance spectroscopy. Application to electrolytic hydrogen storage; Analyse de la dynamique d'hydruration des metaux par spectroscopie d'impedance gazeuse. Application au stockage de l'hydrogene electrolytique

    Energy Technology Data Exchange (ETDEWEB)

    Millet, P. [Paris-11 Univ., Institut de Chimie Moleculaire et des Materiaux, UMR CNRS 8182, 91 - Orsay (France); Guymont, M.; Korobtsev, S. [Institut of Russian Research Center, Hydrogen Energy and Plasma Technology, Kurchatov Institute, Moscow (Russian Federation)

    2007-07-01

    In this work, the hydridation dynamics in presence of impurities is analyzed by pneumato-chemical impedance spectroscopy. The measurements are carried out with a Sieverts volumetric frame. The obtention conditions of the experimental impedances are discussed in relation with the thermodynamic states of the metal-H studied systems. A software of specific modelling has been developed: with this software, it is possible to calculate the experimental impedances and, from model equations, to accede to the microscopic kinetic parameters bound to the hydridation reactions. The results obtained on different materials, in presence of oxygen, are presented and analyzed. (O.M.)

  2. Bandstructure calculations for metal hydrogen systems

    International Nuclear Information System (INIS)

    Switendick, A.C.

    1979-01-01

    The factors contributing to hydride stability are discussed for a variety of metal hydride systems. The formation of a low-lying hydrogen associated state is a common feature. A significant transition metal character is also found in these states

  3. Bonding of xenon hydrides

    NARCIS (Netherlands)

    Perez-Peralta, N.; Juarez, R.; Cerpa, E.; Bickelhaupt, F.M.; Merino, G.

    2009-01-01

    We have computed the structure and stability of the xenon hydrides HXeY (with Y = F, Cl, Br, I, CCH, CN, NC) using relativistic density functional theory (DFT) at ZORA-BP86/TZ2P level. All model systems HXeY studied here are bound equilibrium structures, but they are also significantly destabilized

  4. Multi-scale characterization of nanostructured sodium aluminum hydride

    Science.gov (United States)

    NaraseGowda, Shathabish

    instruments were utilized for this work and their data collection and analysis are reported. Quasielastic neutron scattering experiments were conducted at NIST Center for Neutron Research to characterize atomic hydrogen diffusion in bulk and nano-confined NaAlH4. It was observed that upon confinement of NaAlH4, a significantly higher fraction of hydrogen atoms were involved in diffusive motion on the pico-second to nano-second timescales. However, the confinement had no impact on the lattice diffusivities (jump/hopping rates) of atomic hydrogen, indicating that the improved hydrogen release rates were not due to any kinetic destabilization effects. Instead, the investigation strongly suggested thermodynamic destabilization as the major effect of nano-confinement. The local interaction of the metal sites in metal organic frameworks with the infiltrated hydride was studied using extended x-ray absorption spectroscopy technique. The experiments were conducted at Center for Advanced Microstructures and Devices at Louisiana State University. The metal sites were found to be chemically un-altered, hence ruling out any catalytic role in the dehydrogenation at room temperatures. The fractal morphology of NaAlH4 was characterized by ultra-small angle x-ray scattering experiments performed at Argonne National Lab. The studies quantitatively estimated the extent of densification in the course of one desorption cycle. The particle sizes were found to increase two-fold during heat treatment. Also, the nano-confinement procedure was shown to produce dense mass fractals as opposed to pristine NaAlH4, exhibiting a surface fractal morphology. Based on this finding, a new method to identify confined material from un-confined material in nano-composites was developed and is presented. Preliminary results of modeling and correlating multi-scale phenomena using a phase-field approach are also presented as the foundation for future work.

  5. The Effects of Nanostructure on the Hydrogen Sorption Properties of Magnesium-Based Metallic Compounds: A Review

    Directory of Open Access Journals (Sweden)

    Luca Pasquini

    2018-02-01

    Full Text Available In this review, I examine the influence of nanoscale materials features on the hydrogen-metal interaction. The small system size, the abundance of surfaces/interfaces, and the spatial distribution of phases are the key factors to understand the hydrogen sorption properties of nanomaterials. In order to describe nanoscale-specific thermodynamic changes, I present a quantitative model applicable to every hydride-forming material, independently on its composition and atomic structure. The effects of surface free energy, interface free energy, and elastic constraint, are included in a general expression for the thermodynamical bias. In the frame of this model, I critically survey theoretical and experimental results hinting at possible changes of thermodynamic parameters, and in particular, enthalpy and entropy of hydride formation, in nanostructured Mg-based metallic compounds as compared to their coarse-grained bulk counterparts. I discuss the still open controversies, such as destabilization of ultra-small clusters and enthalpy–entropy compensation. I also highlight the frequently missed points in experiments and data interpretation, such as the importance of recording full hydrogen absorption and desorption isotherms and of measuring the hysteresis. Finally, I try to address the open questions that may inspire future research, with the ambition of tailoring the properties of hydride nanomaterials through a deeper understanding of their thermodynamics.

  6. Solid hydrides as hydrogen storage reservoirs; Hidruros solidos como acumuladores de hidrogeno

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez, A.; Sanchez, C.; Friedrichs, O.; Ares, J. R.; Leardini, F.; Bodega, J.; Fernandez, J. F.

    2010-07-01

    Metal hydrides as hydrogen storage materials are briefly reviewed in this paper. Fundamental properties of metal-hydrogen (gas) system such as Pressure-Composition-Temperature (P-C-T) characteristics are discussed on the light of the metal-hydride thermodynamics. Attention is specially paid to light metal hydrides which might have application in the car and transport sector. The pros and cons of MgH{sub 2} as a light material are outlined. Researches in course oriented to improve the behaviour of MgH{sub 2} are presented. Finally, other very promising alternative materials such as Al compounds (alanates) or borohydrides as light hydrogen accumulators are also considered. (Author)

  7. Amorphous metal based nanoelectromechanical switch

    KAUST Repository

    Mayet, Abdulilah M.

    2013-04-01

    Nanoelectromechanical (NEM) switch is an interesting ultra-low power option which can operate in the harsh environment and can be a complementary element in complex digital circuitry. Although significant advancement is happening in this field, report on ultra-low voltage (pull-in) switch which offers high switching speed and area efficiency is yet to be made. One key challenge to achieve such characteristics is to fabricate nano-scale switches with amorphous metal so the shape and dimensional integrity are maintained to achieve the desired performance. Therefore, we report a tungsten alloy based amorphous metal with fabrication process development of laterally actuated dual gated NEM switches with 100 nm width and 200 nm air-gap to result in <5 volts of actuation voltage (Vpull-in). © 2013 IEEE.

  8. 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)

  9. 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

  10. Silica hydride based phases for small molecule separations using automated liquid chromatography-mass spectrometry method development.

    Science.gov (United States)

    Appulage, Dananjaya K; Schug, Kevin A

    2017-07-21

    Silica hydride, or Type C silica, has been developed as an alternative chromatographic support material for liquid chromatography. There are various bonded phases available with this new support. For four such phases (Cholesterol, Bidentate C18, Diamond Hydride, and Diol), retention and selectivity behavior were investigated using liquid chromatography coupled with triple quadrupole mass spectrometry. A set of small molecules from several chemical classes of interest, and varying in their physicochemical properties, were chromatographed under both reversed-phase and aqueous normal phase modes. To screen the columns, column switching was performed using an automated platform controlled by associated software and an additional valve. A typical scouting gradient was implemented. The separation conditions were not further optimized since the goal was simply to evaluate the variable retention behavior of the phases and selectivity under generic conditions. Further, retention of the analytes were evaluated under isocratic conditions with varying percentages of organic phase to visualize the potential for dual retention modes on the same column for certain analytes. Four analytes (fentanyl, hydrocodone, hydromorphone, and matrine) showed dual mode retention behavior with all four phases. Especially, fentanyl exhibited dramatic "U-shaped" retention profiles on Cholesterol and Bidentate C18 phases. Overall, changes in the retention order between reversed phase and aqueous normal phases emphasized the potential for altered selectivity. Results showed that the Cholesterol phase provided the highest retention for most analytes compared to the other phases. The more polar Diol phase still provided good retention in reversed phase mode. Retention and selectivity were all highly reproducible. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Effect of hydrogenation conditions on the microstructure and mechanical properties of zirconium hydride

    Science.gov (United States)

    Muta, Hiroaki; Nishikane, Ryoji; Ando, Yusuke; Matsunaga, Junji; Sakamoto, Kan; Harjo, Stefanus; Kawasaki, Takuro; Ohishi, Yuji; Kurosaki, Ken; Yamanaka, Shinsuke

    2018-03-01

    Precipitation of brittle zirconium hydrides deteriorate the fracture toughness of the fuel cladding tubes of light water reactor. Although the hydride embrittlement has been studied extensively, little is known about physical properties of the hydride due to the experimental difficulties. In the present study, to elucidate relationship between mechanical properties and microstructure, two δ-phase zirconium hydrides and one ε-phase zirconium hydride were carefully fabricated considering volume changes at the metal-to-hydride transformation. The δ-hydride that was fabricated from α-zirconium exhibits numerous inner cracks due to the large volume change. Analyses of the neutron diffraction pattern and electron backscatter diffraction (EBSD) data show that the sample displays significant stacking faults in the {111} plane and in the pseudo-layered microstructure. On the other hand, the δ-hydride sample fabricated from β-zirconium at a higher temperature displays equiaxed grains and no cracks. The strong crystal orientation dependence of mechanical properties were confirmed by indentation test and EBSD observation. The δ-hydride hydrogenated from α-zirconium displays a lower Young's modulus than that prepared from β-zirconium. The difference is attributed to stacking faults within the {111} plane, for which the Young's modulus exhibits the highest value in the perpendicular direction. The strong influence of the crystal orientation and dislocation density on the mechanical properties should be considered when evaluating hydride precipitates in nuclear fuel cladding.

  12. Depth probing of the hydride formation process in thin Pd films by combined electrochemistry and fiber optics-based in situ UV/vis spectroscopy.

    Science.gov (United States)

    Wickman, Björn; Fredriksson, Mattias; Feng, Ligang; Lindahl, Niklas; Hagberg, Johan; Langhammer, Christoph

    2015-07-15

    We demonstrate a flexible combined electrochemistry and fiber optics-based in situ UV/vis spectroscopy setup to gain insight into the depth evolution of electrochemical hydride and oxide formation in Pd films with thicknesses of 20 and 100 nm. The thicknesses of our model systems are chosen such that the films are thinner or significantly thicker than the optical skin depth of Pd to create two distinctly different situations. Low power white light is irradiated on the sample and analyzed in three different configurations; transmittance through, and, reflectance from the front and the back side of the film. The obtained optical sensitivities correspond to fractions of a monolayer of adsorbed or absorbed hydrogen (H) and oxygen (O) on Pd. Moreover, a combined simultaneous readout obtained from the different optical measurement configurations provides mechanistic insights into the depth-evolution of the studied hydrogenation and oxidation processes.

  13. ALUMINUM HYDRIDE: A REVERSIBLE MATERIAL FOR HYDROGEN STORAGE

    Energy Technology Data Exchange (ETDEWEB)

    Zidan, R; Christopher Fewox, C; Brenda Garcia-Diaz, B; Joshua Gray, J

    2009-01-09

    Hydrogen storage is one of the challenges to be overcome for implementing the ever sought hydrogen economy. Here we report a novel cycle to reversibly form high density hydrogen storage materials such as aluminium hydride. Aluminium hydride (AlH{sub 3}, alane) has a hydrogen storage capacity of 10.1 wt% H{sub 2}, 149 kg H{sub 2}/m{sup 3} volumetric density and can be discharged at low temperatures (< 100 C). However, alane has been precluded from use in hydrogen storage systems because of the lack of practical regeneration methods. The direct hydrogenation of aluminium to form AlH{sub 3} requires over 10{sup 5} bars of hydrogen pressure at room temperature and there are no cost effective synthetic means. Here we show an unprecedented reversible cycle to form alane electrochemically, using alkali metal alanates (e.g. NaAlH{sub 4}, LiAlH{sub 4}) in aprotic solvents. To complete the cycle, the starting alanates can be regenerated by direct hydrogenation of the dehydrided alane and the alkali hydride being the other compound formed in the electrochemical cell. The process of forming NaAlH{sub 4} from NaH and Al is well established in both solid state and solution reactions. The use of adducting Lewis bases is an essential part of this cycle, in the isolation of alane from the mixtures of the electrochemical cell. Alane is isolated as the triethylamine (TEA) adduct and converted to pure, unsolvated alane by heating under vacuum.

  14. Metal-Based PSMA Radioligands

    Directory of Open Access Journals (Sweden)

    Eleni Gourni

    2017-03-01

    Full Text Available Prostate cancer is one of the most common malignancies for which great progress has been made in identifying appropriate molecular targets that would enable efficient in vivo targeting for imaging and therapy. The type II integral membrane protein, prostate specific membrane antigen (PSMA is overexpressed on prostate cancer cells in proportion to the stage and grade of the tumor progression, especially in androgen-independent, advanced and metastatic disease, rendering it a promising diagnostic and/or therapeutic target. From the perspective of nuclear medicine, PSMA-based radioligands may significantly impact the management of patients who suffer from prostate cancer. For that purpose, chelating-based PSMA-specific ligands have been labeled with various diagnostic and/or therapeutic radiometals for single-photon-emission tomography (SPECT, positron-emission-tomography (PET, radionuclide targeted therapy as well as intraoperative applications. This review focuses on the development and further applications of metal-based PSMA radioligands.

  15. 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.

  16. 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.

  17. Gold based bulk metallic glass

    Science.gov (United States)

    Schroers, Jan; Lohwongwatana, Boonrat; Johnson, William L.; Peker, Atakan

    2005-08-01

    Gold-based bulk metallic glass alloys based on Au-Cu-Si are introduced. The alloys exhibit a gold content comparable to 18-karat gold. They show very low liquidus temperature, large supercooled liquid region, and good processibility. The maximum casting thickness exceeds 5mm in the best glassformer. Au49Ag5.5Pd2.3Cu26.9Si16.3 has a liquidus temperature of 644K, a glass transition temperature of 401K, and a supercooled liquid region of 58K. The Vickers hardness of the alloys in this system is ˜350Hv, twice that of conventional 18-karat crystalline gold alloys. This combination of properties makes the alloys attractive for many applications including electronic, medical, dental, surface coating, and jewelry.

  18. Speciation in Metal Toxicity and Metal-Based Therapeutics

    Directory of Open Access Journals (Sweden)

    Douglas M. Templeton

    2015-04-01

    Full Text Available Metallic elements, ions and compounds produce varying degrees of toxicity in organisms with which they come into contact. Metal speciation is critical to understanding these adverse effects; the adjectives “heavy” and “toxic” are not helpful in describing the biological properties of individual elements, but detailed chemical structures are. As a broad generalization, the metallic form of an element is inert, and the ionic salts are the species that show more significant bioavailability. Yet the salts and other chelates of a metal ion can give rise to quite different toxicities, as exemplified by a range of carcinogenic potential for various nickel species. Another important distinction comes when a metallic element is organified, increasing its lipophilicity and hence its ability to penetrate the blood brain barrier, as is seen, for example, with organic mercury and tin species. Some metallic elements, such as gold and platinum, are themselves useful therapeutic agents in some forms, while other species of the same element can be toxic, thus focusing attention on species interconversions in evaluating metal-based drugs. The therapeutic use of metal-chelating agents introduces new species of the target metal in vivo, and this can affect not only its desired detoxification, but also introduce a potential for further mechanisms of toxicity. Examples of therapeutic iron chelator species are discussed in this context, as well as the more recent aspects of development of chelation therapy for uranium exposure.

  19. Development of complex hydride-based all-solid-state lithium ion battery applying low melting point electrolyte

    Science.gov (United States)

    Suzuki, Shohei; Kawaji, Jun; Yoshida, Koji; Unemoto, Atsushi; Orimo, Shin-ichi

    2017-08-01

    A thermally durable all-solid-state lithium ion battery composed of a complex hydride, oxide electrolytes, and LiNi1/3Mn1/3Co1/3O2 active material is developed. This battery exhibits a discharge capacity of 56 mAh g-1, and the tenth capacity retention ratio is 29% at 150 °C owing to the large contact resistance between the electrolyte layer and the composite positive electrode layer. This large contact resistance is reduced by introducing an adhesive layer comprised of a mixture of LiBH4 and LiNH2 that is easily melted by thermal treatment and fills the voids and pores at the interface between the two layers. As a result, repeated charge-discharge cycles are successfully demonstrated at 150 °C with a high discharge capacity and discharge capacity retention ratio. The first discharge capacity is enhanced to 114 mAh g-1 and the capacity retention ratio at the tenth cycle is improved to 71%. These results demonstrate that using an adhesive layer is an effective measure to reduce the contact resistance and thereby enhance the performance of the battery.

  20. High-pressure synthesis of Na{sub 1-x}Li{sub x}MgH{sub 3} perovskite hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Martinez-Coronado, R., E-mail: rmartinez@icmm.csic.es [Instituto de Ciencia de Materiales de Madrid, C.S.I.C., Cantoblanco, E-28049 Madrid (Spain); Sanchez-Benitez, J. [Instituto de Ciencia de Materiales de Madrid, C.S.I.C., Cantoblanco, E-28049 Madrid (Spain); Dpto. Quimica Fisica I, Facultad de Ciencias Quimicas, Universidad Complutense de Madrid, 28040 Madrid (Spain); Retuerto, M. [Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, 610 Taylor Road, Piscataway, NJ 08854-808 (United States); Fernandez-Diaz, M.T. [Institut Laue Langevin, BP 156X, Grenoble F-38042 (France); Alonso, J.A. [Instituto de Ciencia de Materiales de Madrid, C.S.I.C., Cantoblanco, E-28049 Madrid (Spain)

    2012-05-05

    Highlights: Black-Right-Pointing-Pointer New synthesis method for the ternary metal hydride perovskite system Na{sub 1-x}Li{sub x}MgH{sub 3}. Black-Right-Pointing-Pointer Direct reaction of simple hydrides under high-pressure and high-temperature conditions. Black-Right-Pointing-Pointer X-ray and Neutron Powder Diffraction analysis were used to identify the purity of the samples. Black-Right-Pointing-Pointer Perovskite hydride structure; more distorted and unstable as Li is introduced (smaller ionic size of Li{sup +}vs Na{sup +}). Black-Right-Pointing-Pointer Hydrogen desorption temperature much reduced respect to MgH{sub 2}; useful as hydrogen storage materials. - Abstract: Magnesium base alloys are very attractive for hydrogen storage due to their large hydrogen capacity, small weight and low-cost. We have designed a new synthesis method for the ternary metal hydride perovskite system Na{sub 1-x}Li{sub x}MgH{sub 3}, based on the direct reaction of simple hydrides under high-pressure and moderate-temperature conditions. Well-crystallized samples were obtained in a piston-cylinder hydrostatic press at moderate pressures of 2 GPa and temperatures around 750 Degree-Sign C from mixtures of MgH{sub 2}, NaH and LiH enclosed in gold capsules. X-ray and neutron powder diffraction analysis were used to identify the purity of the samples and provide an accurate description of the crystal structure features (GdFeO{sub 3} type). Na{sub 1-x}Li{sub x}MgH{sub 3} hydrides series (0 {<=} x {<=} 0.18) show an orthorhombic symmetry with space group Pnma (No. 62). Thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) have been carried out to determine the hydrogen desorption temperatures.

  1. 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

  2. Mechanochemical processing for metals and metal alloys

    Science.gov (United States)

    Froes, Francis H.; Eranezhuth, Baburaj G.; Prisbrey, Keith

    2001-01-01

    A set of processes for preparing metal powders, including metal alloy powders, by ambient temperature reduction of a reducible metal compound by a reactive metal or metal hydride through mechanochemical processing. The reduction process includes milling reactants to induce and complete the reduction reaction. The preferred reducing agents include magnesium and calcium hydride powders. A process of pre-milling magnesium as a reducing agent to increase the activity of the magnesium has been established as one part of the invention.

  3. Metallic Nanostructures Based on DNA Nanoshapes

    Directory of Open Access Journals (Sweden)

    Boxuan Shen

    2016-08-01

    Full Text Available Metallic nanostructures have inspired extensive research over several decades, particularly within the field of nanoelectronics and increasingly in plasmonics. Due to the limitations of conventional lithography methods, the development of bottom-up fabricated metallic nanostructures has become more and more in demand. The remarkable development of DNA-based nanostructures has provided many successful methods and realizations for these needs, such as chemical DNA metallization via seeding or ionization, as well as DNA-guided lithography and casting of metallic nanoparticles by DNA molds. These methods offer high resolution, versatility and throughput and could enable the fabrication of arbitrarily-shaped structures with a 10-nm feature size, thus bringing novel applications into view. In this review, we cover the evolution of DNA-based metallic nanostructures, starting from the metallized double-stranded DNA for electronics and progress to sophisticated plasmonic structures based on DNA origami objects.

  4. 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

  5. Development of an efficient and durable photocatalytic system for hydride reduction of an NAD(P)+ model compound using a ruthenium(II) complex based on mechanistic studies.

    Science.gov (United States)

    Matsubara, Yasuo; Koga, Kichitaro; Kobayashi, Atsuo; Konno, Hideo; Sakamoto, Kazuhiko; Morimoto, Tatsuki; Ishitani, Osamu

    2010-08-04

    The mechanism of photocatalytic reduction of 1-benzylnicotinamidium cation (BNA(+)) to the 1,4-dihydro form (1,4-BNAH) using [Ru(tpy)(bpy)(L)](2+) (Ru-L(2+), where tpy = 2,2':6',2''-terpyridine, bpy = 2,2'-bipyridine, and L = pyridine and MeCN) as a photocatalyst and NEt(3) as a reductant has been clarified. On the basis of this mechanistic study, an efficient and durable photocatalytic system for selective hydride reduction of an NAD(P)(+) model compound has been developed. The photocatalytic reaction is initiated by the formation of [Ru(tpy)(bpy)(NEt(3))](2+) (Ru-NEt(3)(2+)) via the photochemical ligand substitution of Ru-L(2+). For this reason, the production rate of 1,4-BNAH using [Ru(tpy)(bpy)(MeCN)](2+) (Ru-MeCN(2+)) as a photocatalyst, from which the quantum yield of photoelimination of the MeCN ligand is greater than that of the pyridine ligand from [Ru(tpy)(bpy)(pyridine)](2+) (Ru-py(2+)), was faster than that using Ru-py(2+), especially in the first stage of the photocatalytic reduction. The photoexcitation of Ru-NEt(3)(2+) yields [Ru(tpy)(bpy)H](+) (Ru-H(+)), which reacts with BNA(+) to give 1:1 adduct [Ru(tpy)(bpy)(1,4-BNAH)](2+) (Ru-BNAH(2+)). In the presence of excess NEt(3) in the reaction solution, a deprotonation of the carbamoyl group in Ru-BNAH(2+) proceeds rapidly, mainly forming [Ru(tpy)(bpy)(1,4-BNAH-H(+))](+) (Ru-(BNAH-H(+))(+)). Although photocleavage of the adduct yields 1,4-BNAH and the cycle is completed by the re-coordination of a NEt(3) molecule to the Ru(II) center, this process competes with hydride abstraction from Ru-(BNAH-H(+))(+) by BNA(+) giving 1,4-BNAH and [Ru(tpy)(bpy)(BNA(+)-H(+))](2+). This adduct was observed as the major complex in the reaction solution after the photocatalysis was depressed and is a dead-end product because of its stability. Based on the information about the reaction mechanism and the deactivation process, we have successfully developed a new photocatalytic system using Ru-MeCN(2+) with 2 M of NEt(3) as

  6. Metal detector technology data base

    Energy Technology Data Exchange (ETDEWEB)

    Porter, L.K.; Gallo, L.R.; Murray, D.W.

    1990-08-01

    The tests described in this report were conducted to obtain information on the effects target characteristics have on portal type metal detector response. A second purpose of the tests was to determine the effect of detector type and settings on the detection of the targets. Although in some cases comparison performance of different types and makes of metal detectors is found herein, that is not the primary purpose of the report. Further, because of the many variables that affect metal detector performance, the information presented can be used only in a general way. The results of these tests can show general trends in metal detection, but do little for making accurate predictions as to metal detector response to a target with a complex shape such as a handgun. The shape of an object and its specific metal content (both type and treatment) can have a significant influence on detection. Thus it should not be surprising that levels of detection for a small 100g stainless steel handgun are considerably different than for detection of the 100g stainless steel right circular cylinder that was used in these tests. 7 figs., 1 tab.

  7. 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.

  8. Theoretical characterization of quaternary iridium based hydrides NaAeIrH{sub 6} (Ae = Ca, Ba and Sr)

    Energy Technology Data Exchange (ETDEWEB)

    Bouras, S. [Laboratory of Studies Surfaces and Interfaces of Solids Materials, Department of Physics, Faculty of Science, University of Setif 1, 19000 (Algeria); Ghebouli, B., E-mail: bghebouli@yahoo.fr [Laboratory of Studies Surfaces and Interfaces of Solids Materials, Department of Physics, Faculty of Science, University of Setif 1, 19000 (Algeria); Benkerri, M. [Laboratory of Studies Surfaces and Interfaces of Solids Materials, Department of Physics, Faculty of Science, University of Setif 1, 19000 (Algeria); Ghebouli, M.A., E-mail: med.amineghebouli@yahoo.fr [Microelectronic Laboratory (LMSE), University of Bachir Ibrahimi, Bordj-Bou-Arreridj 34000 (Algeria); Research Unit on Emerging Materials (RUEM), University of Setif 1, 19000 (Algeria); Choutri, H. [Microelectronic Laboratory (LMSE), University of Bachir Ibrahimi, Bordj-Bou-Arreridj 34000 (Algeria); Louail, L.; Chihi, T.; Fatmi, M. [Research Unit on Emerging Materials (RUEM), University of Setif 1, 19000 (Algeria); Bouhemadou, A. [Laboratory for Developing New Materials and Their Characterization, Department of Physics, Faculty of Science, University of Setif 1, 19000 (Algeria); Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Khenata, R.; Khachai, H. [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 (Algeria)

    2015-01-15

    The quaternary iridium based hydrides NaAeIrH{sub 6} (Ae = Ca, Ba and Sr) are promising candidates as hydrogen storage materials. We have studied the structural, elastic, electronic, optical and thermodynamic properties of NaAeIrH{sub 6} (Ae = Ca, Ba and Sr) within the generalized gradient approximation, the local density approximation (LDA) and mBj in the frame of density functional perturbation theory. These alloys have a large indirect Γ–X band gap. The thermodynamic functions were computed using the phonon density of states. The origin of the possible transitions from valence band to conduction band was illustrated. By using the complex dielectric function, the optical properties such as absorption, reflectivity, loss function, refractive index and optical conductivity have been obtained. - Graphical abstract: Real and imaginary parts of the dielectric function, the absorption spectrum α(ω), reflectivity R(ω) and energy-loss spectrum L(ω). - Highlights: • NaAeIrH{sub 6} (Ae = Ca, Ba and Sr) alloys have been investigated. • The elastic moduli, energy gaps are predicted. • The optical and thermal properties were studied.

