WorldWideScience

Sample records for density hydrogen storage

  1. Numerical simulation of hydrogen desorption from high-density metal hydride hydrogen storage vessels

    Science.gov (United States)

    Sang-Kun, O.; Yi, Kyung-Woo; Cho, Sung-Wook

    2017-07-01

    Metal hydride (MH) alloys are a promising type of material in hydrogen storage applications, allowing for low-pressure, high-density storage. However, while many studies are being performed on enhancing the hydrogen storage properties of such alloys, there has been little research on large-scale storage vessels which make use of the alloys. In particular, large-scale, high-density storage devices must make allowances for the temperature variations caused by the heat of reaction between hydrogen and MH alloys, which may impact the storage characteristics. In this study, we propose a numerical model for the design and evaluation of hydrogen storage devices using MH alloys. Hydrogen desorption reaction behavior for an alloy is observed in terms of temperature and reaction rate. This behavioral correlation is used as the basis for a comprehensive simulation model of the alloy system. Calculated results are found to be in good agreement with experimentally measured data, indicating that the model may be applied to multiple system geometries, scales, and alloy compositions.

  2. 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...

  3. Hydrogen storage

    NARCIS (Netherlands)

    Peters, C.J.; Sloan, E.D.

    2005-01-01

    The invention relates to the storage of hydrogen. The invention relates especially to storing hydrogen in a clathrate hydrate. The clathrate hydrate according to the present invention originates from a composition, which comprises water and hydrogen, as well as a promotor compound. The promotor comp

  4. 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.

  5. Materials for hydrogen storage

    Directory of Open Access Journals (Sweden)

    Andreas Züttel

    2003-09-01

    The goal is to pack hydrogen as close as possible, i.e. to reach the highest volumetric density by using as little additional material as possible. Hydrogen storage implies the reduction of an enormous volume of hydrogen gas. At ambient temperature and atmospheric pressure, 1 kg of the gas has a volume of 11 m3. To increase hydrogen density, work must either be applied to compress the gas, the temperature decreased below the critical temperature, or the repulsion reduced by the interaction of hydrogen with another material.

  6. High-density automotive hydrogen storage with cryogenic capable pressure vessels

    Energy Technology Data Exchange (ETDEWEB)

    Aceves, Salvador M.; Espinosa-Loza, Francisco; Ledesma-Orozco, Elias; Ross, Timothy O.; Weisberg, Andrew H. [Lawrence Livermore National Laboratory, P.O. Box 808, L-792, Livermore, CA 94551 (United States); Brunner, Tobias C.; Kircher, Oliver [BMW Group, Knorrstr. 147, 80788 Munich (Germany)

    2010-02-15

    LLNL is developing cryogenic capable pressure vessels with thermal endurance 5-10 times greater than conventional liquid hydrogen (LH{sub 2}) tanks that can eliminate evaporative losses in routine usage of (L)H{sub 2} automobiles. In a joint effort BMW is working on a proof of concept for a first automotive cryo-compressed hydrogen storage system that can fulfill automotive requirements on system performance, life cycle, safety and cost. Cryogenic pressure vessels can be fueled with ambient temperature compressed gaseous hydrogen (CGH{sub 2}), LH{sub 2} or cryogenic hydrogen at elevated supercritical pressure (cryo-compressed hydrogen, CcH{sub 2}). When filled with LH{sub 2} or CcH{sub 2}, these vessels contain 2-3 times more fuel than conventional ambient temperature compressed H{sub 2} vessels. LLNL has demonstrated fueling with LH{sub 2} onboard two vehicles. The generation 2 vessel, installed onboard an H{sub 2}-powered Toyota Prius and fueled with LH{sub 2} demonstrated the longest unrefueled driving distance and the longest cryogenic H{sub 2} hold time without evaporative losses. A third generation vessel will be installed, reducing weight and volume by minimizing insulation thickness while still providing acceptable thermal endurance. Based on its long experience with cryogenic hydrogen storage, BMW has developed its cryo-compressed hydrogen storage concept, which is now undergoing a thorough system and component validation to prove compliance with automotive requirements before it can be demonstrated in a BMW test vehicle. (author)