  9. 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

  10. Modular hydride beds for mobile applications

    Energy Technology Data Exchange (ETDEWEB)

    Malinowski, M.E.; Stewart, K.D.

    1997-08-01

    Design, construction, initial testing and simple thermal modeling of modular, metal hydride beds have been completed. Originally designed for supplying hydrogen to a fuel cell on a mobile vehicle, the complete bed design consists of 8 modules and is intended for use on the Palm Desert Vehicle (PDV) under development at the Schatz Energy Center, Humbolt State University. Each module contains approximately 2 kg of a commercially available, low temperature, hydride-forming metal alloy. Waste heat from the fuel cell in the form of heated water is used to desorb hydrogen from the alloy for supplying feed hydrogen to the fuel cell. In order to help determine the performance of such a modular bed system, six modules were constructed and tested. The design and construction of the modules is described in detail. Initial testing of the modules both individually and as a group showed that each module can store {approximately} 30 g of hydrogen (at 165 PSIA fill pressure, 17 C), could be filled with hydrogen in 6 minutes at a nominal, 75 standard liters/min (slm) fueling rate, and could supply hydrogen during desorption at rates of 25 slm, the maximum anticipated hydrogen fuel cell input requirement. Tests made of 5 modules as a group indicated that the behavior of the group run in parallel both in fueling and gas delivery could be directly predicted from the corresponding, single module characteristics by using an appropriate scaling factor. Simple thermal modeling of a module as an array of cylindrical, hydride-filled tubes was performed. The predictions of the model are in good agreement with experimental data.

  11. Complex rare-earth aluminum hydrides: mechanochemical preparation, crystal structure and potential for hydrogen storage.

    Science.gov (United States)

    Weidenthaler, Claudia; Pommerin, André; Felderhoff, Michael; Sun, Wenhao; Wolverton, Christopher; Bogdanović, Borislav; Schüth, Ferdi

    2009-11-25

    A novel type of complex rare-earth aluminum hydride was prepared by mechanochemical preparation. The crystal structure of the REAlH(6) (with RE = La, Ce, Pr, Nd) compounds was calculated by DFT methods and confirmed by preliminary structure refinements. The trigonal crystal structure consists of isolated [AlH(6)](3-) octahedra bridged via [12] coordinated RE cations. The investigation of the rare-earth aluminum hydrides during thermolysis shows a decrease of thermal stability with increasing atomic number of the RE element. Rare-earth hydrides (REH(x)) are formed as primary dehydrogenation products; the final products are RE-aluminum alloys. The calculated decomposition enthalpies of the rare-earth aluminum hydrides are at the lower end for reversible hydrogenation under moderate conditions. Even though these materials may require somewhat higher pressures and/or lower temperatures for rehydrogenation, they are interesting examples of low-temperature metal hydrides for which reversibility might be reached.

  12. 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.

  13. 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.

  14. Model Based Metal Transfer Control

    DEFF Research Database (Denmark)

    Thomsen, Jesper Sandberg

    2006-01-01

    In pulsed gas metal arc welding (pulsed GMAW) current pulses are used for detaching drops at the tip of the electrode. To obtain a high weld quality one drop should be detached for every pulse, and moreover, the amount of energy used for detachment should be kept at a minimum. Thus, each pulse mu...

  15. 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.

  16. 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)

  17. A Closer Look at Trends in Boiling Points of Hydrides: Using an Inquiry-Based Approach to Teach Intermolecular Forces of Attraction

    Science.gov (United States)

    Glazier, Samantha; Marano, Nadia; Eisen, Laura

    2010-01-01

    We describe how we use boiling-point trends of group IV-VII hydrides to introduce intermolecular forces in our first-year general chemistry classes. Starting with the idea that molecules in the liquid state are held together by some kind of force that must be overcome for boiling to take place, students use data analysis and critical reasoning to…

  18. Thermodynamic data-base for metal fluorides

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Jae Hyung; Lee, Byung Gik; Kang, Young Ho and others

    2001-05-01

    This study is aimed at collecting useful data of thermodynamic properties of various metal fluorides. Many thermodynamic data for metal fluorides are needed for the effective development, but no report of data-base was published. Accordingly, the objective of this report is to rearrange systematically the existing thermodynamic data based on metal fluorides and is to use it as basic data for the development of pyrochemical process. The physicochemical properties of various metal fluorides and metals were collected from literature and such existing data base as HSC code, TAPP code, FACT code, JANAF table, NEA data-base, CRC handbook. As major contents of the thermodynamic data-base, the physicochemical properties such as formation energy, viscosity, density, vapor pressure, etc. were collected. Especially, some phase diagrams of eutectic molten fluorides are plotted and thermodynamic data of liquid metals are also compiled. In the future, the technical report is to be used as basic data for the development of the pyrochemical process which is being carried out as a long-term nuclear R and D project.

  19. Thermodynamic data-base for metal fluorides

    International Nuclear Information System (INIS)

    Yoo, Jae Hyung; Lee, Byung Gik; Kang, Young Ho and others

    2001-05-01

    This study is aimed at collecting useful data of thermodynamic properties of various metal fluorides. Many thermodynamic data for metal fluorides are needed for the effective development, but no report of data-base was published. Accordingly, the objective of this report is to rearrange systematically the existing thermodynamic data based on metal fluorides and is to use it as basic data for the development of pyrochemical process. The physicochemical properties of various metal fluorides and metals were collected from literature and such existing data base as HSC code, TAPP code, FACT code, JANAF table, NEA data-base, CRC handbook. As major contents of the thermodynamic data-base, the physicochemical properties such as formation energy, viscosity, density, vapor pressure, etc. were collected. Especially, some phase diagrams of eutectic molten fluorides are plotted and thermodynamic data of liquid metals are also compiled. In the future, the technical report is to be used as basic data for the development of the pyrochemical process which is being carried out as a long-term nuclear R and D project

  20. 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)

  1. Arsenic speciation based on ion exchange high-performance liquid chromatography hyphenated with hydride generation atomic fluorescence and on-line UV photo oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Bin He; Jiang Gui-bin; Xu Xiao-bai [Chinese Academy of Scinces, Beijing (China). Research Center for Eco-Environmental Sciences

    2000-12-01

    An on-line method capable of the separation of arsenic species was developed for the speciation of arsenite As(III), arsenate As(V), monomethylarsenic (MMA) and dimethylarsenic acid (DMA) in biological samples. The method is based on the combination of high-performance liquid chromatograph (HPLC) for separation, UV photo oxidation for sample digestion and hydride generation atomic fluorescence spectrometry (HGAFS) for sensitive detection. The best separation results were obtained with an anion-exchange AS11 column protected by an AG11 guard column, and gradient elution with NaH{sub 2}PO{sub 4} and water as mobile phase. The on-line UV photo oxidation with 1.5% K{sub 2}S{sub 2}O{sub 8} in 0.2 mol L{sup -1} NaOH in an 8 m PTFE coil for 40 s ensures the digestion of organoarsenic compounds. Detection limits for the four species were in the range of 0.11-0.15 ng (20 {mu}L injected). Procedures were validated by analysis of the certified reference materials GBW09103 freeze-dried human urine and the results were in good agreement with the certified values of total arsenic concentration. The method has been successfully applied to speciation studies of blood arsenic species with no need of sample pretreatment. Speciation of arsenic in blood samples collected from two patients after the ingestion of realgar-containing drug reveals slight increase of arsenite and DMA, resulting from the digestion of realgar. (orig.)

  2. Luminescent properties of aluminum hydride

    Energy Technology Data Exchange (ETDEWEB)

    Baraban, A.P.; Gabis, I.E.; Dmitriev, V.A. [Saint-Petersburg State University, Department of Physics, Saint-Petersburg 198504 (Russian Federation); Dobrotvorskii, M.A., E-mail: mstislavd@gmail.com [Saint-Petersburg State University, Department of Physics, Saint-Petersburg 198504 (Russian Federation); Kuznetsov, V.G. [Saint-Petersburg State University, Department of Physics, Saint-Petersburg 198504 (Russian Federation); Matveeva, O.P. [National Mineral Resources University, Saint Petersburg 199106 (Russian Federation); Titov, S.A. [Petersburg State University of Railway Transport, Saint-Petersburg 190031 (Russian Federation); Voyt, A.P.; Elets, D.I. [Saint-Petersburg State University, Department of Physics, Saint-Petersburg 198504 (Russian Federation)

    2015-10-15

    We studied cathodoluminescence and photoluminescence of α-AlH{sub 3}– a likely candidate for use as possible hydrogen carrier in hydrogen-fueled vehicles. Luminescence properties of original α-AlH{sub 3} and α-AlH{sub 3} irradiated with ultraviolet were compared. The latter procedure leads to activation of thermal decomposition of α-AlH{sub 3} and thus has a practical implementation. We showed that the original and UV-modified aluminum hydride contain luminescence centers ‐ structural defects of the same type, presumably hydrogen vacancies, characterized by a single set of characteristic bands of radiation. The observed luminescence is the result of radiative intracenter relaxation of the luminescence center (hydrogen vacancy) excited by electrons or photons, and its intensity is defined by the concentration of vacancies, and the area of their possible excitation. UV-activation of the dehydrogenation process of aluminum hydride leads to changes in the spatial distribution of the luminescence centers. For short times of exposure their concentration increases mainly in the surface regions of the crystals. At high exposures, this process extends to the bulk of the aluminum hydride and ends with a decrease in concentration of luminescence centers in the surface region. - Highlights: • Aluminum hydride contains hydrogen vacancies which serve as luminescence centers. • The luminescence is the result of radiative relaxation of excited centers. • Hydride UV-irradiation alters distribution and concentration of luminescence centers.

  3. 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...

  4. Base Metal Co-Fired Multilayer Piezoelectrics

    Directory of Open Access Journals (Sweden)

    Lisheng Gao

    2016-03-01

    Full Text Available Piezoelectrics have been widely used in different kinds of applications, from the automobile industry to consumer electronics. The novel multilayer piezoelectrics, which are inspired by multilayer ceramic capacitors, not only minimize the size of the functional parts, but also maximize energy efficiency. Development of multilayer piezoelectric devices is at a significant crossroads on the way to achieving low costs, high efficiency, and excellent reliability. Concerning the costs of manufacturing multilayer piezoelectrics, the trend is to replace the costly noble metal internal electrodes with base metal materials. This paper discusses the materials development of metal co-firing and the progress of integrating current base metal chemistries. There are some significant considerations in metal co-firing multilayer piezoelectrics: retaining stoichiometry with volatile Pb and alkaline elements in ceramics, the selection of appropriate sintering agents to lower the sintering temperature with minimum impact on piezoelectric performance, and designing effective binder formulation for low pO2 burnout to prevent oxidation of Ni and Cu base metal.

  5. Analysis of metal contents in Portland Type V and MTA-based cements.

    Science.gov (United States)

    Dorileo, Maura Cristiane Gonçales Orçati; Bandeca, Matheus Coelho; Pedro, Fábio Luis Miranda; Volpato, Luiz Evaristo Ricci; Guedes, Orlando Aguirre; Dalla Villa, Ricardo; Tonetto, Mateus Rodrigues; Borges, Alvaro Henrique

    2014-01-01

    The aim of this study was to determine, by Atomic Absorption Spectrometry (AAS), the concentration levels of 11 metals in Type V gray and structural white PC, ProRoot MTA, and MTA Bio. Samples, containing one gram of each tested cement, were prepared and transferred to a 100 mL Teflon tube with a mixture of 7.0 mL of nitric acid and 21 mL of hydrochloric acid. After the reaction, the mixture was filtered and then volumed to 50 mL of distilled water. For each metal, specific patterns were determined from universal standards. Arsenic quantification was performed by hydride generator. The analysis was performed five times and the data were statistically analyzed at 5% level of significance. Only the cadmium presented concentration levels of values lower than the quantification limit of the device. The AAS analysis showed increased levels of calcium, nickel, and zinc in structural white PC. Type V PC presented the greatest concentration levels of arsenic, chromium, copper, iron, lead, and manganese (P cements, and the lowest concentration levels were observed in Portland cements, while the highest were observed in ProRoot MTA. Both PC and MTA-based cements showed evidence of metals inclusion.

  6. Analysis of Metal Contents in Portland Type V and MTA-Based Cements

    Directory of Open Access Journals (Sweden)

    Maura Cristiane Gonçales Orçati Dorileo

    2014-01-01

    Full Text Available The aim of this study was to determine, by Atomic Absorption Spectrometry (AAS, the concentration levels of 11 metals in Type V gray and structural white PC, ProRoot MTA, and MTA Bio. Samples, containing one gram of each tested cement, were prepared and transferred to a 100 mL Teflon tube with a mixture of 7.0 mL of nitric acid and 21 mL of hydrochloric acid. After the reaction, the mixture was filtered and then volumed to 50 mL of distilled water. For each metal, specific patterns were determined from universal standards. Arsenic quantification was performed by hydride generator. The analysis was performed five times and the data were statistically analyzed at 5% level of significance. Only the cadmium presented concentration levels of values lower than the quantification limit of the device. The AAS analysis showed increased levels of calcium, nickel, and zinc in structural white PC. Type V PC presented the greatest concentration levels of arsenic, chromium, copper, iron, lead, and manganese (P<0.05. Bismuth was found in all cements, and the lowest concentration levels were observed in Portland cements, while the highest were observed in ProRoot MTA. Both PC and MTA-based cements showed evidence of metals inclusion.

  7. Analysis of Metal Contents in Portland Type V and MTA-Based Cements

    Science.gov (United States)

    Dorileo, Maura Cristiane Gonçales Orçati; Bandeca, Matheus Coelho; Pedro, Fábio Luis Miranda; Volpato, Luiz Evaristo Ricci; Guedes, Orlando Aguirre; Villa, Ricardo Dalla; Tonetto, Mateus Rodrigues; Borges, Alvaro Henrique

    2014-01-01

    The aim of this study was to determine, by Atomic Absorption Spectrometry (AAS), the concentration levels of 11 metals in Type V gray and structural white PC, ProRoot MTA, and MTA Bio. Samples, containing one gram of each tested cement, were prepared and transferred to a 100 mL Teflon tube with a mixture of 7.0 mL of nitric acid and 21 mL of hydrochloric acid. After the reaction, the mixture was filtered and then volumed to 50 mL of distilled water. For each metal, specific patterns were determined from universal standards. Arsenic quantification was performed by hydride generator. The analysis was performed five times and the data were statistically analyzed at 5% level of significance. Only the cadmium presented concentration levels of values lower than the quantification limit of the device. The AAS analysis showed increased levels of calcium, nickel, and zinc in structural white PC. Type V PC presented the greatest concentration levels of arsenic, chromium, copper, iron, lead, and manganese (P < 0.05). Bismuth was found in all cements, and the lowest concentration levels were observed in Portland cements, while the highest were observed in ProRoot MTA. Both PC and MTA-based cements showed evidence of metals inclusion. PMID:25436238

  8. Thermomechanical properties of hafnium hydride

    International Nuclear Information System (INIS)

    Ito, Masato; Kurosaki, Ken; Muta, Hiroaki; Yamanaka, Shinsuke; Uno, Masayoshi; Konashi, Kenji

    2010-01-01

    Fine bulk samples of delta-phase Hf hydride with various hydrogen contents (C H ) ranging from 1.62 to 1.72 in the atomic ratio (H/Hf) were prepared, and their thermomechanical properties were characterized. At room temperature, the sound velocity and Vickers hardness were measured. The elastic modulus was calculated from the measured sound velocity. In the temperature range from room temperature to 673 K, the thermal expansion was measured by using a dilatometer, and the linear thermal expansion coefficient was calculated. Empirical equations describing the thermomechanical properties of Hf hydride as a function of C H were proposed. (author)

  9. Photoelectrochemical conversion of toluene to methylcyclohexane as an organic hydride by Cu 2ZnSnS 4-based photoelectrode assemblies

    KAUST Repository

    Wang, Peng

    2012-02-08

    Direct photoelectrochemical conversion of toluene (TL) to methylcyclohexane (MC) with water has been examined as an organic hydride conversion using light irradiation. The production of MC from TL was observed on Pt/CdS/Cu 2ZnSnS 4/Mo photoelectrodes with anion-type ionomer membrane assemblies. A cathodic photocurrent was observed below 0.7 V vs RHE (V RHE) in 0.1 M Na 2SO 4/NaOH (pH 9.5) aqueous solution, and an apparent photocurrent density of 0.5 mA cm -2 was obtained at 0 V RHE under the irradiation of a 300 W Xe lamp with a 420 nm cutoff filter. The yield of MC was measured by gas chromatography, and an 88% faradaic efficiency was estimated. This study suggests the possibility of direct energy conversion from solar energy to MC as an energy carrier of organic hydrides. © 2012 American Chemical Society.

  10. 21 CFR 872.3710 - Base metal alloy.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Base metal alloy. 872.3710 Section 872.3710 Food... DEVICES DENTAL DEVICES Prosthetic Devices § 872.3710 Base metal alloy. (a) Identification. A base metal alloy is a device composed primarily of base metals, such as nickel, chromium, or cobalt, that is...

  11. Effect of Milling Time and 25Ce-75Ni Addition on Hydrogen Desorption Properties of Magnesium Hydride-based Composite Produced by Mechanical Alloying

    Directory of Open Access Journals (Sweden)

    F. Z. Akbarzadeh

    2018-03-01

    Full Text Available In this study, the composite material with composition of MgH2-10 wt% (25Ce-75Ni has been prepared by co-milling of magnesium hydride powder with Ce-Ni alloy produced by vacuum arc remelting method. The effect of milling time and additive on magnesium hydride structure, i.e. crystallite size, lattice strain and particle size, and also hydrogen desorption properties of obtained composite were evaluated and compared with pure milled MgH2. It has been shown that the addition of 25Ce-75Ni alloy to magnesium hydride yielded a finer particle size. As a consequence, the desorption temperature of mechanically activated MgH2 decreased from 340 °C to 280 °C for composite 1(5 h mechanical alloying and to 290 °C for composite 2 (15 h mechanical alloying. Further improvement in the hydrogen desorption tempreture of composite 1 can be related to finer particle size and higher Mg2NiH4 phase value, which corresponded with calculated enthalpy results.

  12. Saturated ablation in metal hydrides and acceleration of protons and deuterons to keV energies with a soft-x-ray laser.

    Science.gov (United States)

    Andreasson, J; Iwan, B; Andrejczuk, A; Abreu, E; Bergh, M; Caleman, C; Nelson, A J; Bajt, S; Chalupsky, J; Chapman, H N; Fäustlin, R R; Hajkova, V; Heimann, P A; Hjörvarsson, B; Juha, L; Klinger, D; Krzywinski, J; Nagler, B; Pálsson, G K; Singer, W; Seibert, M M; Sobierajski, R; Toleikis, S; Tschentscher, T; Vinko, S M; Lee, R W; Hajdu, J; Tîmneanu, N

    2011-01-01

    Studies of materials under extreme conditions have relevance to a broad area of research, including planetary physics, fusion research, materials science, and structural biology with x-ray lasers. We study such extreme conditions and experimentally probe the interaction between ultrashort soft x-ray pulses and solid targets (metals and their deuterides) at the FLASH free-electron laser where power densities exceeding 10(17) W/cm(2) were reached. Time-of-flight ion spectrometry and crater analysis were used to characterize the interaction. The results show the onset of saturation in the ablation process at power densities above 10(16) W/cm(2). This effect can be linked to a transiently induced x-ray transparency in the solid by the femtosecond x-ray pulse at high power densities. The measured kinetic energies of protons and deuterons ejected from the surface reach several keV and concur with predictions from plasma-expansion models. Simulations of the interactions were performed with a nonlocal thermodynamic equilibrium code with radiation transfer. These calculations return critical depths similar to the observed crater depths and capture the transient surface transparency at higher power densities.

  13. Effect of partial substitution of nickel by tin, aluminum, manganese and palladium on the properties of LaNi5-type metal hydride alloys

    Directory of Open Access Journals (Sweden)

    Souza Elki C.

    2003-01-01

    Full Text Available This work reports studies on the electrochemical behavior of AB5-type hydrogen storage alloys, formed by LaNi(5-xZx, where Z is a metallic element partially replacing Ni, which included Sn, Al, Mn, and Pd. In the case of Mn, some AB6-type structures were also considered. Substitution of a small fraction of Ni by Al, Sn, and Mn (x @ 0.3 leads to an increase of the hydrogen storage capability (HSC, while for Pd there is a decrease of this property. Generally all alloys presenting larger initial HSC exhibit lower stability. A decrease of the hydrogen equilibrium pressure as a function of Mn content is observed for the AB5 alloys and this is related to an increase of the crystalline unit cell volume. Electrochemical impedance measurements show a significant increase of the hydration/dehydration reaction kinetics due to a raise on the active area as a function of the charge/discharge cycle number. It is also seen that the alloys presenting larger HSC are those showing smaller activation energies for the hydrogen oxidation reaction.

  14. Hydrides and deuterides of lithium and sodium. Pt. 1

    International Nuclear Information System (INIS)

    Haque, E.

    1990-01-01

    An interionic potential model is developed for lighter and heavier alkali hydrides and deuterides. The method uses a combination of theoretical techniques, empirical fit, and a few plausible assumptions. An assessment of the derived potentials is made by calculating the lattice statics and dynamics of the crystals and by comparing both with experiment (where available) and with other calculations. The potentials are found to describe the elastic and dielectric properties reasonably well. The phonon dispersion curves of hydride and deuteride of sodium are compared with the calculations of Dyck and Jex based on force constant model approach and the results are discussed. The need for further experiments on heavier hydrides and deuterides is stressed. (author)

  15. Hydride precipitation crack propagation in zircaloy cladding during a decreasing temperature history

    International Nuclear Information System (INIS)

    Stout, R.B.

    2001-01-01

    An assessment of safety, design, and cost tradeoff issues for short (ten to fifty years) and longer (fifty to hundreds of years) interim dry storage of spent nuclear fuel in Zircaloy rods shall address potential failures of the Zircaloy cladding caused by the precipitation response of zirconium hydride platelets. To perform such assessment analyses rigorously and conservatively will be necessarily complex and difficult. For Zircaloy cladding, a model for zirconium hydride induced crack propagation velocity was developed for a decreasing temperature field and for hydrogen, temperature, and stress dependent diffusive transport of hydrogen to a generic hydride platelet at a crack tip. The development of the quasi-steady model is based on extensions of existing models for hydride precipitation kinetics for an isolated hydride platelet at a crack tip. An instability analysis model of hydride-crack growth was developed using existing concepts in a kinematic equation for crack propagation at a constant thermodynamic crack potential subject to brittle fracture conditions. At the time an instability is initiated, the crack propagation is no longer limited by hydride growth rate kinetics, but is then limited by stress rates. The model for slow hydride-crack growth will be further evaluated using existing available data. (authors)

  16. 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

  17. Photoelectron spectroscopy of boron aluminum hydride cluster anions

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Haopeng; Zhang, Xinxing; Ko, Yeon Jae; Gantefoer, Gerd; Bowen, Kit H., E-mail: kbowen@jhu.edu, E-mail: kiran@mcneese.edu [Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Li, Xiang [Center for Space Science and Technology, University of Maryland–Baltimore County, Baltimore, Maryland 21250 (United States); Kiran, Boggavarapu, E-mail: kbowen@jhu.edu, E-mail: kiran@mcneese.edu [Department of Chemistry and Physics, McNeese State University, Lake Charles, Louisiana 70609 (United States); Kandalam, Anil K. [Department of Physics, West Chester University, West Chester, Pennsylvania 19383 (United States)

    2014-04-28

    Boron aluminum hydride clusters are studied through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations. Boron aluminum hydride cluster anions, B{sub x}Al{sub y}H{sub z}{sup −}, were generated in a pulsed arc cluster ionization source and identified by time-of-flight mass spectrometry. After mass selection, their photoelectron spectra were measured by a magnetic bottle-type electron energy analyzer. The resultant photoelectron spectra as well as calculations on a selected series of stoichiometries reveal significant geometrical changes upon substitution of aluminum atoms by boron atoms.

  18. Photoelectron spectroscopy of boron aluminum hydride cluster anions.

    Science.gov (United States)

    Wang, Haopeng; Zhang, Xinxing; Ko, Yeon Jae; Gantefoer, Gerd; Bowen, Kit H; Li, Xiang; Kiran, Boggavarapu; Kandalam, Anil K

    2014-04-28

    Boron aluminum hydride clusters are studied through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations. Boron aluminum hydride cluster anions, BxAlyHz(-), were generated in a pulsed arc cluster ionization source and identified by time-of-flight mass spectrometry. After mass selection, their photoelectron spectra were measured by a magnetic bottle-type electron energy analyzer. The resultant photoelectron spectra as well as calculations on a selected series of stoichiometries reveal significant geometrical changes upon substitution of aluminum atoms by boron atoms.

  19. Ta-based amorphous metal thin films

    Energy Technology Data Exchange (ETDEWEB)

    McGlone, John M., E-mail: mcglone@eecs.oregonstate.edu [School of Electrical Engineering and Computer Science, Oregon State University, Corvallis, OR 97331-5501 (United States); Olsen, Kristopher R. [Department of Chemistry, Oregon State University, Corvallis, OR 97331-4003 (United States); Stickle, William F.; Abbott, James E.; Pugliese, Roberto A.; Long, Greg S. [Hewlett-Packard Company, Corvallis, OR, 97333 (United States); Keszler, Douglas A. [Department of Chemistry, Oregon State University, Corvallis, OR 97331-4003 (United States); Wager, John F. [School of Electrical Engineering and Computer Science, Oregon State University, Corvallis, OR 97331-5501 (United States)

    2015-11-25

    With their lack of grains and grain boundaries, amorphous metals are known to possess advantageous mechanical properties and enhanced chemical stability relative to crystalline metals. Commonly, however, they exhibit poor high-temperature stability because of their metastable nature. Here, we describe two new Ta-based ternary metal thin films that retain thermal stability to 600 °C and above. The new thin-film compositions, Ta{sub 2}Ni{sub 2}Si{sub 1} and Ta{sub 2}Mo{sub 2}Si{sub 1}, are amorphous, exhibiting ultra-smooth surfaces (<0.4 nm) and resistivities typical of amorphous metals (224 and 177 μΩ cm, respectively). - Highlights: • New Ta-based amorphous metals were sputter deposited from individual targets. • As-deposited amorphous structure was confirmed through diffraction techniques. • Electrical and surface properties were characterized and possess smooth surfaces. • No evidence of crystallization up to 600 °C (TaNiSi) and 800 °C (TaMoSi). • Ultra-smooth surfaces remained unchanged up to crystallization temperature.

  20. 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... 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...of both Aluminum Hydride Cluster Anions and Boron Aluminum Hydride Cluster Anions with Oxygen: Anionic Products The anionic products of reactions

  1. Corrosion behavior of Zircaloy 4 cladding material. Evaluation of the hydriding effect

    Energy Technology Data Exchange (ETDEWEB)

    Blat, M. [Electricite de France, 77 - Moret sur Loing (France). Dept. Etudes des Materiaux Les Renardieres; Bourgoin, J. [Electricite de France, 37 - Avoine (France)

    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) 12 refs.

  2. Inert blanketing of a hydride bed using typical grade protium

    Energy Technology Data Exchange (ETDEWEB)

    Klein, J.E. [Savannah River National Laboratory, Aiken (United States)

    2015-03-15

    This paper describes the impact of 500 ppm (0.05%) impurities in protium on the absorption rate of a 9.66 kg LaNi{sub 4.25}Al{sub 0.75} (LANA0.75) metal hydride bed. The presence of 500 ppm or less inerts (i.e. non-hydrogen isotopes) can significantly impact hydrogen bed absorption rates. The impact on reducing absorption rates is significantly greater than predicted assuming uniform temperature, pressure, and compositions throughout the bed. Possible explanations are discussed. One possibility considered was the feed gas contained impurity levels higher than 500 ppm. It was shown that a level of 5000 ppm of inerts would have been necessary to fit the experimental result so this possibility wa dismissed. Another possibility is that the impurities in the protium supply reacted with the hydride material and partially poisoned the hydride. If the hydride were poisoned with CO or another impurity, the removal of the over-pressure gas in the bed would not be expected to allow the hydride loading of the bed to continue as the experimental results showed, so this possibility was also dismissed. The last possibility questions the validity of the calculations. It is assumed in all the calculations that the gas phase composition, temperature, and pressure are uniform throughout the bed. These assumptions are less valid for large beds where there can be large temperature, pressure, and composition gradients throughout the bed. Eventually the impact of 0.05% inerts in protium on bed absorption rate is shown and explained in terms of an increase in inert partial pressure as the bed was loaded.

  3. Synthesis of hydrides by interaction of intermetallic compounds with ammonia

    Energy Technology Data Exchange (ETDEWEB)

    Tarasov, Boris P., E-mail: tarasov@icp.ac.ru [Institute of Problems of Chemical Physics of the Russian Academy of Sciences, Chernogolovka 142432 (Russian Federation); Fokin, Valentin N.; Fokina, Evelina E. [Institute of Problems of Chemical Physics of the Russian Academy of Sciences, Chernogolovka 142432 (Russian Federation); Yartys, Volodymyr A., E-mail: volodymyr.yartys@ife.no [Institute for Energy Technology, Kjeller NO 2027 (Norway); Department of Materials Science and Engineering, Norwegian University of Science and Technology, Trondheim NO 7491 (Norway)

    2015-10-05

    Highlights: • Interaction of the intermetallics A{sub 2}B, AB, AB{sub 2}, AB{sub 5} and A{sub 2}B{sub 17} with NH{sub 3} was studied. • The mechanism of interaction of the alloys with ammonia is temperature-dependent. • Hydrides, hydridonitrides, disproportionation products or metal–N–H compounds are formed. • NH{sub 4}Cl was used as an activator of the reaction between ammonia and intermetallics. • Interaction with ammonia results in the synthesis of the nanopowders. - Abstract: Interaction of intermetallic compounds with ammonia was studied as a processing route to synthesize hydrides and hydridonitrides of intermetallic compounds having various stoichiometries and types of crystal structures, including A{sub 2}B, AB, AB{sub 2}, AB{sub 5} and A{sub 2}B{sub 17} (A = Mg, Ti, Zr, Sc, Nd, Sm; B = transition metals, including Fe, Co, Ni, Ti and nontransition elements, Al and B). In presence of NH{sub 4}Cl used as an activator of the reaction between ammonia and intermetallic alloys, their interaction proceeds at rather mild P–T conditions, at temperatures 100–200 °C and at pressures of 0.6–0.8 MPa. The mechanism of interaction of the alloys with ammonia appears to be temperature-dependent and, following a rise of the interaction temperature, it leads to the formation of interstitial hydrides; interstitial hydridonitrides; disproportionation products (binary hydride; new intermetallic hydrides and binary nitrides) or new metal–nitrogen–hydrogen compounds like magnesium amide Mg(NH{sub 2}){sub 2}. The interaction results in the synthesis of the nanopowders where hydrogen and nitrogen atoms become incorporated into the crystal lattices of the intermetallic alloys. The nitrogenated materials have the smallest particle size, down to 40 nm, and a specific surface area close to 20 m{sup 2}/g.

  4. Chemoelectronic circuits based on metal nanoparticles

    Science.gov (United States)

    Yan, Yong; Warren, Scott C.; Fuller, Patrick; Grzybowski, Bartosz A.

    2016-07-01

    To develop electronic devices with novel functionalities and applications, various non-silicon-based materials are currently being explored. Nanoparticles have unique characteristics due to their small size, which can impart functions that are distinct from those of their bulk counterparts. The use of semiconductor nanoparticles has already led to improvements in the efficiency of solar cells, the processability of transistors and the sensitivity of photodetectors, and the optical and catalytic properties of metal nanoparticles have led to similar advances in plasmonics and energy conversion. However, metals screen electric fields and this has, so far, prevented their use in the design of all-metal nanoparticle circuitry. Here, we show that simple electronic circuits can be made exclusively from metal nanoparticles functionalized with charged organic ligands. In these materials, electronic currents are controlled by the ionic gradients of mobile counterions surrounding the ‘jammed’ nanoparticles. The nanoparticle-based electronic elements of the circuitry can be interfaced with metal nanoparticles capable of sensing various environmental changes (humidity, gas, the presence of various cations), creating electronic devices in which metal nanoparticles sense, process and ultimately report chemical signals. Because the constituent nanoparticles combine electronic and chemical sensing functions, we term these systems ‘chemoelectronic’. The circuits have switching times comparable to those of polymer electronics, selectively transduce parts-per-trillion chemical changes into electrical signals, perform logic operations, consume little power (on the scale of microwatts), and are mechanically flexible. They are also ‘green’, in the sense that they comprise non-toxic nanoparticles cast at room temperature from alcohol solutions.

  5. Development of Non-Noble Metal Ni-Based Catalysts for Dehydrogenation of Methylcyclohexane

    KAUST Repository

    Al-ShaikhAli, Anaam H.

    2016-11-30

    Liquid organic chemical hydride is a promising candidate for hydrogen storage and transport. Methylcyclohexane (MCH) to toluene (TOL) cycle has been considered as one of the feasible hydrogen carrier systems, but selective dehydrogenation of MCH to TOL has only been achieved using the noble Pt-based catalysts. The aim of this study is to develop non-noble, cost-effective metal catalysts that can show excellent catalytic performance, mainly maintaining high TOL selectivity achievable by Pt based catalysts. Mono-metallic Ni based catalyst is a well-known dehydrogenation catalyst, but the major drawback with Ni is its hydrogenolysis activity to cleave C-C bonds, which leads to inferior selectivity towards dehydrogenation of MCH to TOL. This study elucidate addition of the second metal to Ni based catalyst to improve the TOL selectivity. Herein, ubiquitous bi-metallic nanoparticles catalysts were investigated including (Ni–M, M: Ag, Zn, Sn or In) based catalysts. Among the catalysts investigated, the high TOL selectivity (> 99%) at low conversions was achieved effectively using the supported NiZn catalyst under flow of excess H2. In this work, a combined study of experimental and computational approaches was conducted to determine the main role of Zn over Ni based catalyst in promoting the TOL selectivity. A kinetic study using mono- and bimetallic Ni based catalysts was conducted to elucidate reaction mechanism and site requirement for MCH dehydrogenation reaction. The impact of different reaction conditions (feed compositions, temperature, space velocity and stability) and catalyst properties were evaluated. This study elucidates a distinctive mechanism of MCH dehydrogenation to TOL reaction over the Ni-based catalysts. Distinctive from Pt catalyst, a nearly positive half order with respect to H2 pressure was obtained for mono- and bi-metallic Ni based catalysts. This kinetic data was consistent with rate determining step as (somewhat paradoxically) hydrogenation

  6. 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)

  7. 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.

  8. A system of hydrogen powered vehicles with liquid organic hydrides

    International Nuclear Information System (INIS)

    Taube, M.

    1981-07-01

    A motor car system based on the hydrogen produced by nuclear power stations during the night in the summer, and coupled with organic liquid hydride seems to be a feasible system in the near future. Such a system is discussed and the cost is compared with gasoline. (Auth.)

  9. Complex Hydride Compounds with Enhanced Hydrogen Storage Capacity

    Energy Technology Data Exchange (ETDEWEB)

    Mosher, Daniel A.; Opalka, Susanne M.; Tang, Xia; Laube, Bruce L.; Brown, Ronald J.; Vanderspurt, Thomas H.; Arsenault, Sarah; Wu, Robert; Strickler, Jamie; Anton, Donald L.; Zidan, Ragaiy; Berseth, Polly

    2008-02-18

    between alkaline metal hydrides (AmH), Alkaline earth metal hydrides (AeH2), alane (AlH3), transition metal (Tm) hydrides (TmHz, where z=1-3) and molecular hydrogen (H2). The effort started first with variations of known alanates and subsequently extended the search to unknown compounds. In this stage, the FPM techniques were developed and validated on known alanate materials such as NaAlH4 and Na2LiAlH6. The coupled predictive methodologies were used to survey over 200 proposed phases in six quaternary spaces, formed from various combinations of Na, Li Mg and/or Ti with Al and H. A wide range of alanate compounds was examined using SSP having additions of Ti, Cr, Co, Ni and Fe. A number of compositions and reaction paths were identified having H weight fractions up to 5.6 wt %, but none meeting the 7.5 wt%H reversible goal. Similarly, MSP of alanates produced a number of interesting compounds and general conclusions regarding reaction behavior of mixtures during processing, but no alanate based candidates meeting the 7.5 wt% goal. A novel alanate, LiMg(AlH4)3, was synthesized using SBP that demonstrated a 7.0 wt% capacity with a desorption temperature of 150°C. The deuteride form was synthesized and characterized by the Institute for Energy (IFE) in Norway to determine its crystalline structure for related FPM studies. However, the reaction exhibited exothermicity and therefore was not reversible under acceptable hydrogen gas pressures for on-board recharging. After the extensive studies of alanates, the material class of emphasis was shifted to borohydrides. Through SBP, several ligand-stabilized Mg(BH4)2 complexes were synthesized. The Mg(BH4)2*2NH3 complex was found to change behavior with slightly different synthesis conditions and/or aging. One of the two mechanisms was an amine-borane (NH3BH3) like dissociation reaction which released up to 16 wt %H and more conservatively 9 wt%H when not including H2 released from the NH3. From FPM, the stability of the Mg(BH4

  10. 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.

  11. A Novel Zr-1Nb Alloy and a New Look at Hydriding

    Energy Technology Data Exchange (ETDEWEB)

    Robert D. Mariani; James I. Cole; Assel Aitkaliyeva

    2013-09-01

    A novel Zr-1Nb has begun development based on a working model that takes into account the hydrogen permeabilities for zirconium and niobium metals. The beta-Nb secondary phase particles (SPPs) in Zr-1Nb are believed to promote more rapid hydrogen dynamics in the alloy in comparison to other zirconium alloys. Furthermore, some hydrogen release is expected at the lower temperatures corresponding to outages when the partial pressure of H2 in the coolant is less. These characteristics lessen the negative synergism between corrosion and hydriding that is otherwise observed in cladding alloys without niobium. In accord with the working model, development of nanoscale precursors was initiated to enhance the performance of existing Zr-1Nb alloys. Their characteristics and properties can be compared to oxide-dispersion strengthened alloys, and material additions have been proposed to zirconium-based LWR cladding to guard further against hydriding and to fix the size of the SPPs for microstructure stability enhancements. A preparative route is being investigated that does not require mechanical alloying, and 10 nanometer molybdenum particles have been prepared which are part of the nanoscale precursors. If successful, the approach has implications for long term dry storage of used fuel and for new routes to nanoferritic and ODS alloys.

  12. Effects of metastability on hydrogen sorption in fluorine substituted hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Pinatel, E.R.; Corno, M.; Ugliengo, P.; Baricco, M., E-mail: marcello.baricco@unito.it

    2014-12-05

    Highlights: • Fluorine substitution in simple metal hydrides has been modelled. • The stability of the MH{sub (1−x)}F{sub x} solid solutions has been discussed. • Conditions for reversibility of sorption reactions have been suggested. - Abstract: In this work ab initio calculations and Calphad modelling have been coupled to describe the effect of fluorine substitution on the thermodynamics of hydrogenation–dehydrogenation in simple hydrides (NaH, AlH{sub 3} and CaH{sub 2}). These example systems have been used to discuss the conditions required for the formation of a stable hydride–fluoride solid solution necessary to obtain a reversible hydrogenation reaction.

  13. Hydride-induced amplification of performance and binding enthalpies in chromium hydrazide gels for Kubas-type hydrogen storage.

    Science.gov (United States)

    Hamaed, Ahmad; Hoang, Tuan K A; Moula, Golam; Aroca, Ricardo; Trudeau, Michel L; Antonelli, David M

    2011-10-05

    Hydrogen is the ideal fuel because it contains the most energy per gram of any chemical substance and forms water as the only byproduct of consumption. However, storage still remains a formidable challenge because of the thermodynamic and kinetic issues encountered when binding hydrogen to a carrier. In this study, we demonstrate how the principal binding sites in a new class of hydrogen storage materials based on the Kubas interaction can be tuned by variation of the coordination sphere about the metal to dramatically increase the binding enthalpies and performance, while also avoiding the shortcomings of hydrides and physisorpion materials, which have dominated most research to date. This was accomplished through hydrogenation of chromium alkyl hydrazide gels, synthesized from bis(trimethylsilylmethyl) chromium and hydrazine, to form materials with low-coordinate Cr hydride centers as the principal H(2) binding sites, thus exploiting the fact that metal hydrides form stronger Kubas interactions than the corresponding metal alkyls. This led to up to a 6-fold increase in storage capacity at room temperature. The material with the highest capacity has an excess reversible storage of 3.23 wt % at 298 K and 170 bar without saturation, corresponding to 40.8 kg H(2)/m(3), comparable to the 2015 DOE system goal for volumetric density (40 kg/m(3)) at a safe operating pressure. These materials possess linear isotherms and enthalpies that rise on coverage, retain up to 100% of their adsorption capacities on warming from 77 to 298 K, and have no kinetic barrier to adsorption or desorption. In a practical system, these materials would use pressure instead of temperature as a toggle and can thus be used in compressed gas tanks, currently employed in the majority of hydrogen test vehicles, to dramatically increase the amount of hydrogen stored, and therefore range of any vehicle.

  14. 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.

  15. 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...

  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. Computational chemistry and metal-based radiopharmaceuticals

    International Nuclear Information System (INIS)

    Neves, M.; Fausto, R.

    1998-01-01

    Computer-assisted techniques have found extensive use in the design of organic pharmaceuticals but have not been widely applied on metal complexes, particularly on radiopharmaceuticals. Some examples of computer generated structures of complexes of In, Ga and Tc with N, S, O and P donor ligands are referred. Besides parameters directly related with molecular geometries, molecular properties of the predicted structures, as ionic charges or dipole moments, are considered to be related with biodistribution studies. The structure of a series of oxo neutral Tc-biguanide complexes are predicted by molecular mechanics calculations, and their interactions with water molecules or peptide chains correlated with experimental data of partition coefficients and percentage of human protein binding. The results stress the interest of using molecular modelling to predict molecular properties of metal-based radiopharmaceuticals, which can be successfully correlated with results of in vitro studies. (author)

  18. Analytical control of production of As, P, Si, B hydrides and the mixtures on their basis

    International Nuclear Information System (INIS)

    Ivanova, N.T.; Vislykh, N.A.; Voevodina, V.V.

    1989-01-01

    Highly sensitive and selective detectors which are in the basis of some analytical devices, such as chromatograph Tzvet 500G attachment POU-80, gigrometer Enisej gas analyzer Platon that permit to control the production of As, P, Si, B hydrides, are tested. The techniques of tetermination of constant gases, general carbon, moisture in the mixtures based on As, P, Si, B hydrides with diluting gases (H 2 , He, Ar) as well as hydrides in them and in the air of working premises, are suggested

  19. High-pressure synthesis of Mg{sub 2}FeH{sub 6} complex hydride

    Energy Technology Data Exchange (ETDEWEB)

    Retuerto, M.; Sanchez-Benitez, J.; Alonso, J.A. [Instituto de Ciencia de Materiales de Madrid, C.S.I.C., Cantoblanco E-28049 Madrid (Spain); Rodriguez-Canas, E. [Servicio Interdepartamental de Investigacion, Facultad de Ciencias, Universidad Autonoma de Madrid, Cantoblanco E-28049 Madrid (Spain); Serafini, D. [Departamento de Fisica, Facultad de Ciencias, Universidad de Santiago de Chile and Center for Interdisciplinary Research in Materials, CIMAT, Av. Lib. Bernardo O' Higgins 3363, Santiago (Chile)

    2010-08-15

    We have designed a new synthesis method for the ternary metal hydride Mg{sub 2}FeH{sub 6} based on the direct reaction of simple hydrides under high-pressure conditions. Well-crystallized samples were prepared in a piston-cylinder hydrostatic press at 2 GPa and temperatures around 750 C from mixtures of MgH{sub 2} and Fe enclosed in gold or platinum capsules. Seven different samples have been prepared under different conditions. X-ray powder diffraction analysis was used to identify and assess the purity of the samples, through Rietveld analyses of the crystal structure (K{sub 2}PtCl{sub 6}-type). Mg{sub 2}FeH{sub 6} shows a cubic symmetry with space group Fm-3m. SEM images show an average particle size of 1-2 {mu}m for Mg{sub 2}FeH{sub 6}; the microcrystals present well-grown faces and display a high homogeneity of shapes and sizes. Thermogravimetric analysis has been carried out to determine not only the hydrogen desorption temperature but also the hydrogen contents. (author)

  20. A Bimetallic Nickel–Gallium Complex Catalyzes CO 2 Hydrogenation via the Intermediacy of an Anionic d 10 Nickel Hydride

    Energy Technology Data Exchange (ETDEWEB)

    Cammarota, Ryan C. [Department of Chemistry, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455, United States; Vollmer, Matthew V. [Department of Chemistry, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455, United States; Xie, Jing [Department of Chemistry, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455, United States; Supercomputing; Ye, Jingyun [Department of Chemistry, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455, United States; Supercomputing; Linehan, John C. [Pacific Northwest National Laboratory, P.O. Box 999, MS K2-57, Richland, Washington 99352, United States; Burgess, Samantha A. [Pacific Northwest National Laboratory, P.O. Box 999, MS K2-57, Richland, Washington 99352, United States; Appel, Aaron M. [Pacific Northwest National Laboratory, P.O. Box 999, MS K2-57, Richland, Washington 99352, United States; Gagliardi, Laura [Department of Chemistry, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455, United States; Supercomputing; Lu, Connie C. [Department of Chemistry, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455, United States

    2017-09-28

    Large-scale CO2 hydrogenation could offer a renewable stream of industrially important C1 chemicals while reducing CO2 emissions. Critical to this opportunity is the requirement for inexpensive catalysts based on earth-abundant metals instead of precious metals. We report a nickel-gallium complex featuring a Ni(0)→Ga(III) bond that shows remarkable catalytic activity for hydrogenating CO2 to formate at ambient temperature (3150 turnovers, turnover frequency = 9700 h-1), compared with prior homogeneous Ni-centred catalysts. The Lewis acidic Ga(III) ion plays a pivotal role by stabilizing reactive catalytic intermediates, including a rare anionic d10 Ni hydride. The structure of this reactive intermediate shows a terminal Ni-H, for which the hydride donor strength rivals those of precious metal-hydrides. Collectively, our experimental and computational results demonstrate that modulating a transition metal center via a direct interaction with a Lewis acidic support can be a powerful strategy for promoting new reactivity paradigms in base-metal catalysis. The work was supported as part of the Inorganometallic Catalysis Design Center, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences under Award DE-SC0012702. R.C.C. and M.V.V. were supported by DOE Office of Science Graduate Student Research and National Science Foundation Graduate Research Fellowship programs, respectively. J.C.L., S.A.B., and A.M.A. were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  1. 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.

  2. Base metal dehydrogenation of amine-boranes

    Science.gov (United States)

    Blacquiere, Johanna Marie [Ottawa, CA; Keaton, Richard Jeffrey [Pearland, TX; Baker, Ralph Thomas [Los Alamos, NM

    2009-06-09

    A method of dehydrogenating an amine-borane having the formula R.sup.1H.sub.2N--BH.sub.2R.sup.2 using base metal catalyst. The method generates hydrogen and produces at least one of a [R.sup.1HN--BHR.sup.2].sub.m oligomer and a [R.sup.1N--BR.sup.2].sub.n oligomer. The method of dehydrogenating amine-boranes may be used to generate H.sub.2 for portable power sources, such as, but not limited to, fuel cells.

  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. Determination of antimony by using a quartz atom trap and electrochemical hydride generation atomic absorption spectrometry

    International Nuclear Information System (INIS)

    Menemenlioglu, Ipek; Korkmaz, Deniz; Ataman, O. Yavuz

    2007-01-01

    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. 3σ limit of detection was estimated as 0.053 μg l -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

  5. Ballmilling of metal borohydrides for hydrogen storage

    DEFF Research Database (Denmark)

    Sommer, Sanna

    2014-01-01

    is to hydrogenate simple compounds such as metalborides and hydrides with the intention of forming a new and more hydrogen rich borohydride. In contrast to mainstream research, the method of synthesis has been based on reactants that are expected to be found in the metal borohydride’s dehydrogenated state....... Specifically, the research undertaken targets CaB6 whose boron is in a octahedral network, or AlB2 whose boron is layered. These compounds were then reactive ball milled with alkali and alkaline earth metal under hydrogen pressure, with the intention of forming metal borohydrides. For CaB6, no clear sign...

  6. Regeneration of lithium aluminum hydride.

    Science.gov (United States)

    Graetz, Jason; Wegrzyn, James; Reilly, James J

    2008-12-31

    Lithium aluminum hydride (LiAlH(4)) is a promising compound for hydrogen storage, with a high gravimetric and volumetric hydrogen density and a low decomposition temperature. Similar to other metastable hydrides, LiAlH(4) does not form by direct hydrogenation at reasonable hydrogen pressures; therefore, there is considerable interest in developing new routes to regenerate the material from the dehydrogenated products LiH and Al. Here we demonstrate a low-energy route to regenerate LiAlH(4) from LiH and Ti-catalyzed Al. The initial hydrogenation occurs in a tetrahydrofuran slurry and forms the adduct LiAlH(4).4THF. The thermodynamics of this reversible reaction were investigated by measuring pressure-composition isotherms, and the free energy was found to be small and slightly negative (DeltaG = -1.1 kJ/mol H(2)), suggesting an equilibrium hydrogen pressure of just under 1 bar at 300 K. We also demonstrate that the adduct LiAlH(4).4THF can be desolvated at low temperature to yield crystalline LiAlH(4).

  7. 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.

  8. In situ probing of surface hydrides on hydrogenated amorphous silicon using attenuated total reflection infrared spectroscopy

    CERN Document Server

    Kessels, W M M; Sanden, M C M; Aydil, E S

    2002-01-01

    An in situ method based on attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) is presented for detecting surface silicon hydrides on plasma deposited hydrogenated amorphous silicon (a-Si:H) films and for determining their surface concentrations. Surface silicon hydrides are desorbed by exposing the a-Si:H films to low energy ions from a low density Ar plasma and by comparing the infrared spectrum before and after this low energy ion bombardment, the absorptions by surface hydrides can sensitively be separated from absorptions by bulk hydrides incorporated into the film. An experimental comparison with other methods that utilize isotope exchange of the surface hydrogen with deuterium showed good agreement and the advantages and disadvantages of the different methods are discussed. Furthermore, the determination of the composition of the surface hydrogen bondings on the basis of the literature data on hydrogenated crystalline silicon surfaces is presented, and quantification of the h...

  9. 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

  10. 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

  11. Effects of outgassing of loader chamber walls on hydriding of thin films for commercial applications

    Energy Technology Data Exchange (ETDEWEB)

    Provo, James L., E-mail: jlprovo@verizon.net [Consultant, J.L. Provo Consulting, Trinity, Florida 34655-7179 (United States)

    2014-07-01

    )–Cu(1.83 wt. %)Be as a standard, the peak intensity from chamber (4)—stainless-steel (air-fired) was 7.1× higher, indicating that the surface of stainless-steel had a larger concentration of reactive oxygen and/or water than hydrogen. The (D{sub 2}O{sup +}) peak intensity from chamber (3)—Cu (interior Al coating) was 1.55× larger and chamber (2)—alumina(99.8%) was 1.33× higher than Cu(1.83 wt. %)Be. Thus copper–(1.83 wt. %)beryllium was the best hydriding chamber material studied followed closely by the alumina (99.8 wt. %) chamber. Gas take-up by Er occluder targets processed in Cu(1.83 wt. %)Be hydriding chambers (i.e., gas/metal atomic ratios) correlate with the dynamic RGA data.

  12. Improvement of hydrogen sorption properties of compounds based on Vanadium “bcc” alloys by mean of intergranular phase development

    International Nuclear Information System (INIS)

    Planté, D.; Raufast, C.; Miraglia, S.; Rango, P. de; Fruchart, D.

    2013-01-01

    Highlights: •Decrease of “bcc” pseudo cell with the increase of amount of additive. •Additive phase improve activation kinetics. •Chromium in the “bcc” matrix decreases the lattice parameter and destabilizes hydride formation/dissociation. •Lower working temperatures could be obtain. -- Abstract: Body centered cubic structure (“bcc”) type alloys based on Vanadium [1] reveal promising characteristics for mobile applications. These disordered solid solutions have particular metal/hydride equilibrium and some regulation aspects have leaded us to pay special attention to this type of material [2]. Compounds based on Vanadium-rich solid solution have been elaborated in order to destabilize γ hydride phase (corresponding to the face centered cubic (“fcc”) structure of VH 2 ). Addition of Ni and Zr-rich Laves phase as a secondary phase results in the development of a particular microstructure composed of a principal “bcc” matrix rounded by intergranular activating phase. This results in a facilitated and faster activation of these compounds. The present study shows that some constituting species of the secondary phase have diffused in the main matrix and therefore have modified the thermodynamic of hydride. In fact, chromium diffusion into the “bcc” matrix destabilizes hydride. It is correlated to the lower stability of chromium hydride compared to Vanadium hydride. The enthalpic terms of each sample have been measured (assuming standard entropy of 130 J mol −1 K −1 ). The equilibrium metal/hydride can be easily switched in order to adapt it to a mobile hydride tank and obtain low working temperature in regard to the potential use

  13. First-principles calculations of niobium hydride formation in superconducting radio-frequency cavities

    Energy Technology Data Exchange (ETDEWEB)

    Ford, Denise C.; Cooley, Lance D.; Seidman, David N.

    2013-09-01

    Niobium hydride is suspected to be a major contributor to degradation of the quality factor of niobium superconducting radio-frequency (SRF) cavities. In this study, we connect the fundamental properties of hydrogen in niobium to SRF cavity performance and processing. We modeled several of the niobium hydride phases relevant to SRF cavities and present their thermodynamic, electronic, and geometric properties determined from calculations based on density-functional theory. We find that the absorption of hydrogen from the gas phase into niobium is exothermic and hydrogen becomes somewhat anionic. The absorption of hydrogen by niobium lattice vacancies is strongly preferred over absorption into interstitial sites. A single vacancy can accommodate six hydrogen atoms in the symmetrically equivalent lowest-energy sites and additional hydrogen in the nearby interstitial sites affected by the strain field: this indicates that a vacancy can serve as a nucleation center for hydride phase formation. Small hydride precipitates may then occur near lattice vacancies upon cooling. Vacancy clusters and extended defects should also be enriched in hydrogen, potentially resulting in extended hydride phase regions upon cooling. We also assess the phase changes in the niobium-hydrogen system based on charge transfer between niobium and hydrogen, the strain field associated with interstitial hydrogen, and the geometry of the hydride phases. The results of this study stress the importance of not only the hydrogen content in niobium, but also the recovery state of niobium for the performance of SRF cavities.