  7. New approaches to hydrogen storage.

    Science.gov (United States)

    Graetz, Jason

    2009-01-01

    The emergence of a Hydrogen Economy will require the development of new media capable of safely storing hydrogen in a compact and light weight package. Metal hydrides and complex hydrides, where hydrogen is chemically bonded to the metal atoms in the bulk, offer some hope of overcoming the challenges associated with hydrogen storage. The objective is to find a material with a high volumetric and gravimetric hydrogen density that can also meet the unique demands of a low temperature automotive fuel cell. Currently, there is considerable effort to develop new materials with tunable thermodynamic and kinetic properties. This tutorial review provides an overview of the different types of metal hydrides and complex hydrides being investigated for on-board (reversible) and off-board (non-reversible) hydrogen storage along with a few new approaches to improving the hydrogenation-dehydrogenation properties.

  8. Interstitial hydrogen storage system

    Energy Technology Data Exchange (ETDEWEB)

    Gell, H.A.

    1980-09-30

    A metal hydride fuel system is described that incorporates a plurality of storage elements that may be individually replaced to provide a hydrogen fuel system for combustion engines having a capability of partial refueling is presented.

  9. Nanoporous polymers for hydrogen storage.

    Science.gov (United States)

    Germain, Jonathan; Fréchet, Jean M J; Svec, Frantisek

    2009-05-01

    The design of hydrogen storage materials is one of the principal challenges that must be met before the development of a hydrogen economy. While hydrogen has a large specific energy, its volumetric energy density is so low as to require development of materials that can store and release it when needed. While much of the research on hydrogen storage focuses on metal hydrides, these materials are currently limited by slow kinetics and energy inefficiency. Nanostructured materials with high surface areas are actively being developed as another option. These materials avoid some of the kinetic and thermodynamic drawbacks of metal hydrides and other reactive methods of storing hydrogen. In this work, progress towards hydrogen storage with nanoporous materials in general and porous organic polymers in particular is critically reviewed. Mechanisms of formation for crosslinked polymers, hypercrosslinked polymers, polymers of intrinsic microporosity, and covalent organic frameworks are discussed. Strategies for controlling hydrogen storage capacity and adsorption enthalpy via manipulation of surface area, pore size, and pore volume are discussed in detail.

  10. Hydrogen storage on metal oxide model clusters using density-functional methods and reliable van der Waals corrections.

    Science.gov (United States)

    Gebhardt, Julian; Viñes, Francesc; Bleiziffer, Patrick; Hieringer, Wolfgang; Görling, Andreas

    2014-03-21

    We investigate the capability of low-coordinated sites on small model clusters to act as active centers for hydrogen storage. A set of small magic clusters with the formula (XY)6 (X = Mg, Ba, Be, Zn, Cd, Na, Li, B and Y = O, Se, S, F, I, N) and a "drumlike" hexagonal shape showing a low coordination number of three was screened. Oxide clusters turned out to be the most promising candidates for hydrogen storage. For these ionic compounds we explored the suitability of different van der Waals (vdW) corrections to density-functional calculations by comparing the respective H2 physisorption profile to highly accurate CCSD(T) (Coupled Cluster Singles Doubles with perturbative Triples) calculations. The Grimme D3 vdW correction in combination with the Perdew-Burke-Ernzerhof exchange-correlation functional was found to be the best approach compared to CCSD(T) hydrogen physisorption profiles and is, therefore, suited to study these and other light metal oxide systems. H2 adsorption on sites of oxide model clusters is found to meet the adsorption energy criteria for H2 storage, with bond strengths ranging from 0.15 to 0.21 eV. Energy profiles and estimates of kinetic constants for the H2 splitting reaction reveal that H2 is likely to be adsorbed molecularly on sites of (MgO)6, (BaO)6, and (BeO)6 clusters, suggesting a rapid H2 uptake/release at operating temperatures and moderate pressures. The small mass of beryllium and magnesium makes such systems appealing for meeting the gravimetric criterion for H2 storage.