  14. Instrinsic defect energies of lithium hydride and lithium deuteride crystals

    International Nuclear Information System (INIS)

    Pandey, R.; Stoneham, A.M.

    1985-01-01

    A theoretical study has been made of the defect structure of lithium hydride and lithium deuteride. A potential model is obtained describing the statics and dynamics of these crystals. Intrinsic defect energies are calculated using the Harwell HADES program which is based on a generalised Mott-Littleton method. The results are in good agreement with the experimental data, and suggest that the vacancy and interstitial migration mechanisms of anions and cations are all comparable in their contribution to ionic conduction. (author)

  15. 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.

  16. 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.

  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. 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

  19. A PROTOTYPE FOUR INCH SHORT HYDRIDE (FISH) BED AS A REPLACEMENT TRITIUM STORAGE BED

    Energy Technology Data Exchange (ETDEWEB)

    Klein, J.; Estochen, E.; Shanahan, K.; Heung, L.

    2011-02-23

    The Savannah River Site (SRS) tritium facilities have used 1st generation (Gen1) metal hydride storage bed assemblies with process vessels (PVs) fabricated from 3 inch nominal pipe size (NPS) pipe to hold up to 12.6 kg of LaNi{sub 4.25}Al{sub 0.75} metal hydride for tritium gas absorption, storage, and desorption for over 15 years. The 2nd generation (Gen2) of the bed design used the same NPS for the PV, but the added internal components produced a bed nominally 1.2 m long, and presented a significant challenge for heater cartridge replacement in a footprint limited glove-box. A prototype 3rd generation (Gen3) metal hydride storage bed has been designed and fabricated as a replacement candidate for the Gen2 storage bed. The prototype Gen3 bed uses a PV pipe diameter of 4 inch NPS so the bed length can be reduced below 0.7 m to facilitate heater cartridge replacement. For the Gen3 prototype bed, modeling results show increased absorption rates when using hydrides with lower absorption pressures. To improve absorption performance compared to the Gen2 beds, a LaNi{sub 4.15}Al{sub 0.85} material was procured and processed to obtain the desired pressure-composition-temperature (PCT) properties. Other bed design improvements are also presented.

  20. Effect of Metal Collar on Marginal Distortion of Base Metal Crowns

    Directory of Open Access Journals (Sweden)

    Grami Panah F

    2000-06-01

    Full Text Available It has been shown that noble alloys require metal collar to resist distortion when subjected to"nrepeat firing cycle of porcelain. Metal collar is undesirable due to esthetic concerns. Since base metal"nalloys have superior physical properties, it seems that metal collar would not be necessary for obtaining"nbetter marginal adaptation of base metal crowns. The Purpose of this study was to evaluate the effect of"nmetal collar on marginal distortion of base metal- ceramic crowns, Twenty base metal copings were"nconstructed and divided into two groups with and without collars. After surface preparation, porcelain"nwas applied onto the surface of specimens. Marginal gap was measured by scanning electron microscope"nduring three stages of crown fabrication: before degassing, after degassing and after glazing. The mean"nmeasurements in collarless group were; 21.4±13.4, 2I.4±14.9 and 21.9±11.9 u_m, respectively, and in-"ngroup with collar; 24.7±11.4, 24.0±! 1.5 and 26.6±11.7 urn, respectively. Two- way ANOVA revealed"nno significant difference in the mean values between two groups and among different stages of crown"nfabrication. The results of this study showed that base metal alloys did not distort during crown"nfabrication and metal collar had no effect on the amount of marginal opening (gap.

  1. Application of Fe-based metallic glasses in wastewater treatment

    International Nuclear Information System (INIS)

    Lin Bao; Bian Xiufang; Wang Pan; Luo Guanping

    2012-01-01

    Highlights: ► We found the Fe-based metallic glasses have potential application in wastewater treatment. ► The corrosion on the surface of Fe-based metallic glasses is related to the application. ► We set a new theory to explain the process of degredation organic metters with Fe-based metallic glasses. - Abstract: This work pioneered the use of the Fe 78 Si 9 B 13 metallic glass ribbons in wastewater treatment. Fe 78 Si 9 B 13 metallic glass was employed to remediate wastewater contaminated with a mixture of organic dyes. The removal rate of chemical oxygen demand (COD) with Fe 78 Si 9 B 13 metallic glass and metallic Fe 0 was up to 23 ± 0.93% in 30 min and 21 ± 0.67% with in 45 min, respectively. The dosage of Fe-based metallic glass was only 1/25 of that of metallic Fe 0 to obtain equivalent effects. The mechanism of wastewater treatment through Fe-based metallic glasses is discussed.

  2. 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

  3. 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....

  4. Carbon-supported base metal nanoparticles : Cellulose at work

    NARCIS (Netherlands)

    Hoekstra, Jacco; Versluijs-Helder, Marjan; Vlietstra, Edward J.; Geus, John W.; Jenneskens, Leonardus W.

    2015-01-01

    Pyrolysis of base metal salt loaded microcrystalline cellulose spheres gives a facile access to carbon-supported base metal nanoparticles, which have been characterized with temperature-dependent XRD, SEM, TEM, ICP-MS and elemental analysis. The role of cellulose is multifaceted: 1) it facilitates a

  5. Development of metal based thermal barrier coatings

    Science.gov (United States)

    Shin, Dong-Il

    In this work, metal-based thermal barrier coatings (MBTBCs) have been produced, using high frequency induction plasma spraying (IPS) of iron-based nanostructured alloy powders. Important advances have been made over recent years to the development of ceramic-based thermal barrier coatings (TBCs) for internal combustion engines application, but they are not yet applied in mass production situations. Besides the important economic considerations, the reliability of ceramic: TBCs is also an issue, being associated with the difficulty of predicting their "in-service" lifetime. Through engineering of the nano/amorphous structure of MBTBCs, their thermal conductivity can be made as low as those of ceramic-based TBCs, with reduced mean free paths of the electrons/phonons scattering. In this work, nano/amorphous structured coatings were deposited by IPS using the following spray parameters: spraying distance (210 ˜ 270 mm), plasma gas composition (Ar/N2), IPS torch power (24kW), and powder feed-rate (16g/min.). The structure and properties of the deposited layers were characterized through SEM (Scanning Electron Microscopy) observations. The thermal diffusivity (alpha) properties of the MBTBCs were measured using a laser flash method. Density (rho) and specific heat (Cp) of the MBTBCs were also measured, and their thermal conductivity (k) calculated (k =alpharhoCp). The thermal conductivity of MBTBCs was found to be as low as 1.99 W/m/K. The heat treatment study showed that crystal structure changes, and grain size growth from a few nanometers to tenth of nanometers occurred at 550°C under static exposure conditions. Thermal expansion coefficient (TEC) of MBTBCs was 13E-6/K, which is close to the TEC of cast iron and thus, closer to the TEC values of aluminium alloys than are conventional TBCs. Fracture toughness of MBTBCs has also been assessed by use of Vickers hardness tests, with a 500 g load for 15 s, and the results show that there are no measurable crack

  6. Alloying of Mg/Mg2Ni eutectic by chosen non-hydride forming elements: Relation between segregation of the third element and hydride storage capacity

    Czech Academy of Sciences Publication Activity Database

    Čermák, Jiří; Král, Lubomír

    2012-01-01

    Roč. 197, č. 1 (2012), s. 116-120 ISSN 0378-7753 R&D Projects: GA ČR GA106/09/0814; GA ČR(CZ) GAP108/11/0148 Institutional research plan: CEZ:AV0Z20410507 Keywords : Energy storage materials * Hydrogen storage capacity * Metal hydrides Subject RIV: JG - Metallurgy Impact factor: 4.675, year: 2012

  7. Plasmonic modulator based on gain-assisted metal-semiconductor-metal waveguide

    DEFF Research Database (Denmark)

    Babicheva, Viktoriia E.; Kulkova, Irina V.; Malureanu, Radu

    2012-01-01

    We investigate plasmonic modulators with a gain material to be implemented as ultra-compact and ultra-fast active nanodevices in photonic integrated circuits. We analyze metal-semiconductor-metal (MSM) waveguides with InGaAsP-based active material layers as ultra-compact plasmonic modulators. The...

  8. Hydrogen in aluminium die castings - formation of hydrides and their effects on base material, heat treatability and weldability; Wasserstoff in Aluminium-Druckgussteilen. Hydridbildung und deren Auswirkungen auf Werkstoffkennwerte, Waermebehandel- und Schweissbarkeit

    Energy Technology Data Exchange (ETDEWEB)

    Wiesner, S.; Rethmeier, M.; Ruge, J. [TU Braunschweig (Germany). Inst. fuer Schweisstechnik

    2001-03-01

    The alloys AB-Al Si9Mg (Silafont 36), AB-Al Mg5Si2Mn (Magsimal 59), AB-Al Mg2.5Mn (Magsimal 22), AB-Al Si11Mg (Calypso 61D), AB-Al Si9 (Calypso 49R) and AB-AlSi8Cu3 (226) were investigated to examine the influence of hydride forming elements on base material, heat treatability and weldability. Experiments with the alloys AB-Al Si11Mg and AB-Al Si8Cu3 with a higher titanium content completed the investigations. The determination of concentration-pressure isotherms on die castings of the alloy AB-Al Si8Cu3 shows a capacity for absorption of hydrogen up to one weight percent. This high factor proves again the chemical binding of hydrogen in aluminium die casting alloys. The tensile strength and elongation of not heat treated die castings were independent of the hydrogen contents. The results show an improvement of the heat treatability and a deterioration of the weldability when the contents of hydride forming elements in the aluminium alloy become higher. (orig.) [German] Die Legierungen AB-Al Si9Mg (Silafont 36), AB-Al Mg5Si2Mn (Magsimal 59), AB-Al Mg2,5Mn (Magsimal 22), AB-Al Si11Mg (Calypso 61D), AB-Al Si9 (Calypso 49R) und AB-AlSi8Cu3 (226) wurden untersucht, um den Einfluss von hydridbildenden Begleitelementen auf Werkstoffkennwerte, Waermebehandel- und Schweissbarkeit zu ermitteln. Versuche an den Legierungen AB-Al Si11Mg und AB-Al Si8Cu3 mit erhoehtem Titangehalt ergaenzten die Untersuchungen. Die Bestimmung der Konzentrations-Druck-Isothermen an Druckgussteilen der Legierung AB-Al Si8Cu3 zeigte eine Wasserstoffaufnahmekapazitaet von bis zu einem Gewichtsprozent. Dieser hohe Wert beweist erneut die chemische Bindung von Wasserstoff in Aluminium-Druckgusslegierungen. Die Werkstoffkennwerte von Zugproben in nicht waermebehandelten Druckgussteilen zeigten keine Abhaengigkeit vom Wasserstoffgehalt. Die Versuchsergebnisse weisen auf eine Verbesserung der Waermebehandelbarkeit und eine Verschlechterung der Schweissbarkeit mit zunehmendem Anteil von hydridbildenden

  9. 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.

  10. Complex hydrides as room-temperature solid electrolytes for rechargeable batteries

    DEFF Research Database (Denmark)

    Jongh, P. E. de; Blanchard, D.; Matsuo, M.

    2016-01-01

    with Li-metal anodes, prevent Li dendrite formation, and eliminate risks associated with flammable organic solvents. Less than 10 years ago, LiBH4 was proposed as a solid-state electrolyte. It showed a high ionic conductivity, but only at elevated temperatures. Since then a range of other complex metal......A central goal in current battery research is to increase the safety and energy density of Li-ion batteries. Electrolytes nowadays typically consist of lithium salts dissolved in organic solvents. Solid electrolytes could facilitate safer batteries with higher capacities, as they are compatible...... hydrides has been reported to show similar characteristics. Strategies have been developed to extend the high ionic conductivity of LiBH4 down to room temperature by partial anion substitution or nanoconfinement. The present paper reviews the recent developments in complex metal hydrides as solid...

  11. Preliminary development of flaw evaluation procedures for delayed hydride cracking initiation under hydride non-ratcheting conditions

    Energy Technology Data Exchange (ETDEWEB)

    Xu, S.; Cui, J.; Kawa, D.; Shek, G.K.; Scarth, D.A. [Kinectrics Inc., Toronto, Ontario (Canada)

    2006-07-01

    The flaw evaluation procedure for Delayed Hydride Cracking (DHC) initiation currently provided in the CSA Standard N285.8 was developed for hydride ratcheting conditions, in which flaw-tip hydrides do not completely dissolve at peak temperature. Test results have shown that hydrided regions formed under non-ratcheting conditions, in which flaw-tip hydrides completely dissolve at peak temperature, have significantly higher resistance to cracking than those formed under ratcheting conditions. This paper presents some preliminary work on the development of a procedure for the evaluation of DHC initiation for flaws under hydride non-ratcheting conditions. (author)

  12. 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.

  13. High-Spin Cobalt Hydrides for Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Holland, Patrick L. [Univ. of Rochester, NY (United States)

    2013-08-29

    Organometallic chemists have traditionally used catalysts with strong-field ligands that give low-spin complexes. However, complexes with a weak ligand field have weaker bonds and lower barriers to geometric changes, suggesting that they may lead to more rapid catalytic reactions. Developing our understanding of high-spin complexes requires the use of a broader range of spectroscopic techniques, but has the promise of changing the mechanism and/or selectivity of known catalytic reactions. These changes may enable the more efficient utilization of chemical resources. A special advantage of cobalt and iron catalysts is that the metals are more abundant and cheaper than those currently used for major industrial processes that convert unsaturated organic molecules and biofeedstocks into useful chemicals. This project specifically evaluated the potential of high-spin cobalt complexes for small-molecule reactions for bond rearrangement and cleavage reactions relevant to hydrocarbon transformations. We have learned that many of these reactions proceed through crossing to different spin states: for example, high-spin complexes can flip one electron spin to access a lower-energy reaction pathway for beta-hydride elimination. This reaction enables new, selective olefin isomerization catalysis. The high-spin cobalt complexes also cleave the C-O bond of CO2 and the C-F bonds of fluoroarenes. In each case, the detailed mechanism of the reaction has been determined. Importantly, we have discovered that the cobalt catalysts described here give distinctive selectivities that are better than known catalysts. These selectivities come from a synergy between supporting ligand design and electronic control of the spin-state crossing in the reactions.

  14. Carbon dioxide hydrogenation catalysed by well-defined Mn(i) PNP pincer hydride complexes.

    Science.gov (United States)

    Bertini, Federica; Glatz, Mathias; Gorgas, Nikolaus; Stöger, Berthold; Peruzzini, Maurizio; Veiros, Luis F; Kirchner, Karl; Gonsalvi, Luca

    2017-07-01

    The catalytic reduction of carbon dioxide is of great interest for its potential as a hydrogen storage method and to use carbon dioxide as C-1 feedstock. In an effort to replace expensive noble metal-based catalysts with efficient and cheap earth-abundant counterparts, we report the first example of Mn(i)-catalysed hydrogenation of CO 2 to HCOOH. The hydride Mn(i) catalyst [Mn(PNP NH - i Pr)(H)(CO) 2 ] showed higher stability and activity than its Fe(ii) analogue. TONs up to 10 000 and quantitative yields were obtained after 24 h using DBU as the base at 80 °C and 80 bar total pressure. At catalyst loadings as low as 0.002 mol%, TONs greater than 30 000 could be achieved in the presence of LiOTf as the co-catalyst, which are among the highest activities reported for base-metal catalysed CO 2 hydrogenations to date.

  15. Catalytic Hydrogenation Activity and Electronic Structure Determination of Bis(arylimidazol-2-ylidene)pyridine Cobalt Alkyl and Hydride Complexes

    Science.gov (United States)

    Yu, Renyuan Pony; Darmon, Jonathan M.; Milsmann, Carsten; Margulieux, Grant W.; E. Stieber, S. Chantal; DeBeer, Serena

    2013-01-01

    The bis(arylimidazol-2-ylidene)pyridine cobalt methyl complex, (iPrCNC)CoCH3, was evaluated for the catalytic hydrogenation of alkenes. At 22 °C and 4 atm of H2 pressure, (iPrCNC)CoCH3 is an effective pre-catalyst for the hydrogenation of sterically hindered, unactivated alkenes such as trans-methylstilbene, 1-methyl-1-cyclohexene and 2,3-dimethyl-2-butene, representing one of the most active cobalt hydrogenation catalysts reported to date. Preparation of the cobalt hydride complex, (iPrCNC)CoH was accomplished by hydrogenation of (iPrCNC)CoCH3. Over the course of 3 hours at 22 °C, migration of the metal-hydride to the 4-position of the pyridine ring yielded (4-H2-iPrCNC)CoN2. Similar alkyl migration was observed upon treatment of (iPrCNC)CoH with 1,1-diphenylethylene. This reactivity raised the question as to whether this class of chelate is redoxactive, engaging in radical chemistry with the cobalt center. A combination of structural, spectroscopic and computational studies was conducted and provided definitive evidence for bis(arylimidazol-2-ylidene)pyridine radicals in reduced cobalt chemistry. Spin density calculations established that the radicals were localized on the pyridine ring, accounting for the observed reactivity and suggest a wide family of pyridine-based pincers may also be redox active. PMID:23968297

  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. Surface/structure functionalization of copper-based catalysts by metal-support and/or metal-metal interactions

    Science.gov (United States)

    Konsolakis, Michalis; Ioakeimidis, Zisis

    2014-11-01

    Cu-based catalysts have recently attracted great attention both in catalysis and electro-catalysis fields due to their excellent catalytic performance and low cost. Given that their performance is determined, to a great extent, by Cu sites local environment, considerable efforts have been devoted on the strategic modifications of the electronic and structural properties of Cu sites. In this regard, the feasibility of tuning the local structure of Cu entities by means of metal-support or metal-metal interactions is investigated. More specifically, the physicochemical properties of Cu entities are modified by employing: (i) different oxides (CeO2, La2O3, Sm2O3), or (ii) ceria-based mixed oxides (Ce1-xSmxOδ) as supporting carriers, and (iii) a second metal (Cobalt) adjacent to Cu (bimetallic Cu-Co/CeO2). A characterization study, involving BET, XRD, TPR, and XPS, reveal that significant modifications on structural, redox and electronic properties of Cu sites can be induced by adopting either different oxide carriers or bimetallic complexes. Fundamental insights into the tuning of Cu local environment by metal-support or metal-metal interactions are provided, paving the way for real-life industrial applications.

  18. Saccharide-based Approach to Green Metallic Nanostructure Synthesis

    DEFF Research Database (Denmark)

    Engelbrekt, Christian; Sørensen, Karsten Holm; Jensen, Palle Skovhus

    A green approach to solution synthesis of metallic nanoparticles has been developed using harmless and bioapplicable chemicals as well as moderate temperatures. Metal precursors are reduced by glucose/buffers and sterically stabilized by starch. The saccharide based procedure is highly diverse...

  19. Liquid metal actuation-based reversible frequency tunable monopole antenna

    Science.gov (United States)

    Kim, Daeyoung; Pierce, Richard G.; Henderson, Rashaunda; Doo, Seok Joo; Yoo, Koangki; Lee, Jeong-Bong

    2014-12-01

    We report the fabrication and characterization of a reversible resonant frequency tunable antenna based on liquid metal actuation. The antenna is composed of a coplanar waveguide fed monopole stub printed on a copper-clad substrate, and a tunnel-shaped microfluidic channel linked to the printed metal. The gallium-based liquid metal can be injected and withdrawn from the channel in response to an applied air pressure. The gallium-based liquid metal is treated with hydrochloric acid to eliminate the oxide layer, and associated wetting/sticking problems, that arise from exposure to an ambient air environment. Elimination of the oxide layer allows for reliable actuation and repeatable and reversible tuning. By controlling the liquid metal slug on-demand with air pressure, the liquid metal can be readily controllable to connect/disconnect to the monopole antenna so that the physical length of the antenna reversibly tunes. The corresponding reversible resonant frequency changes from 4.9 GHz to 1.1 GHz. The antenna properties based on the liquid metal actuation were characterized by measuring the reflection coefficient and agreed well with simulation results. Additionally, the corresponding time-lapse images of controlling liquid metal in the channel were studied.

  20. 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)

  1. Hydrogen as a New Alloying Element in Metals

    International Nuclear Information System (INIS)

    Shapovalov, Vladimir

    1999-01-01

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

  2. SILANE-BASED CONVERSION COATING FOR METALS

    Science.gov (United States)

    For the past three years, a project to develop new pretreatment rinses for metals was carried out by the U.S. Environmental Protection Agency and the University of Cincinnati. The project involved optimization of laboratory rinses with dilute aqueous solutions organofunctional s...

  3. Hydriding and dehydriding rates and hydrogen-storage capacity of ...

    Indian Academy of Sciences (India)

    Fe2O3 (expected to increase hydriding rate) was selected as an oxide to be added. Ti was also selected since, it was considered to increase the hydriding and dehydriding rates by forming Ti hydride. A sample, Mg–14Ni–3Fe2O3–3Ti, was prepared by reactive mechanical grinding and its hydrogen storage properties were ...

  4. A Gallium-Based Magnetocaloric Liquid Metal Ferrofluid.

    Science.gov (United States)

    A de Castro, Isabela; Chrimes, Adam F; Zavabeti, Ali; Berean, Kyle J; Carey, Benjamin J; Zhuang, Jincheng; Du, Yi; Dou, Shi X; Suzuki, Kiyonori; Shanks, Robert A; Nixon-Luke, Reece; Bryant, Gary; Khoshmanesh, Khashayar; Kalantar-Zadeh, Kourosh; Daeneke, Torben

    2017-12-13

    We demonstrate a magnetocaloric ferrofluid based on a gadolinium saturated liquid metal matrix, using a gallium-based liquid metal alloy as the solvent and suspension medium. The material is liquid at room temperature, while exhibiting spontaneous magnetization and a large magnetocaloric effect. The magnetic properties were attributed to the formation of gadolinium nanoparticles suspended within the liquid gallium alloy, which acts as a reaction solvent during the nanoparticle synthesis. High nanoparticle weight fractions exceeding 2% could be suspended within the liquid metal matrix. The liquid metal ferrofluid shows promise for magnetocaloric cooling due to its high thermal conductivity and its liquid nature. Magnetic and thermoanalytic characterizations reveal that the developed material remains liquid within the temperature window required for domestic refrigeration purposes, which enables future fluidic magnetocaloric devices. Additionally, the observed formation of nanometer-sized metallic particles within the supersaturated liquid metal solution has general implications for chemical synthesis and provides a new synthetic pathway toward metallic nanoparticles based on highly reactive rare earth metals.

  5. Dual-energy-based metal segmentation for metal artifact reduction in dental computed tomography.

    Science.gov (United States)

    Hegazy, Mohamed A A; Eldib, Mohamed Elsayed; Hernandez, Daniel; Cho, Myung Hye; Cho, Min Hyoung; Lee, Soo Yeol

    2018-02-01

    In a dental CT scan, the presence of dental fillings or dental implants generates severe metal artifacts that often compromise readability of the CT images. Many metal artifact reduction (MAR) techniques have been introduced, but dental CT scans still suffer from severe metal artifacts particularly when multiple dental fillings or implants exist around the region of interest. The high attenuation coefficient of teeth often causes erroneous metal segmentation, compromising the MAR performance. We propose a metal segmentation method for a dental CT that is based on dual-energy imaging with a narrow energy gap. Unlike a conventional dual-energy CT, we acquire two projection data sets at two close tube voltages (80 and 90 kV p ), and then, we compute the difference image between the two projection images with an optimized weighting factor so as to maximize the contrast of the metal regions. We reconstruct CT images from the weighted difference image to identify the metal region with global thresholding. We forward project the identified metal region to designate metal trace on the projection image. We substitute the pixel values on the metal trace with the ones computed by the region filling method. The region filling in the metal trace removes high-intensity data made by the metallic objects from the projection image. We reconstruct final CT images from the region-filled projection image with the fusion-based approach. We have done imaging experiments on a dental phantom and a human skull phantom using a lab-built micro-CT and a commercial dental CT system. We have corrected the projection images of a dental phantom and a human skull phantom using the single-energy and dual-energy-based metal segmentation methods. The single-energy-based method often failed in correcting the metal artifacts on the slices on which tooth enamel exists. The dual-energy-based method showed better MAR performances in all cases regardless of the presence of tooth enamel on the slice of

  6. Aluminum Hydride Catalyzed Hydroboration of Alkynes.

    Science.gov (United States)

    Bismuto, Alessandro; Thomas, Stephen P; Cowley, Michael J

    2016-12-05

    An aluminum-catalyzed hydroboration of alkynes using either the commercially available aluminum hydride DIBAL-H or bench-stable Et 3 Al⋅DABCO as the catalyst and H-Bpin as both the boron reagent and stoichiometric hydride source has been developed. Mechanistic studies revealed a unique mode of reactivity in which the reaction is proposed to proceed through hydroalumination and σ-bond metathesis between the resultant alkenyl aluminum species and HBpin, which acts to drive turnover of the catalytic cycle. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. 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

  8. CARBON-CONTAINING COMPOSITES BASED ON METALS

    Directory of Open Access Journals (Sweden)

    VAGANOV V. E.

    2015-10-01

    Full Text Available Problem statement Among the developed technologies metal-composites production,a special place takes powder metallurgy, having fundamental differences from conventionally used foundry technologies. The main advantages of this technology are: the possibility of sensitive control, the structure and phase composition of the starting components, and ultimately the possibility of obtaining of bulk material in nanostructured state with a minimum of processing steps. The potential reinforcers metals include micro and nano-sized oxides, carbides, nitrides, whiskers. The special position is occupied with carbon nanostructures (CNS: С60 fullerenes, single-layer and multi-layer nanotubes, onions (spherical "bulbs", nano-diamonds and graphite,their properties are being intensively studied in recent years. These objects have a high thermal and electrical conductivity values, superelasticity, and have a strength approximate to the theoretical value, which can provide an obtaining composite nanomaterial with a unique set of physical and mechanical properties. In creation of a metal matrix composite nanomaterials (CM, reinforced by various CNS, a special attention should be given to mechanical activation processes (MA already at the stage of preparation of the starting components affecting the structure, phase composition and properties of aluminum-matrix composites. Purpose. To investigate the influence of mechanical activation on the structure and phase composition of aluminum-matrix composites. Conclusion. The results of the study of the structure and phase composition of the initial and mechanically activated powders and bulk-modified metal-composites are shown, depending on the type and concentration of modifying varieties CNS, regimes of MA and parameters of compaction. The study is conducted of tribological properties of Al-CNS OF nanostructured materials.

  9. [Exposure to vegetal esters based metal cutting fluids: health effects].

    Science.gov (United States)

    Riva, M M; Bellini, M; Leghissa, P; Gambini, D; Mosconi, G

    2012-01-01

    The aim of our research is to study respiratory and dermatologic diseases (irritative and allergic) in a cohort of workers exposed to vegetal esters based metal cutting fluids of the latest generation. A cohort of 81 workers (mean age 34.5 years, seniority 17.4 years), with mean exposure to vegetal esters based metal cutting fluids of 2.8 years, has been subjected to clinical evaluations. The investigation did not reveal any disease or disorder of the respiratory system, any folluculitis or any allergic contact dermatitis caused by sensitization to vegetal esters based metal cutting fluids. On the contrary we documented 5 cases of irritant contact dermatitis, even if favored by an improper use of protection devices. According to early results, the introduction of vegetal esters based metal cutting fluids seems to reduce the risk to the worker's health. A longitudinal surveillance is still needed to confirm that even in the medium and long-term sensitizations will not occur.

  10. Characterization of a U-Mo alloy subjected to direct hydriding of the gamma phase

    International Nuclear Information System (INIS)

    Balart, Silvia N.; Bruzzoni, Pablo; Granovsky, Marta S.

    2003-01-01

    The Reduced Enrichment for Research and Test Reactors (RERTR) program has imposed the need to develop plate-type fuel elements based on high density uranium compounds, such as U-Mo alloys. One of the steps in the fabrication of the fuel elements is the pulverization of the fissile material. In the case of the U-Mo alloys, the pulverization can be accomplished through hydriding - dehydriding. Two alternative methods of the hydriding-dehydriding process, namely the selective hydriding in alpha phase (HS-alpha) and the massive hydriding in gamma phase (HM-gamma) are currently being studied at the Comision Nacional de Energia Atomica. The HM-gamma method was reproduced at laboratory scale starting from a U-7 wt % Mo alloy. The hydrided and dehydrided materials were characterized using metallographic techniques, scanning electron microscopy, energy dispersive X-ray analysis and X-ray diffraction. These results are compared with previous results of the HS-alpha method. (author)

  11. Vacuum tight sodium resistant compound between ThO2 ceramic and metal

    International Nuclear Information System (INIS)

    Reetz, T.

    A method for evaluating the mechanical tensions for metal/ ceramic joinings was applied to the selection of metal components for a highly vacuum tight, sodium-resistant metal/ThO 2 ceramic solder joining. The metal component selected was the iron--nickel alloy Dilasil which is joined to the ceramic using a nickel-based solder. The wetting of the cearamic could be carried out using the titanium hydride technique or after the formation of a W-cerium layer on the surface of this ceramic. (U.S.)

  12. Exploration of the catalytic use of alkali metal bases

    OpenAIRE

    Bao, Wei

    2017-01-01

    This PhD thesis project was concerned with the use of alkali metal amide Brønsted bases and alkali metal alkoxide Lewis bases in (asymmetric) catalysis. The first chapter deals with formal allylic C(sp3)–H bond activation of aromatic and functionalized alkenes for subsequent C–C and C–H bond formations. The second chapter is focused on C(sp3)–Si bond activation of fluorinated pro-nucleophiles in view of C–C bond formations. In the first chapter, a screening of various metal amides...

  13. Exceptional Lithium Storage in a Co(OH) 2 Anode: Hydride Formation

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hyunchul; Choi, Woon Ih [Samsung Advanced Institute of Technology, Samsung Electronics, 130 Samsung-ro, Suwon 16678, South Korea; Jang, Yoonjung; Balasubramanian, Mahalingam [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439, United States; Lee, Wontae; Park, Gwi Ok; Park, Su Bin; Yoo, Jaeseung; Hong, Jin Seok [Samsung Advanced Institute of Technology, Samsung Electronics, 130 Samsung-ro, Suwon 16678, South Korea; Choi, Youn-Suk [Samsung Advanced Institute of Technology, Samsung Electronics, 130 Samsung-ro, Suwon 16678, South Korea; Lee, Hyo Sug [Samsung Advanced Institute of Technology, Samsung Electronics, 130 Samsung-ro, Suwon 16678, South Korea; Bae, In Tae; Kim, Ji Man; Yoon, Won-Sub

    2018-02-26

    Current lithium ion battery technology is tied in with conventional reaction mechanisms such as insertion, conversion, and alloying reactions even though most future applications like EVs demand much higher energy densities than current ones. Exploring the exceptional reaction mechanism and related electrode materials can be critical for pushing current battery technology to a next level. Here, we introduce an exceptional reaction with a Co(OH)(2) material which exhibits an initial charge capacity of 1112 mAh g(-1), about twice its theoretical value based on known conventional conversion reaction, and retains its first cycle capacity after 30 cycles. The combined results of synchrotron X-ray diffraction and X-ray absorption spectroscopy indicate that nanosized Co metal particles and LiOH are generated by conversion reaction at high voltages, and CoxHy, Li2O, and LiH are subsequently formed by hydride reaction between Co metal, LiOH, and other lithium species at low voltages, resulting in a anomalously high capacity beyond the theoretical capacity of Co(OH)(2). This is further corroborated by AIMD simulations, localized STEM, and XPS. These findings will provide not only further understanding of exceptional lithium storage of recent nanostructured materials but also valuable guidance to develop advanced electrode materials with high energy density for next-generation batteries.

  14. Hydrogen adsorption on palladium and palladium hydride at 1 bar

    DEFF Research Database (Denmark)

    Johansson, Martin; Skulason, Egill; Nielsen, Gunver

    2010-01-01

    The dissociative sticking probability for H-2 on Pd films supported on sputtered Highly Ordered Pyrolytic Graphite (HOPG) has been derived from measurements of the rate of the H-D exchange reaction at 1 bar. The sticking probability for H-2, S. is higher on Pd hydride than on Pd (a factor of 1...... 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...

  15. A new kind of metal detector based on chaotic oscillator

    Science.gov (United States)

    Hu, Wenjing

    2017-12-01

    The sensitivity of a metal detector greatly depends on the identification ability to weak signals from the probe. In order to improve the sensitivity of metal detectors, this paper applies the Duffing chaotic oscillator to metal detectors based on its characteristic which is very sensitive to weak periodic signals. To make a suitable Duffing system for detectors, this paper computes two Lyapunov characteristics exponents of the Duffing oscillator, which help to obtain the threshold of the Duffing system in the critical state accurately and give quantitative criteria for chaos. Meanwhile, a corresponding simulation model of the chaotic oscillator is made by the Simulink tool box of Matlab. Simulation results shows that Duffing oscillator is very sensitive to sinusoidal signals in high frequency cases. And experimental results show that the measurable diameter of metal particles is about 1.5mm. It indicates that this new method can feasibly and effectively improve the metal detector sensitivity.

  16. Parametrization of a reactive force field for aluminum hydride

    OpenAIRE

    Ojwang, J. G. O.; van Santen, Rutger A.; Kramer, Gert Jan; van Duin, Adri C. T.; Goddard, William A., III

    2009-01-01

    A reactive force field, REAXFF, for aluminum hydride has been developed based on density functional theory (DFT) derived data. REAXFF_(AlH_3) is used to study the dynamics governing hydrogen desorption in AlH_3. During the abstraction process of surface molecular hydrogen charge transfer is found to be well described by REAXFF_(AlH_3). Results on heat of desorption versus cluster size show that there is a strong dependence of the heat of desorption on the particle size, which implies that nan...

  17. Metallic ion release from biocompatible cobalt-based alloy

    Directory of Open Access Journals (Sweden)

    Dimić Ivana D.

    2014-01-01

    Full Text Available Metallic biomaterials, which are mainly used for the damaged hard tissue replacements, are materials with high strength, excellent toughness and good wear resistance. The disadvantages of metals as implant materials are their susceptibility to corrosion, the elastic modulus mismatch between metals and human hard tissues, relatively high density and metallic ion release which can cause serious health problems. The aim of this study was to examine metallic ion release from Co-Cr-Mo alloy in artificial saliva. In that purpose, alloy samples were immersed into artificial saliva with different pH values (4.0, 5.5 and 7.5. After a certain immersion period (1, 3 and 6 weeks the concentrations of released ions were determined using Inductively Coupled Plasma - Mass Spectrophotometer (ICP-MS. The research findings were used in order to define the dependence between the concentration of released metallic ions, artificial saliva pH values and immersion time. The determined released metallic ions concentrations were compared with literature data in order to describe and better understand the phenomenon of metallic ion release from the biocompatible cobalt-based alloy. [Projekat Ministarstva nauke Republike Srbije, br. III 46010 i br. ON 174004

  18. Effects of δ-hydride precipitation at a crack tip on crack propagation in delayed hydride cracking of Zircaloy-2

    Science.gov (United States)

    Kubo, T.; Kobayashi, Y.

    2013-08-01

    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. The stress distribution around the crack tip is significantly altered by precipitation of hydride. 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

  19. Hydride-catalyzed corrosion of plutonium by air: Initiation by plutonium monoxide monohydride

    International Nuclear Information System (INIS)

    Allen, T.H.; Haschke, J.M.

    1998-06-01

    Chemistry and kinetics of air reactions with plutonium monoxide monohydride (PuOH) and with mixtures of the oxide hydride and plutonium metal are defined by results of pressure-volume-temperature (PVT) measurements. Test with specimens prepared by total and partial corrosion of plutonium in 0.05 M sodium chloride solution show that reaction of residual water continues to generate H 2 after liquid water is removed by evacuation. Rapid exposure of PuOH to air at room temperature does not produce a detectable reaction, but similar exposure of a partially corroded metal sample containing Pu and PuOH results in hydride (PuH x )-catalyzed corrosion of the residual Pu. Kinetics of he first-order reaction resulting in formation of the PuH x catalyst and of the indiscriminate reaction of N 2 and O 2 with plutonium metal are defined. The rate of the catalyzed Pu+air reaction is independent of temperature (E a = 0), varies as the square of air pressure, and equals 0.78 ± 0.03 g Pu/cm 2 min in air at one atmosphere. The absence of pyrophoric behavior for PuOH and differences in the reactivities of PuOH and PuOH + Pu mixtures are attributed to kinetic control by gaseous reaction products. Thermodynamic properties of the oxide hydride are estimated, particle size distributions of corrosion products are presented, and potential hazards associated with products formed by aqueous corrosion of plutonium are discussed

  20. Heavy Metal Uptake by Novel Miscanthus Seed-Based Hybrids Cultivated in Heavy Metal Contaminated Soil

    Directory of Open Access Journals (Sweden)

    Krzyżak Jacek

    2017-09-01

    Full Text Available When heavy metal contaminated soils are excluded from food production, biomass crops offer an alternative commercial opportunity. Perennial crops have potential for phytoremediation. Whilst the conditions at heavy metal contaminated sites are challenging, successful phytoremediation would bring significant economic and social benefits. Seed-based Miscanthus hybrids were tested alongside the commercial clone Miscanthus × giganteus on arable land, contaminated with Pb, Cd and Zn near Katowice. Before the randomized experimental plots were established (25m2 plots with plant density 2/m2 ‘time-zero’ soil samples were taken to determine initial levels of total (aqua regia and bioavailable (CaCl2 extraction concentration of Pb, Cd and Zn. After the growing season plant material was sampled during autumn (October, green harvest and winter (March, brown harvest to determine differences in heavy metal uptake. Results after the first growing season are presented, including the plot establishment success, biomass yield and heavy metal uptake.

  1. Tunable, omnidirectional structural color on reflection based on metal-SiOx-metal structure

    Science.gov (United States)

    Yang, Chenying; Mao, Kening; Shen, Weidong; Fang, Bo; Fang, Xu; Zhang, Xing; Zhang, Yueguang; Liu, Xu

    2016-12-01

    An omnidirectional structural color based on the metal-SiOx-metal stack structure is proposed, which can present the same perceived color for a broad range of incidence angles. The tunable structural color can be obtained with adjustable intermediate dielectric layer by simply adjusting the deposition condition, especially the oxygen flow rate during the deposition processes. The resonance condition can be satisfied across the whole visible light region with this special dielectric. The strong absorption caused by the resonance within the metal-SiOx-metal structure accounts for the efficient spectral filtering feature, and the constant phase shift within the dielectric layer leads to angle insensitivity of this color filter. This simple color tuning method for omnidirectional structural colors can have a great potential in various applications such as displaying, imaging, colorful decoration, anti-counterfeiting and so forth.

  2. Structure and properties of transition metal-metalloid glasses based on refractory metals

    International Nuclear Information System (INIS)

    Johnson, W.L.; Williams, A.R.

    1979-01-01

    The structure and properties of several new transition metal-metalloid (TM/sub 1-x/M/sub x/) metallic glasses based on refractory transition metals (e.g. Mo, W, Ru etc.) have been systemically investigated as a function of composition. The structure of the alloys has been investigated by x-ray diffraction methods and measurements of superconducting properties, electrical resistivity, density, hardness, and mechanical behavior were made. These data are used in developing a novel description of the structure of TM/sub 1-x/M/sub x/ glasses. The experimental evidence suggests that an ideal amorphous phase forms at a specific composition x/sub c/ and that this phase has a well defined atomic short range order. For metallic glasses having x x/sub c/. This novel picture can explain the variation of many properties of these glasses with metalloid concentration

  3. Heavy Metal Uptake by Novel Miscanthus Seed-Based Hybrids Cultivated in Heavy Metal Contaminated Soil

    Science.gov (United States)

    Krzyżak, Jacek; Pogrzeba, Marta; Rusinowski, Szymon; Clifton-Brown, John; McCalmont, Jon Paul; Kiesel, Andreas; Mangold, Anja; Mos, Michal

    2017-09-01

    When heavy metal contaminated soils are excluded from food production, biomass crops offer an alternative commercial opportunity. Perennial crops have potential for phytoremediation. Whilst the conditions at heavy metal contaminated sites are challenging, successful phytoremediation would bring significant economic and social benefits. Seed-based Miscanthus hybrids were tested alongside the commercial clone Miscanthus × giganteus on arable land, contaminated with Pb, Cd and Zn near Katowice. Before the randomized experimental plots were established (25m2 plots with plant density 2/m2) `time-zero' soil samples were taken to determine initial levels of total (aqua regia) and bioavailable (CaCl2 extraction) concentration of Pb, Cd and Zn. After the growing season plant material was sampled during autumn (October, green harvest) and winter (March, brown harvest) to determine differences in heavy metal uptake. Results after the first growing season are presented, including the plot establishment success, biomass yield and heavy metal uptake.

  4. Powered by DFT: Screening methods that accelerate materials development for hydrogen in metals applications.

    Science.gov (United States)

    Nicholson, Kelly M; Chandrasekhar, Nita; Sholl, David S

    2014-11-18

    CONSPECTUS: Not only is hydrogen critical for current chemical and refining processes, it is also projected to be an important energy carrier for future green energy systems such as fuel cell vehicles. Scientists have examined light metal hydrides for this purpose, which need to have both good thermodynamic properties and fast charging/discharging kinetics. The properties of hydrogen in metals are also important in the development of membranes for hydrogen purification. In this Account, we highlight our recent work aimed at the large scale screening of metal-based systems with either favorable hydrogen capacities and thermodynamics for hydrogen storage in metal hydrides for use in onboard fuel cell vehicles or promising hydrogen permeabilities relative to pure Pd for hydrogen separation from high temperature mixed gas streams using dense metal membranes. Previously, chemists have found that the metal hydrides need to hit a stability sweet spot: if the compound is too stable, it will not release enough hydrogen under low temperatures; if the compound is too unstable, the reaction may not be reversible under practical conditions. Fortunately, we can use DFT-based methods to assess this stability via prediction of thermodynamic properties, equilibrium reaction pathways, and phase diagrams for candidate metal hydride systems with reasonable accuracy using only proposed crystal structures and compositions as inputs. We have efficiently screened millions of mixtures of pure metals, metal hydrides, and alloys to identify promising reaction schemes via the grand canonical linear programming method. Pure Pd and Pd-based membranes have ideal hydrogen selectivities over other gases but suffer shortcomings such as sensitivity to sulfur poisoning and hydrogen embrittlement. Using a combination of detailed DFT, Monte Carlo techniques, and simplified models, we are able to accurately predict hydrogen permeabilities of metal membranes and screen large libraries of candidate alloys

  5. Chitosan-based Schiff base-metal complexes (Mn, Cu, Co) as ...

    Indian Academy of Sciences (India)

    based Schiff base-metal complexes (Mn, Cu, Co) as heterogeneous, new catalysts for the -isophorone oxidation. C S Thatte ... A new chitosan-based Schiff base was prepared and complexed with manganese, cobalt and copper. These Schiff ...

  6. Ultrasonic estimation of hydride degradation of zirconium pressure tubes of RBMK fuel channel

    International Nuclear Information System (INIS)

    Kazys, R.; Sliteris, R.; Mazeika, L.; Voleisis, A.

    2006-01-01

    Fuel channels of nuclear reactors, which are major structural elements of a reactor core, have to meet strict requirements in terms of operational reliability. The middle part of the fuel channel, located in a graphite stack, is a tube made of a zirconium-2.5% niobium alloy. However, zirconium alloys can pick up hydrogen during operation as a consequence of corrosion reaction with water. Hydrogen redistributes easily at elevated temperatures migrating down a temperature or concentration gradient and up a stress gradient. When the terminal solid solubility is exceeded in a component such as a pressure tube that is highly stressed for long periods of time, delayed hydride cracking failures may occur. To estimate degradation of the zirconium alloy in the presence of hydrides, predetermined amounts of hydrogen were added to the sections of the fuel channel tubes by electrolytic deposition of a layer of hydride on the surface of the pressure tube material followed by dissolving the hydride layer by diffusion annealing at an elevated temperature. For estimation of the concentration of zirconium hydride platelets in the zirconium alloy test samples ultrasonic testing methods were proposed. The first method is based on precise measurement of velocity of longitudinal and shear wave at different directions and the second is based on the investigation of high frequency ultrasonic signals backscattered in a focal zone of an ultrasonic transducer. The experimental investigations were performed on the zirconium alloy samples of different concentration of hydrides in the immersion tank at a room temperature. The results obtained on testing samples using different excitation conditions and different types of ultrasonic waves are presented. (orig.)

  7. Metal-carbon nanocomposites based on activated IR pyrolized polyacrylonitrile

    Energy Technology Data Exchange (ETDEWEB)

    Efimov, Mikhail N.; Zhilyaeva, Natalya A.; Vasilyev, Andrey A.; Muratov, Dmitriy G.; Zemtsov, Lev M.; Karpacheva, Galina P. [A.V. Topchiev Institute of Petrochemical Synthesis RAS, Leninskiy Prospekt 29, 119991 Moscow Russia (Russian Federation)

    2016-05-18

    In this paper we report about new approach to preparation of metal-carbon nanocomposites based on activated carbon. Polyacrylonitrile is suggested as a precursor for Co, Pd and Ru nanoparticles carbon support which is prepared under IR pyrolysis conditions of a precursor. The first part of the paper is devoted to study activated carbon structural characteristics dependence on activation conditions. In the second part the effect of type of metal introduced in precursor on metal-carbon nanocomposite structural characteristics is shown. Prepared AC and nanocomposite samples are characterized by BET, TEM, SEM and X-ray diffraction.

  8. Metal-carbon nanocomposites based on activated IR pyrolized polyacrylonitrile

    International Nuclear Information System (INIS)

    Efimov, Mikhail N.; Zhilyaeva, Natalya A.; Vasilyev, Andrey A.; Muratov, Dmitriy G.; Zemtsov, Lev M.; Karpacheva, Galina P.

    2016-01-01

    In this paper we report about new approach to preparation of metal-carbon nanocomposites based on activated carbon. Polyacrylonitrile is suggested as a precursor for Co, Pd and Ru nanoparticles carbon support which is prepared under IR pyrolysis conditions of a precursor. The first part of the paper is devoted to study activated carbon structural characteristics dependence on activation conditions. In the second part the effect of type of metal introduced in precursor on metal-carbon nanocomposite structural characteristics is shown. Prepared AC and nanocomposite samples are characterized by BET, TEM, SEM and X-ray diffraction.

  9. Polyamorphism in Yb-based metallic glass induced by pressure

    Science.gov (United States)

    Li, Liangliang; Luo, Qiang; Li, Renfeng; Zhao, Haiyan; Chapman, Karena W.; Chupas, Peter J.; Wang, Luhong; Liu, Haozhe

    2017-04-01

    The Yb62.5Zn15Mg17.5Cu5 metallic glass is investigated using synchrotron x-ray total scattering method up to 38.4 GPa. The polyamorphic transformation from low density to high density with a transition region between 14.1 and 25.2 GPa is observed, accompanying with a volume collapse reflected by a discontinuousness of isothermal bulk modulus. This collapse is caused by that distortional icosahedron short range order precedes to perfect icosahedron, which might link to Yb 4f electron delocalization upon compression, and match the result of in situ electrical resistance measurement under high pressure conditions. This discovery in Yb-based metallic glass, combined with the previous reports on other metallic glass systems, demonstrates that pressure induced polyamorphism is the general behavior for typical lanthanide based metallic glasses.

  10. ALUMINUM HYDRIDE: A REVERSIBLE MATERIAL FOR HYDROGEN STORAGE

    Energy Technology Data Exchange (ETDEWEB)

    Fewox, C; Ragaiy Zidan, R; Brenda Garcia-Diaz, B

    2008-12-31

    Hydrogen storage is one of the greatest challenges for implementing the ever sought hydrogen economy. Here we report a novel cycle to reversibly form high density hydrogen storage materials such as aluminium hydride. Aluminium hydride (AlH{sub 3}, alane) has a hydrogen storage capacity of 10.1 wt% H{sub 2}, 149 kg H{sub 2}/m{sup 3} volumetric density and can be discharged at low temperatures (< 100 C). However, alane has been precluded from use in hydrogen storage systems because of the lack of practical regeneration methods; the direct hydrogenation of aluminium to form AlH{sub 3} requires over 10{sup 5} bars of hydrogen pressure at room temperature and there are no cost effective synthetic means. Here we show an unprecedented reversible cycle to form alane electrochemically, using alkali alanates (e.g. NaAlH{sub 4}, LiAlH{sub 4}) in aprotic solvents. To complete the cycle, the starting alanates can be regenerated by direct hydrogenation of the dehydrided alane and the alkali hydride being the other compound formed in the electrochemical cell. The process of forming NaAlH{sub 4} from NaH and Al is well established in both solid state and solution reactions. The use of adducting Lewis bases is an essential part of this cycle, in the isolation of alane from the mixtures of the electrochemical cell. Alane is isolated as the triethylamine (TEA) adduct and converted to pure, unsolvated alane by heating under vacuum.

  11. An alternative picture of alkali-metal-mediated metallation: cleave and capture chemistry.

    Science.gov (United States)

    Mulvey, Robert E

    2013-05-21

    This perspective article takes an alternative look at alkali-metal-mediated chemistry (exchange of a relatively inert C-H bond for a more reactive C-metal bond by a multicomponent reagent usually containing an alkali metal and a less electropositive metal such as magnesium or zinc). It pictures that the cleavage of selected C-H bonds can be accompanied by the capturing of the generated anion by the multi (Lewis acid)-(Lewis base) character of the residue of the bimetallic base. In this way small atoms or molecules (hydrides, oxygen-based anions) as well as sensitive organic anions (of substituted aromatic compounds, ethers or alkenes) can be captured. Cleave and capture reactions which occur in special positions on the organic substrate are also included.

  12. A new Mannich base and its transition metal (II) complexes ...

    Indian Academy of Sciences (India)

    Unknown

    some metal complexes of this type of Mannich base and investigate its bonding characteristics. We herein report a new Mannich base, N-(1-morpholinoben- zyl) semicarbazide formed by the three-component condensation, containing active hydrogen on nitro- gen (morpholine), benzaldehyde and semicarbazide.

  13. Indicator minerals as guides to base metal sulphide mineralisation ...

    Indian Academy of Sciences (India)

    and metamorphosed volcanogenic base metal sul- phide mineralisation, and based on compositional considerations, zincian spinel has been proposed as an indicator mineral and a potential exploration guide in the search of ores of this type (Sandhaus and Craig 1986; Sheridan and Raymond 1984; Spry and Scott 1986a ...

  14. Frustration across the periodic table: heterolytic cleavage of dihydrogen by metal complexes.

    Science.gov (United States)

    Bullock, R Morris; Chambers, Geoffrey M

    2017-08-28

    This perspective examines frustrated Lewis pairs (FLPs) in the context of heterolytic cleavage of H 2 by transition metal complexes, with an emphasis on molecular complexes bearing an intramolecular Lewis base. FLPs have traditionally been associated with main group compounds, yet many reactions of transition metal complexes support a broader classification of FLPs that includes certain types of transition metal complexes with reactivity resembling main group-based FLPs. This article surveys transition metal complexes that heterolytically cleave H 2 , which vary in the degree that the Lewis pairs within these systems interact. Many of the examples include complexes bearing a pendant amine functioning as the base with the metal functioning as the hydride acceptor. Consideration of transition metal compounds in the context of FLPs can inspire new innovations and improvements in transition metal catalysis.This article is part of the themed issue 'Frustrated Lewis pair chemistry'. © 2017 The Author(s).

  15. Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system.

    Science.gov (United States)

    Drozdov, A P; Eremets, M I; Troyan, I A; Ksenofontov, V; Shylin, S I

    2015-09-03

    A superconductor is a material that can conduct electricity without resistance below a superconducting transition temperature, Tc. The highest Tc that has been achieved to date is in the copper oxide system: 133 kelvin at ambient pressure and 164 kelvin at high pressures. As the nature of superconductivity in these materials is still not fully understood (they are not conventional superconductors), the prospects for achieving still higher transition temperatures by this route are not clear. In contrast, the Bardeen-Cooper-Schrieffer theory of conventional superconductivity gives a guide for achieving high Tc with no theoretical upper bound--all that is needed is a favourable combination of high-frequency phonons, strong electron-phonon coupling, and a high density of states. These conditions can in principle be fulfilled for metallic hydrogen and covalent compounds dominated by hydrogen, as hydrogen atoms provide the necessary high-frequency phonon modes as well as the strong electron-phonon coupling. Numerous calculations support this idea and have predicted transition temperatures in the range 50-235 kelvin for many hydrides, but only a moderate Tc of 17 kelvin has been observed experimentally. Here we investigate sulfur hydride, where a Tc of 80 kelvin has been predicted. We find that this system transforms to a metal at a pressure of approximately 90 gigapascals. On cooling, we see signatures of superconductivity: a sharp drop of the resistivity to zero and a decrease of the transition temperature with magnetic field, with magnetic susceptibility measurements confirming a Tc of 203 kelvin. Moreover, a pronounced isotope shift of Tc in sulfur deuteride is suggestive of an electron-phonon mechanism of superconductivity that is consistent with the Bardeen-Cooper-Schrieffer scenario. We argue that the phase responsible for high-Tc superconductivity in this system is likely to be H3S, formed from H2S by decomposition under pressure. These findings raise hope for the

  16. Structural stability of complex hydrides LiBH4 revisited

    DEFF Research Database (Denmark)

    Lodziana, Zbigniew; Vegge, Tejs

    2004-01-01

    A systematic approach to study the phase stability of LiBH4 based on ab initio calculations is presented. Three thermodynamically stable phases are identified and a new phase of Cc symmetry is proposed for the first time for a complex hydride. The x-ray diffraction pattern and vibrational spectra...