  11. Electrochemical hydrogen Storage Systems

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Digby Macdonald

    2010-08-09

    As the global need for energy increases, scientists and engineers have found a possible solution by using hydrogen to power our world. Although hydrogen can be combusted as a fuel, it is considered an energy carrier for use in fuel cells wherein it is consumed (oxidized) without the production of greenhouse gases and produces electrical energy with high efficiency. Chemical storage of hydrogen involves release of hydrogen in a controlled manner from materials in which the hydrogen is covalently bound. Sodium borohydride and aminoborane are two materials given consideration as chemical hydrogen storage materials by the US Department of Energy. A very significant barrier to adoption of these materials as hydrogen carriers is their regeneration from 'spent fuel,' i.e., the material remaining after discharge of hydrogen. The U.S. Department of Energy (DOE) formed a Center of Excellence for Chemical Hydrogen Storage, and this work stems from that project. The DOE has identified boron hydrides as being the main compounds of interest as hydrogen storage materials. The various boron hydrides are then oxidized to release their hydrogen, thereby forming a 'spent fuel' in the form of a lower boron hydride or even a boron oxide. The ultimate goal of this project is to take the oxidized boron hydrides as the spent fuel and hydrogenate them back to their original form so they can be used again as a fuel. Thus this research is essentially a boron hydride recycling project. In this report, research directed at regeneration of sodium borohydride and aminoborane is described. For sodium borohydride, electrochemical reduction of boric acid and sodium metaborate (representing spent fuel) in alkaline, aqueous solution has been investigated. Similarly to literature reports (primarily patents), a variety of cathode materials were tried in these experiments. Additionally, approaches directed at overcoming electrostatic repulsion of borate anion from the cathode, not

  12. Catalyzed Nano-Framework Stablized High Density Reversible Hydrogen Storage Systems

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Xia [value too long for type character varying(50); Opalka, Susanne M.; Mosher, Daniel A; Laube, Bruce L; Brown, Ronald J; Vanderspurt, Thomas H; Arsenault, Sarah; Wu, Robert; Strickler, Jamie; Ronnebro, Ewa; Boyle, Tim; Cordaro, Joseph

    2010-06-30

    A wide range of high capacity on-board rechargeable material candidates have exhibited non-ideal behavior related to irreversible hydrogen discharge / recharge behavior, and kinetic instability or retardation. This project addresses these issues by incorporating solvated and other forms of complex metal hydrides, with an emphasis on borohydrides, into nano-scale frameworks of low density, high surface area skeleton materials to stabilize, catalyze, and control desorption product formation associated with such complex metal hydrides. A variety of framework chemistries and hydride / framework combinations were investigated to make a relatively broad assessment of the method's potential. In this project, the hydride / framework interactions were tuned to decrease desorption temperatures for highly stable compounds or increase desorption temperatures for unstable high capacity compounds, and to influence desorption product formation for improved reversibility. First principle modeling was used to explore heterogeneous catalysis of hydride reversibility by modeling H2 dissociation, hydrogen migration, and rehydrogenation. Atomic modeling also demonstrated enhanced NaTi(BH4)4 stabilization at nano-framework surfaces modified with multi-functional agents. Amine multi-functional agents were found to have more balanced interactions with nano-framework and hydride clusters than other functional groups investigated. Experimentation demonstrated that incorporation of Ca(BH4)2 and Mg(BH4)2 in aerogels enhanced hydride desorption kinetics. Carbon aerogels were identified as the most suitable nano-frameworks for hydride kinetic enhancement and high hydride loading. High loading of NaTi(BH4)4 ligand complex in SiO2 aerogel was achieved and hydride stability was improved with the aerogel. Although improvements of desorption kinetics was observed, the incorporation of

  13. Hydrogen-based electrochemical energy storage

    Science.gov (United States)