  17. Phenolic composition of pomegranate peel extracts using an LC-MS approach with silica hydride columns

    Science.gov (United States)

    The peels of different pomegranate cultivars (Molla Nepes, Parfianka, Purple Heart, Wonderful and Vkunsyi) were compared in terms of phenolic composition and total phenolics. Analyses were performed on two silica hydride-based stationary phases: phenyl and undecenoic acid columns. Quantitation was ...

  18. New artificial fluoro-cofactor of hydride transfer with novel fluorescence assay for redox biocatalysis.

    Science.gov (United States)

    Zhang, Lei; Yuan, Jun; Xu, Yufang; Zhang, Y-H Percival; Qian, Xuhong

    2016-05-11

    A new artificial fluoro-cofactor was developed for the replacement of natural cofactors NAD(P), exhibiting a high hydride transfer ability. More importantly, we established a new and fast screening method for the evaluation of the properties of artificial cofactors based on the fluorescence assay and visible color change.

  19. COMPREHENSIVE ANALYSIS OF BIOLOGICALLY RELEVANT ARSENICALS BY PH-SELECTIVE HYDRIDE GENERATION-ATOMIC ABSORPTION SPECTROMETRY

    Science.gov (United States)

    A method based on pH-selective generation and separation of arsines is commonly used for analysis of inorganic, methylated, and dimethylated trivalent and pentavalent arsenicals by hydride generation-atomic absorption spectrometry (HG-AAS). We have optimized this method to pe...

  20. U-based metallic glasses with superior glass forming ability

    Science.gov (United States)

    Xu, Hongyang; Ke, Haibo; Huang, Huogen; Zhang, Pengguo; Pu, Zhen; Zhang, Pei; Liu, Tianwei

    2018-02-01

    By using Al as the third and B as the fourth but minor alloying elements for the U66.7Co33.3 basic metallic glass, a series of U-Co-Al(-B) alloys were designed. The quaternary U-Co-Al-B alloys exhibit significantly improved glass-forming ability (GFA) than previously reported U-based metallic glasses. Low fragility (∼24) is found for these new U-based metallic glasses. The improvement in GFA would result from denser atomic packing in the undercooled liquids due to the presence of small B atoms. Some U-Co-Al(-B) glasses showed corrosion resistance comparable to that of U64Co34Al2 glass, known for premium anti-corrosive performance among the unveiled U-based glasses.

  1. Base metal alloys used for dental restorations and implants.

    Science.gov (United States)

    Roach, Michael

    2007-07-01

    One of the primary reasons for the development of base metal alloys for dental applications has been the escalating cost of gold throughout the 20th century. In addition to providing lower cost alternatives, these nonprecious alloys were also found to provide better mechanical properties and aesthetics for some oral applications. Additionally, certain base metal alloy systems are preferred because of their superior mechanical properties, lower density, and in some cases, their capability to osseo-integrate. The base metal alloy systems most commonly used in dentistry today include stainless steels, nickel-chromium, cobalt-chromium, titanium, and nickel-titanium alloys. Combined, these alloy systems provide a wide range of available properties to choose the correct material for both temporary and long-term restoration and implant applications.

  2. Biomaterial based novel polyurethane adhesives for wood to wood and metal to metal bonding

    Directory of Open Access Journals (Sweden)

    Mitesh Ramanlal Patel

    2009-01-01

    Full Text Available Polyurethane adhesives made from synthetic chemicals are non-biodegradable, costly and difficult to find raw materials from local market. To avoid solid pollution problem, cost effectiveness and easy availability of raw materials, biomaterials based polyurethane adhesives are used in current industrial interest. Direct use of castor oil in polyurethane adhesive gives limited hardness. Modification on active sites of castor oil to utilize double bond of unsaturated fatty acid and carboxyl group yields new modified or activated polyols, which can be utilized for polyurethane adhesive formulation. In view of this, we have synthesized polyurethane adhesives from polyester polyols, castor oil based polyols and epoxy based polyols with Isocyanate adducts based on castor oil and trimethylolpropane. To study the effects of polyurethane adhesive strength (i.e. lap shear strength on wood-to-wood and metal-to-metal bonding through various types of polyols, cross-linking density, isocyanate adducts and also to compare adhesive strength between wood to wood and metal to metal surface. These polyols and polyurethanes were characterized through GPC, NMR and IR-spectroscopy, gel and surface drying time. Thermal stability of PU adhesives was determined under the effect of cross-linking density (NCO/OH ratio. The NCO/OH ratio (1.5 was optimized for adhesives as the higher NCO/OH ratio (2.0 increasing cross-linking density and decreases adhesion. Lower NCO/OH ratio (1.0 provideslow cross-linking density and low strength of adhesives.

  3. Plasmonic modulator based on thin metal-semiconductor-metal waveguide with gain core

    DEFF Research Database (Denmark)

    Babicheva, Viktoriia; Malureanu, Radu; Lavrinenko, Andrei

    2013-01-01

    We focus on plasmonic modulators with a gain core to be implemented as active nanodevices in photonic integrated circuits. In particular, we analyze metal–semiconductor–metal (MSM) waveguides with InGaAsP-based active material layers. A MSM waveguide enables high field localization and therefore...

  4. Metal speciation in Dutch soils: Field-based partition coefficients for heavy metals at background levels

    NARCIS (Netherlands)

    Hoop MAGT van den; LAC

    1995-01-01

    For 13 Dutch soil samples, total concentrations in the solid phase and in the soil solution were determined for the heavy metals Cd, Cu, Ni, Pb and Zn. The soils were characterized in terms of organic carbon content, pH, clay content and cation exchange capacity. Average field-based

  5. Oxidation State Specific Generation of Arsines from Methylated Arsenicals Based on L- Cysteine Treatment in Buffered Media for Speciation Analysis by Hydride Generation - Automated Cryotrapping - Gas Chromatography-Atomic Absorption Spectrometry with the Multiatomizer

    OpenAIRE

    Matoušek, Tomáš; Hernández-Zavala, Araceli; Svoboda, Milan; Langrová, Lenka; Adair, Blakely M.; Drobná, Zuzana; Thomas, David J.; Stýblo, Miroslav; Dědina, Jiří

    2008-01-01

    An automated system for hydride generation - cryotrapping- gas chromatography - atomic absorption spectrometry with the multiatomizer is described. Arsines are preconcentrated and separated in a Chromosorb filled U-tube. An automated cryotrapping unit, employing nitrogen gas formed upon heating in the detection phase for the displacement of the cooling liquid nitrogen, has been developed. The conditions for separation of arsines in a Chromosorb filled U-tube have been optimized. A complete se...

  6. Antimicrobial resistance challenged with metal-based antimicrobial macromolecules.

    Science.gov (United States)

    Abd-El-Aziz, Alaa S; Agatemor, Christian; Etkin, Nola

    2017-02-01

    Antimicrobial resistance threatens the achievements of science and medicine, as it deactivates conventional antimicrobial therapeutics. Scientists respond to the threat by developing new antimicrobial platforms to prevent and treat infections from these resistant strains. Metal-based antimicrobial macromolecules are emerging as an alternative to conventional platforms because they combine multiple mechanisms of action into one platform due to the distinctive properties of metals. For example, metals interact with intracellular proteins and enzymes, and catalyse various intracellular processes. The macromolecular architecture offers a means to enhance antimicrobial activity since several antimicrobial moieties can be conjugated to the scaffold. Further, these macromolecules can be fabricated into antimicrobial materials for contact-killing medical implants, fabrics, and devices. As volatilization or leaching out of the antimicrobial moieties from the macromolecular scaffold is reduced, these medical implants, fabrics, and devices can retain their antimicrobial activity over an extended period. Recent advances demonstrate the potential of metal-based antimicrobial macromolecules as effective platforms that prevent and treat infections from resistant strains. In this review these advances are thoroughly discussed within the context of examples of metal-based antimicrobial macromolecules, their mechanisms of action and biocompatibility. Copyright © 2016 Elsevier Ltd. All rights reserved.

  7. 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.

  8. 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)

  9. Charge transport in metal oxide nanocrystal-based materials

    Science.gov (United States)

    Runnerstrom, Evan Lars

    There is probably no class of materials more varied, more widely used, or more ubiquitous than metal oxides. Depending on their composition, metal oxides can exhibit almost any number of properties. Of particular interest are the ways in which charge is transported in metal oxides: devices such as displays, touch screens, and smart windows rely on the ability of certain metal oxides to conduct electricity while maintaining visible transparency. Smart windows, fuel cells, and other electrochemical devices additionally rely on efficient transport of ionic charge in and around metal oxides. Colloidal synthesis has enabled metal oxide nanocrystals to emerge as a relatively new but highly tunable class of materials. Certain metal oxide nanocrystals, particularly highly doped metal oxides, have been enjoying rapid development in the last decade. As in myriad other materials systems, structure dictates the properties of metal oxide nanocrystals, but a full understanding of how nanocrystal synthesis, the processing of nanocrystal-based materials, and the structure of nanocrystals relate to the resulting properties of nanocrystal-based materials is still nascent. Gaining a fundamental understanding of and control over these structure-property relationships is crucial to developing a holistic understanding of metal oxide nanocrystals. The unique ability to tune metal oxide nanocrystals by changing composition through the introduction of dopants or by changing size and shape affords a way to study the interplay between structure, processing, and properties. This overall goal of this work is to chemically synthesize colloidal metal oxide nanocrystals, process them into useful materials, characterize charge transport in materials based on colloidal metal oxide nanocrystals, and develop ways to manipulate charge transport. In particular, this dissertation characterizes how the charge transport properties of metal oxide nanocrystal-based materials depend on their processing and

  10. Theoretical analysis of a nanoscale plasmonic filter based on a rectangular metal-insulator-metal waveguide

    International Nuclear Information System (INIS)

    Yun Binfeng; Hu Guohua; Cui Yiping

    2010-01-01

    A compact and nanometric surface plasmon polariton (SPP) band-pass filter based on a rectangular ring resonator composed of metal-insulator-metal waveguides is proposed. Using the finite difference time domain method, the effects of the structure parameters on the transmission characteristics of this SPP band-pass filter are analysed in detail. The results show that the proposed SPP filter has narrow transmission peaks and the corresponding resonance wavelengths can be linearly tuned by altering the resonator's cavity length. Moreover, the transmission ratios of the pass bands can be tuned by changing the coupling gaps between the input/output MIM waveguides and the resonator. Also the metal loss and dispersion effects on the filter responses are included. The simple band-pass SPP filter is very promising for high-density SPP waveguide integrations.

  11. 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

  12. Development of a modular room-temperature hydride storage system for vehicular applications

    Science.gov (United States)

    Capurso, Giovanni; Schiavo, Benedetto; Jepsen, Julian; Lozano, Gustavo; Metz, Oliver; Saccone, Adriana; De Negri, Serena; Bellosta von Colbe, José M.; Klassen, Thomas; Dornheim, Martin

    2016-03-01

    The subject of this paper concerns the development of a vehicular hydrogen tank system, using a commercial interstitial metal hydride as storage material. The design of the tank was intended to feed a fuel cell in a light prototype vehicle, and the chosen hydride material, Hydralloy C5 by GfE, was expected to be able to absorb and desorb hydrogen in a range of pressure suitable for this purpose. A systematic analysis of the material in laboratory scale allows an extrapolation of the thermodynamic and reaction kinetics data. The following development of the modular tank was done according to the requirements of the prototype vehicle propulsion system and led to promising intermediate results. The modular approach granted flexibility in the design, allowing both to reach carefully the design goals and to learn the limiting factors in the sorption process. Proper heat management and suitable equipment remain key factors in order to achieve the best performances.

  13. DFT study on metal-mediated uracil base pair complexes

    Directory of Open Access Journals (Sweden)

    Ayhan Üngördü

    2017-11-01

    Full Text Available The most stable of metal-mediated uracil base pair complexes were determined. Method was used density functional theory, B3LYP. The calculations of systems containing C, H, N, O were described by 6-311++G(d,p and cc-PVTZ basis sets and LANL2DZ and SDD basis sets was used for transition metals. Then Egap values of complexes were calculated and the electrical conductivity of the complexes for single nanowires was studied by band theory. Metal-mediated uracil base pair complexes which will be used as conductive wires in nanotechnology were predicted. In nanoworld, this study is expected to show a way for practical applications.

  14. HYDRIDE-RELATED DEGRADATION OF SNF CLADDING UNDER REPOSITORY CONDITIONS

    International Nuclear Information System (INIS)

    McCoy, K.

    2000-01-01

    The purpose and scope of this analysis/model report is to analyze the degradation of commercial spent nuclear fuel (CSNF) cladding under repository conditions by the hydride-related metallurgical processes, such as delayed hydride cracking (DHC), hydride reorientation and hydrogen embrittlement, thereby providing a better understanding of the degradation process and clarifying which aspects of the process are known and which need further evaluation and investigation. The intended use is as an input to a more general analysis of cladding degradation

  15. Aluminum Hydride as a Fuel Supplement to NanoThermites

    Science.gov (United States)

    2014-01-01

    SECURITY CLASSIFICATION OF: An experimental study was conducted in which aluminum hydride (alane, AlH3) replaced nanoaluminum incrementally as a fuel in a...pressurization rate, and burning velocity when micron-scale aluminum hydride was used as a minor fuel component in a nanoaluminum–copper-oxide thermite...mixture. Peak pressurization rates were found when the aluminum hydride made up about 25% of the fuel by mole. Pressurization rates increase by a

  16. 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...... 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....

  17. Positron depth profiling of the structural and electronic structure transformations of hydrogenated Mg-based thin films

    NARCIS (Netherlands)

    Eijt, S.W.H.; Kind, R.; Singh, S.; Schut, H.; Legerstee, W.J.; Hendrikx, R.W.A.; Svetchnikov, V.L.; Westerwaal, R.J.; Dam, B.

    2009-01-01

    We report positron depth-profiling studies on the hydrogen sorption behavior and phase evolution of Mg-based thin films. We show that the main changes in the depth profiles resulting from the hydrogenation to the respective metal hydrides are related to a clear broadening in the observed electron

  18. 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.)

  19. Transmission Electron Microscopy Studies on Titanium-doped Sodium Aluminum Hydride

    Science.gov (United States)

    Culnane, Lance F.

    Hydrogen fuel cells play an important role in today's diverse and blossoming alternative energy industry. One of the greatest technological barriers for vehicular applications is the storage of hydrogen (which is required to power hydrogen fuel cells). Storing hydrogen as a gas is not volume efficient, and storing it as a liquid is not cost effective, therefore solid-state storage of hydrogen, such as in metal hydrides offers the most potential for success since many metal hydrides have attractive qualities for hydrogen storage such as: high volumetric capacity, cost efficiency, weight efficiency, low refueling times, and most importantly, high safety. Unfortunately, a compound has not been discovered which contains all of the attractive hydrogen storage qualities for vehicular applications. Sodium aluminum hydride (NaAlH 4) is one of the few compounds which is close to meeting requirements for car manufacturers, and has perhaps been researched the most extensively out of all metal hydrides in the last 15 years. This arises from the remarkable discovery by Bogdanovic who found that doping NaAlH4 with Ti dopants enabled the reversible dehydrogenation and hydrogenation of NaAlH 4 at mild conditions. Various evidence and theories have been proposed to suggest explanations for the enhanced kinetic effect that Ti-doping and ball-milling provide. However, the research community has not reached a consensus as to the exact role of Ti-dopants. If the role of titanium in the NaAlH4 dehydrogenation/hydrogenation mechanism could be understood, then more attractive metal hydrides could be designed. To this end, we conducted Transmission Electron Microscopy (TEM) studies to explain the role of the Ti dopants. The first known thorough particle size analysis of the NaAlH4 system was conducted, as well as TEM-EELS (Electron Energy Loss Spectroscopy), TEM-EDS (Energy Dispersive X-ray Spectroscopy), and in-situ imaging studies. Preparation methods were found to be important for the

  20. Theoretical investigation on spin-forbidden cooling transitions of gallium hydride.

    Science.gov (United States)

    Zhang, Yun-Guang; Zhang, Hua; Song, Hai-Yang; Yu, You; Wan, Ming-Jie

    2017-09-20

    Herein, the spin-forbidden cooling of a gallium hydride molecule is investigated using ab initio quantum chemistry. The cooling transition and the corresponding potential energy curves including , a 3 Π 0 - , a 3 Π 0 + , a 3 Π 1 , a 3 Π 2 , A 1 Π 1 , , 1 3 Σ, , , and 2 3 Σ states are simulated based on the multi-reference configuration interaction approach plus Davidson corrections method. By solving the nuclear Schrödinger equation, we calculate the spectroscopic constants of these states, which are in good agreement with the available experimental values. Based on the transition data, there seems to be a theoretical puzzle: highly diagonally distributed Franck-Condon factor f 00 for transitions , , and for the gallium hydride molecule but the intervening state A 1 Π 1 for transition is prohibitive to laser cooling. In addition, the transition does not have a suitable rate of optical cycling owing to a large radiative lifetime for state. Our theoretical simulation indicates the solution to the puzzle: the transition has a high emission rate, and there is a suitable radiative lifetime for a 3 Π 1 state, which can ensure rapid and efficient laser cooling of gallium hydride. The proposed laser drives transition by using three wavelengths (main pump laser λ 00 ; two repumping lasers λ 10 and λ 21 ). These results demonstrate the possibility of laser-cooling the gallium hydride molecule, and a sub-microkelvin cool temperature can be reached for this molecule.

  1. A transparent electrode based on a metal nanotrough network.

    Science.gov (United States)

    Wu, Hui; Kong, Desheng; Ruan, Zhichao; Hsu, Po-Chun; Wang, Shuang; Yu, Zongfu; Carney, Thomas J; Hu, Liangbing; Fan, Shanhui; Cui, Yi

    2013-06-01

    Transparent conducting electrodes are essential components for numerous flexible optoelectronic devices, including touch screens and interactive electronics. Thin films of indium tin oxide-the prototypical transparent electrode material-demonstrate excellent electronic performances, but film brittleness, low infrared transmittance and low abundance limit suitability for certain industrial applications. Alternatives to indium tin oxide have recently been reported and include conducting polymers, carbon nanotubes and graphene. However, although flexibility is greatly improved, the optoelectronic performance of these carbon-based materials is limited by low conductivity. Other examples include metal nanowire-based electrodes, which can achieve sheet resistances of less than 10Ω □(-1) at 90% transmission because of the high conductivity of the metals. To achieve these performances, however, metal nanowires must be defect-free, have conductivities close to their values in bulk, be as long as possible to minimize the number of wire-to-wire junctions, and exhibit small junction resistance. Here, we present a facile fabrication process that allows us to satisfy all these requirements and fabricate a new kind of transparent conducting electrode that exhibits both superior optoelectronic performances (sheet resistance of ~2Ω □(-1) at 90% transmission) and remarkable mechanical flexibility under both stretching and bending stresses. The electrode is composed of a free-standing metallic nanotrough network and is produced with a process involving electrospinning and metal deposition. We demonstrate the practical suitability of our transparent conducting electrode by fabricating a flexible touch-screen device and a transparent conducting tape.

  2. Identification of the zirconium hydrides metallography in zircaloy-2

    International Nuclear Information System (INIS)

    Garcia Gonzalez, F.

    1968-01-01

    Technique for the Identification of the zirconium hydrides in metallographic specimens have been developed. Microhardness, quantitative estimation and relative orientation of the present hydrides as well as grain size determination of the different Zircaloy-2 tube specimens have also been made. The specimens used were corrosion- tested in water during various periods of time at 300 degree castrating, prior to the metallographic examination. Reference specimens, as received, and heavily hydride specimens in a hydrogen atmosphere at 800 degree centigrees, have been used in the previous stages of the work. No difficulties have been met in this early stage of acquaintanceship with the zirconium hydrides. (Author) 5 refs

  3. Spectrophotometric determination of volautile inorganic hydrides in binary gaseous mixtures

    International Nuclear Information System (INIS)

    Rezchikov, V.G.; Skachkova, I.N.; Kuznetsova, T.S.; Khrushcheva, V.V.

    1985-01-01

    A study was made on possibility of single and continuons analysis of binary mixtures (hydride-gas) for the content of volatile inorganic hydrides (VIH) from absorption spectra in the 185-280 nm band. Dependences of the percentage of VIH transmission on the wavelength are presented. It is shown that the maximum of their absorption depends on the element-hydrogen the bond length and binding energy. Detection limit for boron hydride was established to be n x 10 -3 % vol at 185-190 nm wavelength. Technique for spectrophotometric hydride determination in binary mixtures with hydrogen, argon, helium was developed. The technique provides the continuous control of gaseous mixture composition

  4. THE STEREOCHEMISTRY AND MECHANISM OF HYDRIDE REDUCTIONS OF CYCLOHEXENE OXIDES.

    Science.gov (United States)

    HYDRIDES, *OXIDATION REDUCTION REACTIONS), (* CYCLOHEXANOLS , SYNTHESIS (CHEMISTRY)), (*STEREOCHEMISTRY, CYCLOHEXANES), (*BOROHYDRIDES, REDUCTION...CHEMISTRY)), DIBORANES, OXYGEN HETEROCYCLIC COMPOUNDS, CYCLOHEXANONES, CYCLOHEXENES , MOLECULAR ISOMERISM, ORGANIC SOLVENTS, GAS CHROMATOGRAPHY

  5. Triethylborane-induced radical reactions with gallium hydride reagent HGaCl2.

    Science.gov (United States)

    Mikami, S; Fujita, K; Nakamura, T; Yorimitsu, H; Shinokubo, H; Matsubara, S; Oshima, K

    2001-06-14

    [see reaction]. A gallium hydride reagent, HGaCl2, was found to act as a radical mediator, like tributyltin hydride. Treatment of alkyl halides with the gallium hydride reagent, generated from gallium trichloride and sodium bis(2-methoxyethoxy)aluminum hydride, provided the corresponding reduced products in excellent yields. Radical cyclization of halo acetals was also successful with not only the stoichiometric gallium reagent but also a catalytic amount of gallium trichloride combined with stoichiometric aluminum hydride as a hydride source.

  6. Synthesis and heavy metal immobilization behaviors of slag based geopolymer.

    Science.gov (United States)

    Yunsheng, Zhang; Wei, Sun; Qianli, Chen; Lin, Chen

    2007-05-08

    In this paper, two aspects of studies are carried out: (1) synthesis of geopolymer by using slag and metakaolin; (2) immobilization behaviors of slag based geopolymer in a presence of Pb and Cu ions. As for the synthesis of slag based geopolymer, four different slag content (10%, 30%, 50%, 70%) and three types of curing regimes (standard curing, steam curing and autoclave curing) are investigated to obtain the optimum synthesis condition based on the compressive and flexural strength. The testing results showed that geopolymer mortar containing 50% slag that is synthesized at steam curing (80 degrees C for 8h), exhibits higher mechanical strengths. The compressive and flexural strengths of slag based geopolymer mortar are 75.2 MPa and 10.1 MPa, respectively. Additionally, Infrared (IR), X-ray diffraction (XRD) and scanning electron microscopy (SEM) techniques are used to characterize the microstructure of the slag based geopolymer paste. IR spectra show that the absorptive band at 1086 cm(-1) shifts to lower wave number around 1007 cm(-1), and some six-coordinated Als transforms into four-coordination during the synthesis of slag based geopolymer paste. The resulting slag based geopolymeric products are X-ray amorphous materials. SEM observation shows that it is possible to have geopolymeric gel and calcium silicate hydrate (C-S-H) gel forming simultaneously within slag based geopolymer paste. As for immobilization of heavy metals, the leaching tests are employed to investigate the immobilization behaviors of the slag based geopolymer mortar synthesized under the above optimum condition. The leaching tests show that slag based geopolymer mortar can effectively immobilize Cu and Pb heavy metal ions, and the immobilization efficiency reach 98.5% greater when heavy metals are incorporated in the slag geopolymeric matrix in the range of 0.1-0.3%. The Pb exhibits better immobilization efficiency than the Cu in the case of large dosages of heavy metals.

  7. Schiff base transition metal complexes for Suzuki–Miyaura cross ...

    Indian Academy of Sciences (India)

    RASHEEDA M ANSARI

    2017-08-19

    Aug 19, 2017 ... Abstract. Schiff base ligand and its complex with iron (Fe), cobalt (Co), nickel (Ni) and copper (Cu) ions were synthesized using 4-aminoacetophenone and salicylaldehyde and characterized. FTIR spectrum shows that bidentate coordination of metal ions with ligand where O, N are electron donating sites of ...

  8. Shear Zone-Hosted Base Metal Mineralization near Abraha ...

    African Journals Online (AJOL)

    Low-grade basement rocks of Neoproterozoic age with well developed shear zones and posttectonic granitic intrusives from Hawzien area of northern Ethiopia were studied for field characteristics, mineralogy, textures, alteration assemblages and geochemistry to explore their potential for base metal mineralization.

  9. Synthesis, spectral characterization of Schiff base transition metal ...

    Indian Academy of Sciences (India)

    TECS

    Synthesis, spectral characterization of Schiff base transition metal complexes: DNA cleavage and antimicrobial activity studies. N RAMAN,* J DHAVEETHU RAJA and A SAKTHIVEL. Department of Chemistry, VHNSN College, Virudhunagar 626 001 e-mail: drn_ raman@yahoo.co.in. MS received 1 May 2007; revised 7 July ...

  10. Schiff base transition metal complexes for Suzuki–Miyaura cross ...

    Indian Academy of Sciences (India)

    Schiff base ligand and its complex with iron (Fe), cobalt (Co), nickel (Ni) and copper (Cu) ions were synthesized using 4-aminoacetophenone and salicylaldehyde and characterized. FTIR spectrum shows that bidentate coordination of metal ions with ligand where O, N are electron donating sites of azomethine group.

  11. Phenalenyl-based ligand for transition metal chemistry: Application ...

    Indian Academy of Sciences (India)

    mandal@iiserkol.ac.in. Abstract. We report the synthesis and characterization of the first transition metal complex of a phenalenyl- based ligand. The reaction of Cu(OAc)2.H2O with 9-N-methylamino-1-N -methylimino-phenalene (LH) in 1:1.

  12. Tridentate Schiff base (ONO) transition metal complexes: Synthesis ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 128; Issue 7. Tridentate Schiff base (ONO) transition metal complexes: Synthesis, crystal structure, spectroscopic and larvicidal studies. SUNDARAMURTHY SANTHA LAKSHMI KANNAPPAN GEETHA P MAHADEVI. Regular Article Volume 128 Issue 7 July 2016 pp ...

  13. Schiff base transition metal complexes for Suzuki–Miyaura cross

    Indian Academy of Sciences (India)

    Schiff base ligand and its complex with iron (Fe), cobalt (Co), nickel (Ni) and copper (Cu) ions were synthesized using 4-aminoacetophenone and salicylaldehyde and characterized. FTIR spectrum shows that bidentate coordination of metal ions with ligand where O, N are electron donating sites of azomethine group.

  14. Indicator minerals as guides to base metal sulphide mineralisation ...

    Indian Academy of Sciences (India)

    Zn-bearing minerals that act as indicator minerals for base metal sulphide mineralization from the Proterozoic Betul Belt,central India with special emphasis on their genetic significance have been discussed.Sulphide mineralisation is hosted by the felsic volcanic rocks and has similarities with volcanic-hosted massive ...

  15. Evaluation of U-Zr hydride fuel for a thorium fuel cycle in an RTR concept

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kyung Taek; Cho, Nam Zin [Korea Advanced Institute of Science and Technology, Taejon (Korea, Republic of)

    1998-12-31

    In this paper, we performed a design study of a thorium fueled reactor according to the design concept of the Radkowsky Thorium Reactor (RTR) and evaluated its overall performance. To enhance its performance and alleviate its problems, we introduced a new metallic uranium fuel, uranium-zirconium hydride (U-ZrH{sub 1.6}), as a seed fuel. For comparison, typical ABB/CE-type PWR based on SYSTEM 80+and standard RTR-type thorium reactor were also studied. From the results of performance analysis, we could ascertain advantages of RTR-type thorium fueled reactor in proliferation resistance, fuel cycle economics, and back-end fuel cycle. Also, we found that enhancement of proliferation resistance and safer operating conditions may be achieved by using the U-ZrH{sub 1.6} fuel in the seed region without additional penalties in comparison with the standard RTR`s U-Zr fuel. 6 refs., 2 figs., 6 tabs. (Author)

  16. Arsenic speciation in natural water samples by coprecipitation-hydride generation atomic absorption spectrometry combination.

    Science.gov (United States)

    Tuzen, Mustafa; Citak, Demirhan; Mendil, Durali; Soylak, Mustafa

    2009-04-15

    A speciation procedure for As(III) and As(V) ions in environmental samples has been presented. As(V) was quantitatively recovered on aluminum hydroxide precipitate. After oxidation of As(III) by using dilute KMnO(4), the developed coprecipitation was applied to determination of total arsenic. Arsenic(III) was calculated as the difference between the total arsenic content and As(V) content. The determination of arsenic levels was performed by hydride generation atomic absorption spectrometry (HG-AAS). The analytical conditions for the quantitative recoveries of As(V) including pH, amount of aluminum as carrier element and sample volume, etc. on the presented coprecipitation system were investigated. The effects of some alkaline, earth alkaline, metal ions and also some anions were also examined. Preconcentration factor was calculated as 25. The detection limits (LOD) based on three times sigma of the blank (N: 21) for As(V) was 0.012 microg L(-1). The satisfactory results for the analysis of arsenic in NIST SRM 2711 Montana soil and LGC 6010 Hard drinking water certified reference materials for the validation of the method was obtained. The presented procedure was successfully applied to real samples including natural waters for arsenic speciation.

  17. XPS study on the surface reaction of uranium metal in H2 and H2-CO atmospheres

    International Nuclear Information System (INIS)

    Wang Xiaolin; Fu Yibei; Xie Renshou

    1996-04-01

    The surface reactions of uranium metal in H 2 and H 2 -CO atmospheres and the effects of temperature and CO on the hydriding reaction have been studied by X-ray photoelectron spectroscopy (XPS). The reaction between commercial H 2 and uranium metal at 25 degree C leads mainly to the further oxidation of surface layer of metal due to traces of water vapour. At 200 degree C, it may lead to the hydriding reaction of uranium and the hydriding increases with increasing the exposure of H 2 . Investigation indicates CO inhibits both the hydriding reaction and oxidation on the condition of H 2 -CO atmospheres. (13 refs., 10 figs.)

  18. Hydrometallurgical Approach for Leaching of Metals from Copper Rich Side Stream Originating from Base Metal Production

    Directory of Open Access Journals (Sweden)

    Udit Surya Mohanty

    2018-01-01

    Full Text Available Pyrometallurgical metal production results in side streams, such as dusts and slags, which are carriers of metals, though commonly containing lower metal concentrations compared to the main process stream. In order to improve the circular economy of metals, selective leaching of copper from an intermediate raw material originating from primary base metal production plant was investigated. The raw material investigated was rich in Cu (12.5%, Ni (2.6%, Zn (1.6%, and Fe (23.6% with the particle size D80 of 124 µm. The main compounds present were nickel ferrite (NiFe2O4, fayalite (Fe2SiO4, cuprite (Cu2O, and metallic copper. Leaching was studied in 16 different solutions. The results revealed that copper phases could be dissolved with high yield (>90% and selectivity towards nickel (Cu/Ni > 7 already at room temperature with the following solutions: 0.5 M HCl, 1.5 M HCl, 4 M NaOH, and 2 M HNO3. A concentration of 4 M NaOH provided a superior selectivity between Cu/Ni (340 and Cu/Zn (51. In addition, 1–2 M HNO3 and 0.5 M HCl solutions were shown to result in high Pb dissolution (>98%. Consequently, 0.5 M HCl leaching is suggested to provide a low temperature, low chemical consumption method for selective copper removal from the investigated side stream, resulting in PLS (pregnant leach solution which is a rich in Cu and lead free residue, also rich in Ni and Fe.

  19. Initiation of delayed hydride cracking in zirconium-2.5 wt% niobium

    International Nuclear Information System (INIS)

    Shalabi, A.F.; Meneley, D.A.

    1990-01-01

    Delayed hydride cracking in zirconium alloys is caused by the repeated precipitation and cracking of brittle hydrides. The growth kinetic of the hydrides have been measured to evaluate the critical hydride length for crack initiation. Hydride growth leading to crack initiation follows an approximate (time) 1/3 law on the average; crack propagation proceeds in a stepwise fashion. The critical length of hydride for crack initiation increases with stress and temperature. The fracture criterion for crack initiation predicts the critical hydride length at a give stress level and temperature. The fracture initiation mechanism of the hydride confirms the temperature effects for heating and cooling cycles under services loads. (orig.)

  20. Modeling of hydride precipitation and re-orientation

    Energy Technology Data Exchange (ETDEWEB)

    Tikare, Veena [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Weck, Philippe F. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mitchell, John Anthony [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-09-18

    In this report, we present a thermodynamic-­based model of hydride precipitation in Zr-based claddings. The model considers the state of the cladding immediately following drying, after removal from cooling-pools, and presents the evolution of precipitate formation upon cooling as follows: The pilgering process used to form Zr-based cladding imparts strong crystallographic and grain shape texture, with the basal plane of the hexagonal α-Zr grains being strongly aligned in the rolling-­direction and the grains are elongated with grain size being approximately twice as long parallel to the rolling direction, which is also the long axis of the tubular cladding, as it is in the orthogonal directions.

  1. Metallic component with a chromium carbide base protective coating

    International Nuclear Information System (INIS)

    Wolfla, T.A.; Tucker, R.C. Jr.

    1976-01-01

    The invention concerns a coating system to protect metal components in sodium and helium cooled nuclear reactors. It includes a nickel or iron based alloy metal substrate, a first coat formed on the substrate and comprising chromium carbides and a binder selected among the chromium-nickel, chromium-cobalt, chromium-iron alloys and the super-alloys, the first coating being between 25 and 380 microns thick, and a surface coating comprising pure chromium carbides and being between 12.5 and 125 microns thick [fr

  2. Chemical sensors based on molecularly modified metallic nanoparticles

    International Nuclear Information System (INIS)

    Haick, Hossam

    2007-01-01

    This paper presents a concise, although admittedly non-exhaustive, didactic review of some of the main concepts and approaches related to the use of molecularly modified metal nanoparticles in or as chemical sensors. This paper attempts to pull together different views and terminologies used in sensors based on molecularly modified metal nanoparticles, including those established upon electrochemical, optical, surface Plasmon resonance, piezoelectric and electrical transduction approaches. Finally, this paper discusses briefly the main advantages and disadvantages of each of the presented class of sensors. (review article)

  3. Energy reversible switching from amorphous metal based nanoelectromechanical switch

    KAUST Repository

    Mayet, Abdulilah M.

    2013-08-01

    We report observation of energy reversible switching from amorphous metal based nanoelectromechanical (NEM) switch. For ultra-low power electronics, NEM switches can be used as a complementary switching element in many nanoelectronic system applications. Its inherent zero power consumption because of mechanical detachment is an attractive feature. However, its operating voltage needs to be in the realm of 1 volt or lower. Appropriate design and lower Young\\'s modulus can contribute achieving lower operating voltage. Therefore, we have developed amorphous metal with low Young\\'s modulus and in this paper reporting the energy reversible switching from a laterally actuated double electrode NEM switch. © 2013 IEEE.

  4. Draft of M2 Report on Integration of the Hybrid Hydride Model into INL's MBM Framework for Review

    Energy Technology Data Exchange (ETDEWEB)

    Tikare, Veena; Weck, Philippe F.; Schultz, Peter Andrew; Clark, Blythe; Glazoff, Michael V.; Homer, Eric R.

    2014-07-01

    This report documents the development, demonstration and validation of a mesoscale, microstructural evolution model for simulation of zirconium hydride {delta}-ZrH{sub 1.5} precipitation in the cladding of used nuclear fuels that may occur during long-term dry storage. While the Zr-based claddings are manufactured free of any hydrogen, they absorb hydrogen during service, in the reactor by a process commonly termed ‘hydrogen pick-up’. The precipitation and growth of zirconium hydrides during dry storage is one of the most likely fuel rod integrity failure mechanisms either by embrittlement or delayed hydride cracking of the cladding. While the phenomenon is well documented and identified as a potential key failure mechanism during long-term dry storage (NUREG/CR-7116), the ability to actually predict the formation of hydrides is poor. The model being documented in this work is a computational capability for the prediction of hydride formation in different claddings of used nuclear fuels. This work supports the Used Fuel Disposition Research and Development Campaign in assessing the structural engineering performance of the cladding during and after long-term dry storage. This document demonstrates a basic hydride precipitation model that is built on a recently developed hybrid Potts-phase field model that combines elements of Potts-Monte Carlo and the phase-field models. The model capabilities are demonstrated along with the incorporation of the starting microstructure, thermodynamics of the Zr-H system and the hydride formation mechanism.

  5. Quantum-based Atomistic Simulation of Transition Metals

    International Nuclear Information System (INIS)

    Moriarty, J A; Benedict, L X; Glosli, J N; Hood, R Q; Orlikowski, D A; Patel, M V; Soderlind, P; Streitz, F H; Tang, M; Yang, L H

    2005-01-01

    First-principles generalized pseudopotential theory (GPT) provides a fundamental basis for transferable multi-ion interatomic potentials in d-electron transition metals within density-functional quantum mechanics. In mid-period bcc metals, where multi-ion angular forces are important to structural properties, simplified model GPT or MGPT potentials have been developed based on canonical d bands to allow analytic forms and large-scale atomistic simulations. Robust, advanced-generation MGPT potentials have now been obtained for Ta and Mo and successfully applied to a wide range of structural, thermodynamic, defect and mechanical properties at both ambient and extreme conditions of pressure and temperature. Recent algorithm improvements have also led to a more general matrix representation of MGPT beyond canonical bands allowing increased accuracy and extension to f-electron actinide metals, an order of magnitude increase in computational speed, and the current development of temperature-dependent potentials

  6. Hydrogen contribution to the thermal expansion of hydrided Zircaloy-4 cladding tubes

    Science.gov (United States)

    Hellouin de Menibus, Arthur; Guilbert, Thomas; Auzoux, Quentin; Toffolon, Caroline; Brachet, Jean-Christophe; Bechade, Jean-Luc

    2013-09-01

    This study is focused on the hydrogen-induced dimensional change or "growth" of zirconium alloys. Dilatometric experiments were performed on samples taken from a unirradiated Zircaloy-4 (Zy-4) fuel cladding loaded up to 940 wppm hydrogen. Samples were taken in the axial direction of the tube or at 45° to the axial and transverse directions. The results indicate that hydrogen-induced expansion is anisotropic. Theoretical expansion calculations were carried out considering the partition of hydrogen in solid solution and hydrides together with the material crystallographic texture. Hydride-induced expansion was calculated using two different assumptions reported in the literature, namely "Pure Lattice Transformation Strains" (PLTS) and "Pure Shear Transformation Strains" (PSTS). Calculations based on the PSTS hypothesis satisfactorily predicted the anisotropy observed in the dilatometric curve. Under this assumption, the contribution of hydrides to the axial growth of high-burnup Zy-4 cladding is limited to 12%. This study shows it is important to consider the respective contribution of hydrogen in both states, together with the material crystallographic texture, to understand the dilatometric behavior of hydrided zirconium alloys.

  7. Insertion, elimination and isomerisation of olefins at alkylaluminium hydride: an experimental and theoretical study.

    Science.gov (United States)

    Weliange, Nandita M; McGuinness, David S; Gardiner, Michael G; Patel, Jim

    2015-09-14

    The insertion, elimination and isomerisation of octenes with di-n-octylaluminium hydride [HAl(Oct)2], tri-n-octylaluminium [Al(Oct)3] and sec-octylaluminium species have been studied as individual steps in a putative aluminium based contrathermodynamic olefin isomerisation process. While elimination of 1-octene from [Al(Oct)3] is energetically unfavourable, the process is driven by high temperature vacuum distillation, leading to very high selectivity to 1-octene (>97%). At high conversions the [HAl(Oct)2] so obtained exists predominately as hydride-bridged cyclic oligomers, whereas at low conversion the mixed alkyl/hydride-bridged dimer [(Oct)2Al(μ-H)(μ-Oct)Al(Oct)2] is the major species. Di-n-octylaluminium hydride recovered after olefin elimination may be recycled and is active toward re-insertion of octenes. Internal octenes (cis- and trans-2-, 3- and 4-octene) only partially insert however, and even after prolonged heating there is no significant secondary to primary alkyl isomerisation evident.

  8. Structure and properties of transition metal-metalloid glasses based on refractory metals

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, W.L.; Williams, A.R.

    1979-01-01

    The structure and properties of several new transition metal-metalloid (TM/sub 1-x/M/sub x/) metallic glasses based on refractory transition metals (e.g. Mo, W, Ru etc.) have been systemically investigated as a function of composition. The structure of the alloys has been investigated by x-ray diffraction methods and measurements of superconducting properties, electrical resistivity, density, hardness, and mechanical behavior were made. These data are used in developing a novel description of the structure of TM/sub 1-x/M/sub x/ glasses. The experimental evidence suggests that an ideal amorphous phase forms at a specific composition x/sub c/ and that this phase has a well defined atomic short range order. For metallic glasses having x < x/sub c/ (metalloid poor glasses) vacancy-like defects form, which are characterized by the excess volume which they contribute to the glass. Another, as yet unspecified defect appears to form in glasses with x > x/sub c/. This novel picture can explain the variation of many properties of these glasses with metalloid concentration.

  9. Solid State NMR Studies of the Aluminum Hydride Phases

    Science.gov (United States)

    Hwang, Son-Jong; Bowman, R. C., Jr.; Graetz, Jason; Reilly, J. J.

    2006-01-01

    Several solid state NMR techniques including magic-angle-spinning (MAS) and multiple-quantum (MQ) MAS experiments have been used to characterize various AlH3 samples. MAS-NMR spectra for the 1H and 27Al nuclei have been obtained on a variety of AlH3 samples that include the (beta)- and (gamma)- phases as well as the most stable (alpha)-phase. While the dominant components in these NMR spectra correspond to the aluminum hydride phases, other species were found that include Al metal, molecular hydrogen (H2), as well as peaks that can be assigned to Al-O species in different configurations. The occurrence and concentration of these extraneous components are dependent upon the initial AlH3 phase composition and preparation procedures. Both the (beta)-AlH3 and (gamma)-AlH3 phases were found to generate substantial amounts of Al metal when the materials were stored at room temperature while the (alpha)-phase materials do not exhibit these changes.

  10. Ultra-sonic observation in niobium hydride precipitation

    International Nuclear Information System (INIS)

    Florencio, O.; Pinatti, Dyonisio G.

    1982-01-01

    The hidrogen embrittlement of exothermic ocluders, had been considered as due to applied stress induced hydride precipitates leading to brittle fracture. The results of simultaneous measurements of macroscopic deformation and elastic change due to hydride precipitation, using the ultrasonic pulse-echo technique are showed. THen it was tested the possibility of kinectis precipitation parameters evoluation. (Author) [pt

  11. Creating nanoshell on the surface of titanium hydride bead

    Directory of Open Access Journals (Sweden)

    PAVLENKO Vyacheslav Ivanovich

    2016-12-01

    Full Text Available The article presents data on the modification of titanium hydride bead by creating titanium nanoshell on its surface by ion-plasma vacuum magnetron sputtering. To apply titanium nanoshell on the titanium hydride bead vacuum coating plant of multifunctional nanocomposite coatings QVADRA 500 located in the center of high technology was used. Analysis of the micrographs of the original surface of titanium hydride bead showed that the microstructure of the surface is flat, smooth, in addition the analysis of the microstructure of material surface showed the presence of small porosity, roughness, mainly cavities, as well as shallow longitudinal cracks. The presence of oxide film in titanium hydride prevents the free release of hydrogen and fills some micro-cracks on the surface. Differential thermal analysis of both samples was conducted to determine the thermal stability of the initial titanium hydride bead and bead with applied titanium nanoshell. Hydrogen thermal desorption spectra of the samples of the initial titanium hydride bead and bead with applied titanium nanoshell show different thermal stability of compared materials in the temperature range from 550 to 860о C. Titanium nanoshells applied in this way allows increasing the heat resistance of titanium hydride bead – the temperature of starting decomposition is 695о C and temperature when decomposition finishes is more than 1000о C. Modified in this way titanium hydride bead can be used as a filler in the radiation protective materials used in the construction or upgrading biological protection of nuclear power plants.

  12. ORNL Interim Progress Report on Hydride Reorientation CIRFT Tests

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jy-An John [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Yan, Yong [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wang, Hong [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-10-28

    A systematic study of H. B. Robinson (HBR) high burnup spent nuclear fuel (SNF) vibration integrity was performed in Phase I project under simulated transportation environments, using the Cyclic Integrated Reversible-Bending Fatigue Tester (CIRFT) hot cell testing technology developed at Oak Ridge National Laboratory in 2013–14. The data analysis on the as-irradiated HBR SNF rods demonstrated that the load amplitude is the dominant factor that controls the fatigue life of bending rods. However, previous studies have shown that the hydrogen content and hydride morphology has an important effect on zirconium alloy mechanical properties. To address the effect of radial hydrides in SNF rods, in Phase II a test procedure was developed to simulate the effects of elevated temperatures, pressures, and stresses during transfer-drying operations. Pressurized and sealed fuel segments were heated to the target temperature for a preset hold time and slow-cooled at a controlled rate. The procedure was applied to both non-irradiated/prehydrided and high-burnup Zircaloy-4 fueled cladding segments using the Nuclear Regulatory Commission-recommended 400°C maximum temperature limit at various cooling rates. Before testing high-burnup cladding, four out-of-cell tests were conducted to optimize the hydride reorientation (R) test condition with pre-hydride Zircaloy-4 cladding, which has the same geometry as the high burnup fuel samples. Test HR-HBR#1 was conducted at the maximum hoop stress of 145 MPa, at a 400°C maximum temperature and a 5°C/h cooling rate. On the other hand, thermal cycling was performed for tests HR-HBR#2, HR-HBR#3, and HR-HBR#4 to generate more radial hydrides. It is clear that thermal cycling increases the ratio of the radial hydride to circumferential hydrides. The internal pressure also has a significant effect on the radial hydride morphology. This report describes a procedure and experimental results of the four out-of-cell hydride reorientation tests of

  13. Structural complexity in the rare earth metallocene hydride complexes, [(C₅Me₅)₂LnH]₂.

    Science.gov (United States)

    Liu, Shan-Shan; Gao, Song; Ziller, Joseph W; Evans, William J

    2014-11-07

    X-ray crystallographic data obtained on the metallocene hydrides, [(C5Me5)2LnH]2 (Ln = Gd, Tb, and Dy), of interest for their magnetic properties, have revealed unexpected structural variability in a closely related series of rare earth complexes that can complicate magnetic analysis. Crystals of the two larger metals, Gd and Tb, were structurally straightforward and isomorphous with crystals of [(C5Me5)2SmH]2. However, only for Tb were the locations of the hydride ligands in this structural type identified for the first time and found to be consistent with a (C5Me5)2Ln(μ-H)2Ln(C5Me5)2 structure. In contrast, for Ln = Dy, the [(C5Me5)2H](3-) ligand set does not appear to have one optimum crystal structure. Two different types of crystals and one other solid form of [(C5Me5)2DyH]2 were repeatedly isolated upon crystallization and demonstrated that the structure of any particular crystalline sample selected for magnetic analysis could be variable. Asymmetric structures with a single hydride bridge, (C5Me5)2Dy(μ-H)DyH(C5Me5)2, were identifiable for the two crystalline forms. This demonstrated uncertainty in structure and highlights the importance of having a coordination environment with one preferred form for magnetically interesting complexes.

  14. Zr-Co hydride stability against heating - cooling cycles in a closed system

    International Nuclear Information System (INIS)

    Meleg, T.; Ducu, C.; Malinovschi, V.; Iosub, I.

    2004-01-01

    The reversible absorption-desorption of hydrogen isotopes in metals can be affected during repeated heating cycles by the presence of impurity gases, such as O 2 , H 2 O, CO, CO 2 or by the changes in characteristics of alloys in the presence of hydrogen in the system. Changes of hydrogen absorption-desorption characteristics of ZrCo alloy, during repeated heating-cooling, in a closed system has been studied. A measure of reversibility of hydriding reaction is the stability of equilibrium pressure at limiting temperatures of the cycles. After 43 heating cycles, between 100 and 6500 deg C (the pressure ranging between 2 and 0.3 bar), a reduction of storing capacity of 18% was observed. The cycling experiments carried out on Zr-Co alloy hydride reveals the presence of the absorption-desorption disproportion process. The effects of this process on the storing capacity are not as drastic as mentioned by other authors. The existing of a intermediate hydride reversible phase was made evident what suggest a mechanism a lot more complex of the absorption-desorption processes in the given experimental condition, the entire storing capacity of the alloy remaining unchanged. (authors)

  15. Surface melting of deuterium hydride thick films

    OpenAIRE

    Zeppenfeld, P.; Bienfait, M.; Feng Chuan Liu,; Vilches, O.E.; Coddens, G.

    1990-01-01

    Quasi-elastic neutron scattering has been used to measure, below the bulk melting temperature, the thickness and the diffusion coefficient of the mobile surface layer of 8 and 10 layer thick films of deuterium hydride (HD) condensed on MgO(100). The measurements show that the close-packed surface of solid HD surface melts gradually, with the thickness of the melted layer increasing from 0.5 to 6 molecular layers as the temperature rises from 4 K to 0.05 K below the bulk melting temperature. T...

  16. Acceptorless dehydrogenation of small molecules through cooperative base metal catalysis.

    Science.gov (United States)

    West, Julian G; Huang, David; Sorensen, Erik J

    2015-12-11

    The dehydrogenation of unactivated alkanes is an important transformation both in industrial and biological systems. Recent efforts towards this reaction have revolved around high temperature, organometallic C-H activation by noble metal catalysts that produce alkenes and hydrogen gas as the sole products. Conversely, natural desaturase systems proceed through stepwise hydrogen atom transfer at physiological temperature; however, these transformations require a terminal oxidant. Here we show combining tetra-n-butylammonium decatungstate (TBADT) and cobaloxime pyridine chloride (COPC) can catalytically dehydrogenate unactivated alkanes and alcohols under near-UV irradiation at room temperature with hydrogen as the sole by-product. This noble metal-free process follows a nature-inspired pathway of high- and low-energy hydrogen atom abstractions. The hydrogen evolution ability of cobaloximes is leveraged to render the system catalytic, with cooperative turnover numbers up to 48 and yields up to 83%. Our results demonstrate how cooperative base metal catalysis can achieve transformations previously restricted to precious metal catalysts.

  17. Molecularly Imprinted Polymer/Metal Organic Framework Based Chemical Sensors

    Directory of Open Access Journals (Sweden)

    Zhenzhong Guo

    2016-10-01

    Full Text Available The present review describes recent advances in the concept of molecular imprinting using metal organic frameworks (MOF for development of chemical sensors. Two main strategies regarding the fabrication, performance and applications of recent sensors based on molecularly imprinted polymers associated with MOF are presented: molecularly imprinted MOF films and molecularly imprinted core-shell nanoparticles using MOF as core. The associated transduction modes are also discussed. A brief conclusion and future expectations are described herein.

  18. Development of a thermodynamic data base for selected heavy metals

    International Nuclear Information System (INIS)

    Hageman, Sven; Scharge, Tina; Willms, Thomas

    2015-07-01

    The report on the development of a thermodynamic data base for selected heavy metals covers the description of experimental methods, the thermodynamic model for chromate, the thermodynamic model for dichromate, the thermodynamic model for manganese (II), the thermodynamic model for cobalt, the thermodynamic model for nickel, the thermodynamic model for copper (I), the thermodynamic model for copper(II), the thermodynamic model for mercury (0) and mercury (I), the thermodynamic model for mercury (III), the thermodynamic model for arsenate.

  19. Magnetic properties of fcc Ni-based transition metal alloy

    Czech Academy of Sciences Publication Activity Database

    Kudrnovský, Josef; Drchal, Václav

    2009-01-01

    Roč. 100, č. 9 (2009), s. 1193-1196 ISSN 1862-5282 R&D Projects: GA MŠk OC 150; GA AV ČR IAA100100616 Institutional research plan: CEZ:AV0Z10100520 Keywords : transition metal alloys * Ni-based * pair exchange interactions * Curie temperatures * renormalized RPA Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.862, year: 2009

  20. Nanoindentation measurements of the mechanical properties of zirconium matrix and hydrides in unirradiated pre-hydrided nuclear fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Rico, A., E-mail: alvaro.rico@urjc.es [DIMME, Departamento de Tecnología Mecánica, Universidad Rey Juan Carlos, c/Tulipán s/n, E-28933 Móstoles, Madrid (Spain); Martin-Rengel, M.A., E-mail: mamartin@mater.upm.es [Departamento de Ciencia de los Materiales, UPM, E.T.S.I. Caminos, Canales y Puertos, Profesor Aranguren SN, E-28040 Madrid (Spain); Ruiz-Hervias, J., E-mail: jesus.ruiz@upm.es [Departamento de Ciencia de los Materiales, UPM, E.T.S.I. Caminos, Canales y Puertos, Profesor Aranguren SN, E-28040 Madrid (Spain); Rodriguez, J. [DIMME, Departamento de Tecnología Mecánica, Universidad Rey Juan Carlos, c/Tulipán s/n, E-28933 Móstoles, Madrid (Spain); Gomez-Sanchez, F.J., E-mail: javier.gomez@amsimulation.com [Advanced Material Simulation, S.L, Madrid (Spain)

    2014-09-15

    It is well known that the mechanical properties of the nuclear fuel cladding may be affected by the presence of hydrides. The average mechanical properties of hydrided cladding have been extensively investigated from a macroscopic point of view. In addition, the mechanical and fracture properties of bulk hydride samples fabricated from zirconium plates have also been reported. In this paper, Young’s modulus, hardness and yield stress are measured for each phase, namely zirconium hydrides and matrix, of pre-hydrided nuclear fuel cladding. To this end, nanoindentation tests were performed on ZIRLO samples in as-received state, on a hydride blister and in samples with 150 and 1200 ppm of hydrogen homogeneously distributed along the hoop direction of the cladding. The results show that the measured mechanical properties of the zirconium hydrides and ZIRLO matrix (Young’s modulus, hardness and yield stress) are rather similar. From the experimental data, the hydride volume fraction in the cladding samples with 150 and 1200 ppm was estimated and the average mechanical properties were calculated by means of the rule of mixtures. These values were compared with those obtained from ring compression tests. Good agreement between the results obtained by both methods was found.