    Simpson, Lin Jay

    2013-08-06

    An energy storage device (100) providing high storage densities via hydrogen storage. The device (100) includes a counter electrode (110), a storage electrode (130), and an ion conducting membrane (120) positioned between the counter electrode (110) and the storage electrode (130). The counter electrode (110) is formed of one or more materials with an affinity for hydrogen and includes an exchange matrix for elements/materials selected from the non-noble materials that have an affinity for hydrogen. The storage electrode (130) is loaded with hydrogen such as atomic or mono-hydrogen that is adsorbed by a hydrogen storage material such that the hydrogen (132, 134) may be stored with low chemical bonding. The hydrogen storage material is typically formed of a lightweight material such as carbon or boron with a network of passage-ways or intercalants for storing and conducting mono-hydrogen, protons, or the like. The hydrogen storage material may store at least ten percent by weight hydrogen (132, 134) at ambient temperature and pressure.

  14. Magnesium for Hydrogen Storage

    DEFF Research Database (Denmark)

    Pedersen, Allan Schrøder; Kjøller, John; Larsen, B.

    1983-01-01

    A study of the hydrogenation characteristics of fine magnesium powder during repeated cycling has been performed using a high-pressure microbalance facility. No effect was found from the cycling regarding kinetics and storage capacity. The reaction rate of the absorption process was fast at tempe......A study of the hydrogenation characteristics of fine magnesium powder during repeated cycling has been performed using a high-pressure microbalance facility. No effect was found from the cycling regarding kinetics and storage capacity. The reaction rate of the absorption process was fast...... at temperatures around 600 K and above, but the reversed reaction showed somewhat slower kinetics around 600 K. At higher temperatures the opposite was found. The enthalpy and entropy change by the hydrogenation, derived from pressure-concentration isotherms, agree fairly well with those reported earlier....

  15. Hydrogen Storage Technical Team Roadmap

    Energy Technology Data Exchange (ETDEWEB)

    None

    2013-06-01

    The mission of the Hydrogen Storage Technical Team is to accelerate research and innovation that will lead to commercially viable hydrogen-storage technologies that meet the U.S. DRIVE Partnership goals.

  16. Nanostructured materials for hydrogen storage

    Science.gov (United States)

    Williamson, Andrew J.; Reboredo, Fernando A.

    2007-12-04

    A system for hydrogen storage comprising a porous nano-structured material with hydrogen absorbed on the surfaces of the porous nano-structured material. The system of hydrogen storage comprises absorbing hydrogen on the surfaces of a porous nano-structured semiconductor material.

  17. Electrochemical hydrogen Storage Systems

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Digby Macdonald

    2010-08-09

    As the global need for energy increases, scientists and engineers have found a possible solution by using hydrogen to power our world. Although hydrogen can be combusted as a fuel, it is considered an energy carrier for use in fuel cells wherein it is consumed (oxidized) without the production of greenhouse gases and produces electrical energy with high efficiency. Chemical storage of hydrogen involves release of hydrogen in a controlled manner from materials in which the hydrogen is covalently bound. Sodium borohydride and aminoborane are two materials given consideration as chemical hydrogen storage materials by the US Department of Energy. A very significant barrier to adoption of these materials as hydrogen carriers is their regeneration from 'spent fuel,' i.e., the material remaining after discharge of hydrogen. The U.S. Department of Energy (DOE) formed a Center of Excellence for Chemical Hydrogen Storage, and this work stems from that project. The DOE has identified boron hydrides as being the main compounds of interest as hydrogen storage materials. The various boron hydrides are then oxidized to release their hydrogen, thereby forming a 'spent fuel' in the form of a lower boron hydride or even a boron oxide. The ultimate goal of this project is to take the oxidized boron hydrides as the spent fuel and hydrogenate them back to their original form so they can be used again as a fuel. Thus this research is essentially a boron hydride recycling project. In this report, research directed at regeneration of sodium borohydride and aminoborane is described. For sodium borohydride, electrochemical reduction of boric acid and sodium metaborate (representing spent fuel) in alkaline, aqueous solution has been investigated. Similarly to literature reports (primarily patents), a variety of cathode materials were tried in these experiments. Additionally, approaches directed at overcoming electrostatic repulsion of borate anion from the cathode, not

  18. Hydrogen storage via polyhydride complexes

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, C.M. [Univ. of Hawaii, Honolulu, HI (United States)