  1. Nanoindentation measurements of the mechanical properties of zirconium matrix and hydrides in unirradiated pre-hydrided nuclear fuel cladding

    International Nuclear Information System (INIS)

    Rico, A.; Martin-Rengel, M.A.; Ruiz-Hervias, J.; Rodriguez, J.; Gomez-Sanchez, F.J.

    2014-01-01

    It is well known that the mechanical properties of the nuclear fuel cladding may be affected by the presence of hydrides. The average mechanical properties of hydrided cladding have been extensively investigated from a macroscopic point of view. In addition, the mechanical and fracture properties of bulk hydride samples fabricated from zirconium plates have also been reported. In this paper, Young’s modulus, hardness and yield stress are measured for each phase, namely zirconium hydrides and matrix, of pre-hydrided nuclear fuel cladding. To this end, nanoindentation tests were performed on ZIRLO samples in as-received state, on a hydride blister and in samples with 150 and 1200 ppm of hydrogen homogeneously distributed along the hoop direction of the cladding. The results show that the measured mechanical properties of the zirconium hydrides and ZIRLO matrix (Young’s modulus, hardness and yield stress) are rather similar. From the experimental data, the hydride volume fraction in the cladding samples with 150 and 1200 ppm was estimated and the average mechanical properties were calculated by means of the rule of mixtures. These values were compared with those obtained from ring compression tests. Good agreement between the results obtained by both methods was found

  2. In-Bed Accountability Development for a Passively Cooled, Electrically Heated Hydride (PACE) Bed

    International Nuclear Information System (INIS)

    Klein, J.E.

    2005-01-01

    A nominal 1500 STP-L PAssively Cooled, Electrically heated hydride (PACE) Bed has been developed for implementation into a new Savannah River Site tritium project. The 1.2 meter (four-foot) long process vessel contains on internal 'U-tube' for tritium In-Bed Accountability (IBA) measurements. IBA will be performed on six, 12.6 kg production metal hydride storage beds.IBA tests were done on a prototype bed using electric heaters to simulate the radiolytic decay of tritium. Tests had gas flows from 10 to 100 SLPM through the U-tube or 100 SLPM through the bed's vacuum jacket. IBA inventory measurement errors at the 95% confidence level were calculated using the correlation of IBA gas temperature rise, or (hydride) bed temperature rise above ambient temperature, versus simulated tritium inventory.Prototype bed IBA inventory errors at 100 SLPM were the largest for gas flows through the vacuum jacket: 15.2 grams for the bed temperature rise and 11.5 grams for the gas temperature rise. For a 100 SLPM U-tube flow, the inventory error was 2.5 grams using bed temperature rise and 1.6 grams using gas temperature rise. For 50 to 100 SLPM U-tube flows, the IBA gas temperature rise inventory errors were nominally one to two grams that increased above four grams for flows less than 50 SLPM. For 50 to 100 SLPM U-tube flows, the IBA bed temperature rise inventory errors were greater than the gas temperature rise errors, but similar errors were found for both methods at gas flows of 20, 30, and 40 SLPM.Electric heater IBA tests were done for six production hydride beds using a 45 SLPM U-tube gas flow. Of the duplicate runs performed on these beds, five of the six beds produced IBA inventory errors of approximately three grams: consistent with results obtained in the laboratory prototype tests

  3. In-Bed Accountability Development for a Passively Cooled, Electrically Heated Hydride (PACE) Bed

    International Nuclear Information System (INIS)

    KLEIN, JAMES

    2004-01-01

    A nominal 1500 STP-L PAssively Cooled, Electrically heated hydride (PACE) Bed has been developed for implementation into a new Savannah River Site tritium project. The 1.2 meter (four-foot) long process vessel contains an internal ''U-tube'' for tritium In-Bed Accountability (IBA) measurements. IBA will be performed on six, 12.6 kg production metal hydride storage beds. IBA tests were done on a prototype bed using electric heaters to simulate the radiolytic decay of tritium. Tests had gas flows from 10 to 100 SLPM through the U-tube or 100 SLPM through the bed's vacuum jacket. IBA inventory measurement errors at the 95 percent confidence level were calculated using the correlation of IBA gas temperature rise, or (hydride) bed temperature rise above ambient temperature, versus simulated tritium inventory. Prototype bed IBA inventory errors at 100 SLPM were the largest for gas flows through the vacuum jacket: 15.2 grams for the bed temperature rise and 11.5 grams for the gas temperature rise. For a 100 SLPM U-tube flow, the inventory error was 2.5 grams using bed temperature rise and 1.6 grams using gas temperature rise. For 50 to 100 SLPM U-tube flows, the IBA gas temperature rise inventory errors were nominally one to two grams that increased above four grams for flows less than 50 SLPM. For 50 to 100 SLPM U-tube flows, the IBA bed temperature rise inventory errors were greater than the gas temperature rise errors, but similar errors were found for both methods at gas flows of 20, 30, and 40 SLPM. Electric heater IBA tests were done for six production hydride beds using a 45 SLPM U-tube gas flow. Of the duplicate runs performed on these beds, five of the six beds produced IBA inventory errors of approximately three grams: consistent with results obtained in the laboratory prototype tests

  4. Parametrization of a reactive force field for aluminum hydride.

    Science.gov (United States)

    Ojwang, J G O; van Santen, Rutger A; Kramer, Gert Jan; van Duin, Adri C T; Goddard, William A

    2009-07-28

    A reactive force field, REAXFF, for aluminum hydride has been developed based on density functional theory (DFT) derived data. REAXFF(AlH(3)) is used to study the dynamics governing hydrogen desorption in AlH(3). During the abstraction process of surface molecular hydrogen charge transfer is found to be well described by REAXFF(AlH(3)). Results on heat of desorption versus cluster size show that there is a strong dependence of the heat of desorption on the particle size, which implies that nanostructuring enhances desorption process. In the gas phase, it was observed that small alane clusters agglomerated into a bigger cluster. After agglomeration molecular hydrogen was desorbed from the structure. This thermodynamically driven spontaneous agglomeration followed by desorption of molecular hydrogen provides a mechanism on how mobile alane clusters can facilitate the mass transport of aluminum atoms during the thermal decomposition of NaAlH(4).

  5. Modelling zirconium hydrides using the special quasirandom structure approach

    KAUST Repository

    Wang, Hao

    2013-01-01

    The study of the structure and properties of zirconium hydrides is important for understanding the embrittlement of zirconium alloys used as cladding in light water nuclear reactors. Simulation of the defect processes is complicated due to the random distribution of the hydrogen atoms. We propose the use of the special quasirandom structure approach as a computationally efficient way to describe this random distribution. We have generated six special quasirandom structure cells based on face centered cubic and face centered tetragonal unit cells to describe ZrH2-x (x = 0.25-0.5). Using density functional theory calculations we investigate the mechanical properties, stability, and electronic structure of the alloys. © the Owner Societies 2013.

  6. Oxidation state specific generation of arsines from methylated arsenicals based on L-cysteine treatment in buffered media for speciation analysis by hydride generation-automated cryotrapping-gas chromatography-atomic absorption spectrometry with the multiatomizer

    International Nuclear Information System (INIS)

    Matousek, Tomas; Hernandez-Zavala, Araceli; Svoboda, Milan; Langrova, Lenka; Adair, Blakely M.; Drobna, Zuzana; Thomas, David J.; Styblo, Miroslav; Dedina, Jiri

    2008-01-01

    An automated system for hydride generation-cryotrapping-gas chromatography-atomic absorption spectrometry with the multiatomizer is described. Arsines are preconcentrated and separated in a Chromosorb filled U-tube. An automated cryotrapping unit, employing nitrogen gas formed upon heating in the detection phase for the displacement of the cooling liquid nitrogen, has been developed. The conditions for separation of arsines in a Chromosorb filled U-tube have been optimized. A complete separation of signals from arsine, methylarsine, dimethylarsine, and trimethylarsine has been achieved within a 60 s reading window. The limits of detection for methylated arsenicals tested were 4 ng l -1 . Selective hydride generation is applied for the oxidation state specific speciation analysis of inorganic and methylated arsenicals. The arsines are generated either exclusively from trivalent or from both tri- and pentavalent inorganic and methylated arsenicals depending on the presence of L-cysteine as a prereductant and/or reaction modifier. A TRIS buffer reaction medium is proposed to overcome narrow optimum concentration range observed for the L-cysteine modified reaction in HCl medium. The system provides uniform peak area sensitivity for all As species. Consequently, the calibration with a single form of As is possible. This method permits a high-throughput speciation analysis of metabolites of inorganic arsenic in relatively complex biological matrices such as cell culture systems without sample pretreatment, thus preserving the distribution of tri- and pentavalent species

  7. ;Study of secondary hydriding at high temperature in zirconium based nuclear fuel cladding tubes by coupling information from neutron radiography/tomography, electron probe micro analysis, micro elastic recoil detection analysis and laser induced breakdown spectroscopy microprobe

    Science.gov (United States)

    Brachet, Jean-Christophe; Hamon, Didier; Le Saux, Matthieu; Vandenberghe, Valérie; Toffolon-Masclet, Caroline; Rouesne, Elodie; Urvoy, Stéphane; Béchade, Jean-Luc; Raepsaet, Caroline; Lacour, Jean-Luc; Bayon, Guy; Ott, Frédéric

    2017-05-01

    This paper gives an overview of a multi-scale experimental study of the secondary hydriding phenomena that can occur in nuclear fuel cladding materials exposed to steam at high temperature (HT) after having burst (loss-of-coolant accident conditions). By coupling information from several facilities, including neutron radiography/tomography, electron probe micro analysis, micro elastic recoil detection analysis and micro laser induced breakdown spectroscopy, it was possible to map quantitatively, at different scales, the distribution of oxygen and hydrogen within M5™ clad segments having experienced ballooning and burst at HT followed by steam oxidation at 1100 and 1200 °C and final direct water quenching down to room temperature. The results were very reproducible and it was confirmed that internal oxidation and secondary hydriding at HT of a cladding after burst can lead to strong axial and azimuthal gradients of hydrogen and oxygen concentrations, reaching 3000-4000 wt ppm and 1.0-1.2 wt% respectively within the β phase layer for the investigated conditions. Consistent with thermodynamic and kinetics considerations, oxygen diffusion into the prior-β layer was enhanced in the regions highly enriched in hydrogen, where the α(O) phase layer is thinner and the prior-β layer thicker. Finally the induced post-quenching hardening of the prior-β layer was mainly related to the local oxygen enrichment. Hardening directly induced by hydrogen was much less significant.

  8. Oxidation state specific generation of arsines from methylated arsenicals based on L-cysteine treatment in buffered media for speciation analysis by hydride generation-automated cryotrapping-gas chromatography-atomic absorption spectrometry with the multiatomizer

    Science.gov (United States)

    Matoušek, Tomáš; Hernández-Zavala, Araceli; Svoboda, Milan; Langrová, Lenka; Adair, Blakely M.; Drobná, Zuzana; Thomas, David J.; Stýblo, Miroslav; Dědina, Jiří

    2008-03-01

    An automated system for hydride generation-cryotrapping-gas chromatography-atomic absorption spectrometry with the multiatomizer is described. Arsines are preconcentrated and separated in a Chromosorb filled U-tube. An automated cryotrapping unit, employing nitrogen gas formed upon heating in the detection phase for the displacement of the cooling liquid nitrogen, has been developed. The conditions for separation of arsines in a Chromosorb filled U-tube have been optimized. A complete separation of signals from arsine, methylarsine, dimethylarsine, and trimethylarsine has been achieved within a 60 s reading window. The limits of detection for methylated arsenicals tested were 4 ng l - 1 . Selective hydride generation is applied for the oxidation state specific speciation analysis of inorganic and methylated arsenicals. The arsines are generated either exclusively from trivalent or from both tri- and pentavalent inorganic and methylated arsenicals depending on the presence of L-cysteine as a prereductant and/or reaction modifier. A TRIS buffer reaction medium is proposed to overcome narrow optimum concentration range observed for the L-cysteine modified reaction in HCl medium. The system provides uniform peak area sensitivity for all As species. Consequently, the calibration with a single form of As is possible. This method permits a high-throughput speciation analysis of metabolites of inorganic arsenic in relatively complex biological matrices such as cell culture systems without sample pretreatment, thus preserving the distribution of tri- and pentavalent species.

  9. GRAPHENE BASED METAL AND METAL OXIDE NANOCOMPOSITES: SYNTHESIS, PROPERTIES AND THEIR APPLICATIONS

    KAUST Repository

    Khan, Mujeeb

    2015-06-11

    Graphene, an atomically thin two-dimensional carbonaceous material, has attracted tremendous attention in the scientific community, due to its exceptional electronic, electrical, and mechanical properties. Indeed, with the recent explosion of methods for a large-scale synthesis of graphene, the number of publications related to graphene and other graphene based materials have increased exponentially. Particularly the easy preparation of graphene like materials, such as, highly reduced graphene oxide (HRG) via reduction of graphite oxide (GO), offers a wide range of possibilities for the preparation of graphene based inorganic nanocomposites by the incorporation of various functional nanomaterials for a variety of applications. In this review, we discuss the current development of graphene based metal and metal oxide nanocomposites, with a detailed account of their synthesis and properties. Specifically, much attention has been given to their wide range of applications in various fields, including, electronics, electrochemical and electrical fields. Overall, by the inclusion of various references, this review covers in detail aspects of the graphene-based inorganic nanocomposites.

  10. Neutron scattering on hydrides of intermetallic compounds

    International Nuclear Information System (INIS)

    Hempelmann, R.

    1986-11-01

    This review surveys the application of neutron scattering for the investigation of the microscopic behaviour of hydrogen in intermetallic compounds. This concerns the structure as well as the dynamics. Neutron diffraction experiments were performed on Ti 1.2 Mn 1.8 D 3 and LaNi 5 D 7 . In the latter case the dominant nickel scattering could be suppressed by isotope substitution with 60 Ni, and the anisotropic broadening of the Bragg peaks could be modelled in a correspondingly modified Rietveld-profile refinement. For the investigation of hydrogen diffusion in intermetallic hydrides by means of quasielastic neutron scattering an iterative multiple scattering correction procedure has been developped which allows a reliable determination of hydrogen diffusion coefficients. The mechanism of hydrogen diffusion in intermetallic hydrides comprises three types of jumps: escape jumps out of energetically lower interstitials, transport jumps over the energetically higher sites and locally restricted jump processes. For Ti 1.2 Mn 1.8 H 3 the main features of the diffusional behaviour could be described quantitatively in the framework of a three state model. By means of neutron vibrational spectroscopy information about the occupied hydrogen sites and thus about the structure can be extracted from the symmetry splitting of the vibrational modes. In this way we showed that in α-LaNi 5 H x , La 2 Ni 4 -octahedral and La 2 Ni 2 -tetrahedral interstitial sites are occupied. (orig./GG)

  11. Solute hydrogen and hydride phase implications on the plasticity of zirconium and titanium alloys: a review and some recent advances.

    Science.gov (United States)

    Conforto, E; Guillot, I; Feaugas, X

    2017-07-28

    In this contribution, we propose a review of the possible implications of hydrogen on mechanical behaviour of Zr and Ti alloys with emphasis on the mechanisms of plasticity and strain hardening. Recent advances on the impact of oxygen and hydrogen on the activation volume show that oxygen content hinders creep but hydrogen partially screens this effect. Both aspects are discussed in terms of a locking-unlocking model of the screw dislocation mobility in prismatic slip. Additionally, possible extension of this behaviour is suggested for the [Formula: see text] pyramidal slip. The low hydrogen solubility in both Zr and Ti leads in many cases to hydride precipitation. The nature of these phases depends on the hydrogen content and can show crystallographic orientation relationships with the hexagonal compact structure of the alloys. Some advances on the thermal stability of these phases are illustrated and discussed in relation with the deepening of the misfit dislocations. Under tensile loading, we showed that hydrides enhance the hardening process in relation with internal stress due to strain incompatibilities between the Zr and Ti matrix and hydride phases. Different plastic yielding processes of hydrides were identified, which progressively reduce these strain incompatibilities.This article is part of the themed issue 'The challenges of hydrogen and metals'. © 2017 The Author(s).

  12. Hydrogen mobility in Tisub(1.2)Mnsub(1.8) hydride: a quasi-elastic neutron scattering study

    International Nuclear Information System (INIS)

    Hempelmann, R.; Richter, D.

    1982-01-01

    The authors used high resolution quasi-elastic neutron scattering to investigate hydrogen diffusion in the intermetallic Laves phase hydride Tisub(1.2)Mnsub(1.8)H 3 at momentum transfers Q between 0.17 and 1.95 A - 1 in the temperature range 100-375 K. Two components in the spectra were resolved at small Q and three components at large Q. On a microscopic scale the hydrogen dynamics in intermetallic hydrides is governed by the existence of energetically different interstitial sites and by blocking effects due to the high hydrogen concentration. This behaviour is described in terms of three motional states where the hydrogen atoms (i) propagate over the energetically higher sites, (ii) are at rest in structural traps and (iii) exhibit a rapid local motion. The authors performed a successful quantitative evaluation of the quasi-elastic neutron scattering data in terms of this three-state model, which may have general validity for hydrogen diffusion in intermetallic hydrides, and obtained among other results the effective hydrogen self-diffusion coefficient and experimental evidence that the third state corresponds to the hydrogen back jumps theoretically predicted for metal hydrides with high hydrogen concentrations. (Auth.)

  13. Experimental study on the delivery rate and recovery rate of ZrCo hydride for ITER application

    International Nuclear Information System (INIS)

    Shim, M.; Chung, H.; Yoshida, H.; Kim, K.; Cho, S.; Lee, E.; Chang, M.

    2008-01-01

    To investigate the key design aspects of the storage and delivery system (SDS) bed in ITER, rates of a hydriding, de-hydriding and isotope effects on the H/D composition during a rapid delivery were experimentally investigated by using small tube-type reactors with different packing heights. Hydrogen recovery times for a shorter packing-height bed (20-40 mm) decreased exponentially with an increasing initial hydrogen pressure, but increased by approximately two orders of a magnitude in a longer packing-height bed (145 mm). De-hydriding rate increases exponentially with an increase in the relative heating area per unit weight of ZrCo powder and decreases in the packing-height of ZrCo hydride. Continuous isotopic compositional change inevitably occurs during the entire delivery time due to the known isotope effect in the metal-hydrogen systems. To overcome the isotope effect during a delivery from the SDS beds, an alternative operation method was suggested for the fuel supply from the SDS. (authors)

  14. Hydride-catalyzed corrosion of plutonium by air: Initiation by plutonium monoxide monohydride

    Energy Technology Data Exchange (ETDEWEB)

    Allen, T.H.; Haschke, J.M.

    1998-06-01

    Chemistry and kinetics of air reactions with plutonium monoxide monohydride (PuOH) and with mixtures of the oxide hydride and plutonium metal are defined by results of pressure-volume-temperature (PVT) measurements. Test with specimens prepared by total and partial corrosion of plutonium in 0.05 M sodium chloride solution show that reaction of residual water continues to generate H{sub 2} after liquid water is removed by evacuation. Rapid exposure of PuOH to air at room temperature does not produce a detectable reaction, but similar exposure of a partially corroded metal sample containing Pu and PuOH results in hydride (PuH{sub x})-catalyzed corrosion of the residual Pu. Kinetics of he first-order reaction resulting in formation of the PuH{sub x} catalyst and of the indiscriminate reaction of N{sub 2} and O{sub 2} with plutonium metal are defined. The rate of the catalyzed Pu+air reaction is independent of temperature (E{sub a} = 0), varies as the square of air pressure, and equals 0.78 {+-} 0.03 g Pu/cm{sup 2} min in air at one atmosphere. The absence of pyrophoric behavior for PuOH and differences in the reactivities of PuOH and PuOH + Pu mixtures are attributed to kinetic control by gaseous reaction products. Thermodynamic properties of the oxide hydride are estimated, particle size distributions of corrosion products are presented, and potential hazards associated with products formed by aqueous corrosion of plutonium are discussed.

  15. Theoretical bases on thermal stability of layered metallic systems

    International Nuclear Information System (INIS)

    Kadyrzhanov, K.K.; Rusakov, V.S.; Turkebaev, T.Eh.; Zhankadamova, A.M.; Ensebaeva, M.Z.

    2003-01-01

    The paper is dedicated to implementation of the theoretical bases for layered metallic systems thermal stabilization. The theory is based on the stabilization mechanism expense of the intermediate two-phase field formation. As parameters of calculated model are coefficients of mutual diffusion and inclusions sizes of generated phases in two-phase fields. The stabilization time dependence for beryllium-iron (Be (1.1 μm)-Fe(5.5 μm)) layered system from iron and beryllium diffusion coefficients, and inclusions sizes is shown as an example. Conclusion about possible mechanisms change at transition from microscopic consideration to the nano-crystal physics level is given

  16. Heavy metals contamination and their risk assessment around the abandoned base metals and Au-Ag mines in Korea

    Science.gov (United States)

    Chon, Hyo-Taek

    2017-04-01

    Heavy metals contamination in the areas of abandoned Au-Ag and base metal mines in Korea was investigated in order to assess the level of metal pollution, and to draw general summaries about the fate of toxic heavy metals in different environments. Efforts have been made to compare the level of heavy metals, chemical forms, and plant uptake of heavy metals in each mine site. In the base-metals mine areas, significant levels of Cd, Cu, Pb and Zn were found in mine dump soils developed over mine waste materials and tailings. Leafy vegetables tend to accumulate heavy metals(in particular, Cd and Zn) higher than other crop plants, and high metal concentrations in rice crops may affect the local residents' health. In the Au-Ag mining areas, arsenic would be the most characteristic contaminant in the nearby environment. Arsenic and heavy metals were found to be mainly associated with sulfide gangue minerals, and the mobility of these metals would be enhanced by the effect of continuing weathering and oxidation. According to the sequential extraction of metals in soils, most heavy metals were identified as non-residual chemical forms, and those are very susceptible to the change of ambient conditions of a nearby environment. The concept of pollution index(PI) of soils gives important information on the extent and degree of multi-element contamination, and can be applied to the evaluation of mine soils before their agricultural use and remediation. The risk assessment process comprising exposure assessment, dose-response assessment, and risk characterization was discussed, and the results of non-cancer risk of As, Cd, and Zn, and those of cancer risk of As were suggested.

  17. Constructing metal-based structures on nanopatterned etched silicon.

    Science.gov (United States)

    Zhang, Xiaojiang; Qiao, Yinghong; Xu, Lina; Buriak, Jillian M

    2011-06-28

    Silicon surfaces with nanoscale etched patterns were obtained using polystyrene-block-poly(4-vinylpyridine) (PS-b-P4VP) block copolymer films as templates, followed by brief immersion in HF(aq). The resulting interfaces were comprised of pseudohexagonal arrays of pits on the silicon, whose shapes depended upon the chosen silicon orientation. The top unetched face of silicon remains capped by the native oxide, and the pit interiors are terminated by Si-H(x). Selective chemical functionalization via these two chemical handles was demonstrated to be a viable approach toward building nanostructured metal oxide and metal features within these silicon pits and on the top face. Using a series of interfacial chemical reactions, including oxidation (of Si-H(x)-terminated regions), hydrosilylation, and alkoxysilane-based chemistry on silicon oxide, the growth of metal-based structures can be spatially controlled. In the first approach, titania nanobowls were grown within the etch pits, and in the second, galvanic displacement was used to produce gold nanoparticles either within the etch pits, on the top silicon face, or both.

  18. High pressure die casting of Fe-based metallic glass

    Science.gov (United States)

    Ramasamy, Parthiban; Szabo, Attila; Borzel, Stefan; Eckert, Jürgen; Stoica, Mihai; Bárdos, András

    2016-10-01

    Soft ferromagnetic Fe-based bulk metallic glass key-shaped specimens with a maximum and minimum width of 25.4 and 5 mm, respectively, were successfully produced using a high pressure die casting (HPDC) method, The influence of die material, alloy temperature and flow rate on the microstructure, thermal stability and soft ferromagnetic properties has been studied. The results suggest that a steel die in which the molten metal flows at low rate and high temperature can be used to produce completely glassy samples. This can be attributed to the laminar filling of the mold and to a lower heat transfer coefficient, which avoids the skin effect in the steel mold. In addition, magnetic measurements reveal that the amorphous structure of the material is maintained throughout the key-shaped samples. Although it is difficult to control the flow and cooling rate of the molten metal in the corners of the key due to different cross sections, this can be overcome by proper tool geometry. The present results confirm that HPDC is a suitable method for the casting of Fe-based bulk glassy alloys even with complex geometries for a broad range of applications.

  19. High pressure die casting of Fe-based metallic glass.

    Science.gov (United States)

    Ramasamy, Parthiban; Szabo, Attila; Borzel, Stefan; Eckert, Jürgen; Stoica, Mihai; Bárdos, András

    2016-10-11

    Soft ferromagnetic Fe-based bulk metallic glass key-shaped specimens with a maximum and minimum width of 25.4 and 5 mm, respectively, were successfully produced using a high pressure die casting (HPDC) method, The influence of die material, alloy temperature and flow rate on the microstructure, thermal stability and soft ferromagnetic properties has been studied. The results suggest that a steel die in which the molten metal flows at low rate and high temperature can be used to produce completely glassy samples. This can be attributed to the laminar filling of the mold and to a lower heat transfer coefficient, which avoids the skin effect in the steel mold. In addition, magnetic measurements reveal that the amorphous structure of the material is maintained throughout the key-shaped samples. Although it is difficult to control the flow and cooling rate of the molten metal in the corners of the key due to different cross sections, this can be overcome by proper tool geometry. The present results confirm that HPDC is a suitable method for the casting of Fe-based bulk glassy alloys even with complex geometries for a broad range of applications.

  20. Metal-composite adhesion based on diazonium chemistry.

    Science.gov (United States)

    Oweis, Yara; Alageel, Omar; Kozak, Paige; Abdallah, Mohamed-Nur; Retrouvey, Jean-Marc; Cerruti, Marta; Tamimi, Faleh

    2017-11-01

    Composite resins do not adhere well to dental alloys. This weak bond can result in failure at the composite-metal interface in fixed dental prostheses and orthodontic brackets. The aim of this study was to develop a new adhesive, based on diazonium chemistry, to facilitate chemical bonding between dental alloys and composite resin. Samples of two types of dental alloys, stainless steel and cobalt chromium were primed with a diazonium layer in order to create a surface coating favorable for composite adhesion. Untreated metal samples served as controls. The surface chemical composition of the treated and untreated samples was analyzed by X-ray photoelectron spectroscopy (XPS) and the tensile strength of the bond with composite resin was measured. The diazonium adhesive was also tested for shear bond strength between stainless steel orthodontic brackets and teeth. XPS confirmed the presence of a diazonium coating on the treated metals. The coating significantly increased the tensile and shear bond strengths by three and four folds respectively between the treated alloys and composite resin. diazonium chemistry can be used to develop composite adhesives for dental alloys. Diazonium adhesion can effectively achieve a strong chemical bond between dental alloys and composite resin. This technology can be used for composite repair of fractured crowns, for crown cementation with resin based cements, and for bracket bonding. Copyright © 2017 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.