    1996-10-01

    Polyhydride metal complexes are being developed for application to hydrogen storage. Complexes have been found which catalyze the reversible hydrogenation of unsaturated hydrocarbons. This catalytic reaction could be the basis for a low temperature, hydrogen storage system with a available hydrogen density greater than 7 weight percent. The P-C-P pincer complexes, RhH{sub 2}(C{sub 6}H{sub 3}-2,6-(CH{sub 2}PBu{sup t}{sub 2}){sub 2}) and IrH{sub 2}(C{sub 6}H{sub 3}-2,6-(CH{sub 2}PBu{sup t}{sub 2}){sub 2}) have unprecedented, long term stability at elevated temperatures. The novel iridium complex catalyzes the transfer dehydrogenation of cycloctane to cyclooctene at the rate of 716 turnovers/h which is 2 orders of magnitude greater than that found for previously reported catalytic systems which do not require the sacrificial hydrogenation of a large excess of hydrogen acceptor.

  19. Neutron scattering and hydrogen storage

    Directory of Open Access Journals (Sweden)

    A.J. Ramirez-Cuesta

    2009-11-01

    Full Text Available Hydrogen has been identified as a fuel of choice for providing clean energy for transport and other applications across the world and the development of materials to store hydrogen efficiently and safely is crucial to this endeavour. Hydrogen has the largest scattering interaction with neutrons of all the elements in the periodic table making neutron scattering ideal for studying hydrogen storage materials. Simultaneous characterisation of the structure and dynamics of these materials during hydrogen uptake is straightforward using neutron scattering techniques. These studies will help us to understand the fundamental properties of hydrogen storage in realistic conditions and hence design new hydrogen storage materials.

  20. Enhancing hydrogen spillover and storage

    Science.gov (United States)

    Yang, Ralph T.; Li, Yingwel; Lachawiec, Jr., Anthony J.

    2011-05-31

    Methods for enhancing hydrogen spillover and storage are disclosed. One embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the hydrogen receptor to ultrasonification as doping occurs. Another embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the doped hydrogen receptor to a plasma treatment.

  1. Enhancing hydrogen spillover and storage

    Science.gov (United States)

    Yang, Ralph T; Li, Yingwei; Lachawiec, Jr., Anthony J

    2013-02-12

    Methods for enhancing hydrogen spillover and storage are disclosed. One embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the hydrogen receptor to ultrasonication as doping occurs. Another embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the doped hydrogen receptor to a plasma treatment.

  2. Metal ammine complexes for hydrogen storage

    DEFF Research Database (Denmark)

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

    2005-01-01

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

  3. Indirect, reversible high-density hydrogen storage in compact metal ammine salts

    DEFF Research Database (Denmark)

    Sørensen, Rasmus Zink; Hummelshøj, Jens Strabo; Klerke, Asbjørn;

    2008-01-01

    densities both gravimetrically and volumetrically. Upon heating, NH3 is released from the salts, and by employing an appropriate catalyst, H-2 can be released corresponding to up to 9.78 wt % H and 0.116 kg H/L for the Ca(NH3)(8)Cl-2 salt. The NH3 release from all four salts is investigated using...

  4. Hydrogen storage: beyond conventional methods.

    Science.gov (United States)

    Dalebrook, Andrew F; Gan, Weijia; Grasemann, Martin; Moret, Séverine; Laurenczy, Gábor

    2013-10-09

    The efficient storage of hydrogen is one of three major hurdles towards a potential hydrogen economy. This report begins with conventional storage methods for hydrogen and broadly covers new technology, ranging from physical media involving solid adsorbents, to chemical materials including metal hydrides, ammonia borane and liquid precursors such as alcohols and formic acid.

  5. Hydrogen storage for automobiles

    Energy Technology Data Exchange (ETDEWEB)

    Strickland, G.

    1979-01-01

    Results of an analysis of hydrogen-fueled automobiles are presented as a part of a continuing study conducted by Lawrence Livermore Laboratory (LLL) on Energy Storage Systems for Automobile Propulsion. The hydrogen is stored either as a metal hydride at moderate pressure in TiFe/sub 0/ /sub 9/Mn/sub 0/ /sub 1/H/sub x/ and at low pressure in MgH/sub x/ catalyzed with 10 wt % Ni, or it is stored in hollow glass microspheres at pressures up to about 400 atm. Improved projections are given for the two hydrides, which are used in combination to take advantage of their complementary properties. In the dual-hydride case and in the microsphere case where Ti-based hydride is used for initial operation, hydrogen is consumed in an internal-combustion engine; whereas in the third case, hydrogen from Ti-based hydride is used with air in an alkaline fuel cell/Ni-Zn battery combination which powers an electric vehicle. Each system is briefly described; and the results of the vehicle analysis are compared with those for the conventional automobile and with electric vehicles powered by Pb-acid or Ni-Zn batteries. Comparisons are made on the basis of automobile weight, initial user cost, and life-cycle cost. In this report, the results are limited to those for the 5-passenger vehicle in the period 1985-1990, and are provided as probable and optimistic values.

  6. Hydrogen storage by polylithiated molecules and nanostructures

    NARCIS (Netherlands)

    Er, S.; de Wijs, Gilles A.; Brocks, G.

    2009-01-01

    We study polylithiated molecules as building blocks for hydrogen storage materials, using first-principles calculations. CLi4 and OLi2 bind 12 and 10 hydrogen molecules, respectively, with an average binding energy of 0.10 and 0.13 eV, leading to gravimetric densities of 37.8 and 40.3 wt % of H2.

  7. Ammonia for hydrogen storage: challenges and opportunities

    DEFF Research Database (Denmark)

    Klerke, Asbjørn; Christensen, Claus H.; Nørskov, Jens Kehlet

    2008-01-01

    The possibility of using ammonia as a hydrogen carrier is discussed. Compared to other hydrogen storage materials, ammonia has the advantages of a high hydrogen density, a well-developed technology for synthesis and distribution, and easy catalytic decomposition. Compared to hydrocarbons...... and alcohols, it has the advantage that there is no CO2 emission at the end user. The drawbacks are mainly the toxicity of liquid ammonia and the problems related to trace amounts of ammonia in the hydrogen after decomposition. Storage of ammonia in metal ammine salts is discussed, and it is shown...... that this maintains the high volumetric hydrogen density while alleviating the problems of handling the ammonia. Some of the remaining challenges for research in ammonia as a hydrogen carrier are outlined....

  8. Hydride development for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, G.J.; Guthrie, S.E.; Bauer, W.; Yang, N.Y.C. [Sandia National Lab., Livermore, CA (United States); Sandrock, G. [SunaTech, Inc., Ringwood, NJ (United States)

    1996-10-01

    The purpose of this project is to develop and demonstrate improved hydride materials for hydrogen storage. The work currently is organized into four tasks: hydride development, bed fabrication, materials support for engineering systems, and IEA Annex 12 activities. At the present time, hydride development is focused on Mg alloys. These materials generally have higher weight densities for storing hydrogen than rare earth or transition metal alloys, but suffer from high operating temperatures, slow kinetic behavior and material stability. The authors approach is to study bulk alloy additions which increase equilibrium overpressure, in combination with stable surface alloy modification and particle size control to improve kinetic properties. This work attempts to build on the considerable previous research in this area, but examines specific alloy systems in greater detail, with attention to known phase properties and structures. The authors have found that specific phases can be produced which have significantly improved hydride properties compared to previous studies.

  9. Hydrogen storage and generation system

    Science.gov (United States)

    Dentinger, Paul M.; Crowell, Jeffrey A. W.

    2010-08-24

    A system for storing and generating hydrogen generally and, in particular, a system for storing and generating hydrogen for use in an H.sub.2/O.sub.2 fuel cell. The hydrogen storage system uses the beta particles from a beta particle emitting material to degrade an organic polymer material to release substantially pure hydrogen. In a preferred embodiment of the invention, beta particles from .sup.63Ni are used to release hydrogen from linear polyethylene.

  10. Carbon nanotube materials from hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Dillon, A.C.; Bekkedahl, T.A.; Cahill, A.F. [National Renewable Energy Laboratory, Golden, CO (United States)

    1995-09-01

    The lack of convenient and cost-effective hydrogen storage is a major impediment to wide scale use of hydrogen in the United States energy economy. Improvements in the energy densities of hydrogen storage systems, reductions in cost, and increased compatibility with available and forecasted systems are required before viable hydrogen energy use pathways can be established. Carbon-based hydrogen adsorption materials hold particular promise for meeting and exceeding the U.S. Department of Energy hydrogen storage energy density targets for transportation if concurrent increases in hydrogen storage capacity and carbon density can be achieved. These two goals are normally in conflict for conventional porous materials, but may be reconciled by the design and synthesis of new adsorbent materials with tailored pore size distributions and minimal macroporosity. Carbon nanotubes offer the possibility to explore new designs for adsorbents because they can be fabricated with small size distributions, and naturally tend to self-assemble by van der Waals forces. This year we report heats of adsorption for hydrogen on nanotube materials that are 2 and 3 times greater than for hydrogen on activated carbon. The hydrogen which is most strongly bound to these materials remains on the carbon surface to temperatures greater than 285 K. These results suggest that nanocapillary forces are active in stabilizing hydrogen on the surfaces of carbon nanotubes, and that optimization of the adsorbent will lead to effective storage at higher temperatures. In this paper we will also report on our activities which are targeted at understanding and optimizing the nucleation and growth of single wall nanotubes. These experiments were made possible by the development of a unique feedback control circuit which stabilized the plasma-arc during a synthesis run.

  11. Low-Density and High Porosity Hydrogen Storage Materials Built from Ultra-Light Elements. Final Scientific/Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Pingyun [Univ. of California, Riverside, CA (United States)

    2014-01-10

    A number of significant advances have been achieved, opening up new opportunities for the synthetic development of novel porous materials and their energy-related applications including gas storage and separation and catalysis. These include lithium-based metal-organic frameworks, magnesium-based metal-organic frameworks, and high gas uptake in porous frameworks with high density of open donor sites.

  12. Polyhydride complexes for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, C.M. [Univ. of Hawaii, Honolulu, HI (United States)

    1995-09-01

    Polyhydride metal complexes are being developed for application in hydrogen storage. Efforts have focused on developing complexes with improved available hydrogen weight percentages. We have explored the possibility that complexes containing aromatic hydrocarbon ligands could store hydrogen at both the metal center and in the ligands. We have synthesized novel indenyl hydride complexes and explored their reactivity with hydrogen. The reversible hydrogenation of [IrH{sub 3}(PPh{sub 3})({eta}{sup 5}-C{sub 10}H{sub 7})]{sup +} has been achieved. While attempting to prepare {eta}{sup 6}-tetrahydronaphthalene complexes, we discovered that certain polyhydride complexes catalyze both the hydrogenation and dehydrogenation of tetrahydronaphthalene.

  13. Hydrogen Storage in Metal Hydrides

    Science.gov (United States)

    1990-08-01

    Hydrogen Storage Capacity Hydride by weight (%) [1) by volume (g/ml) [2] MgH2 7.00 0.101 Mg2NiH4 3.84 0,081 Mg2CuH4 2.04 - - 27 ...Include Security Classification) Hydrogen Storage in Metal Hydrides (U) 12. PERSONAL AUTHOR(S) DelaRosa, Mark J. 13a. TYPE OF REPORT 13b. TIME...objective of this program was to develop an economical process for pr-ducing a lightweight hydrogen storage medium by the chemical vapor infiltration

  14. Carbon material for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Bourlinos, Athanasios; Steriotis, Theodore; Stubos, Athanasios; Miller, Michael A

    2016-09-13

    The present invention relates to carbon based materials that are employed for hydrogen storage applications. The material may be described as the pyrolysis product of a molecular precursor such as a cyclic quinone compound. The pyrolysis product may then be combined with selected transition metal atoms which may be in nanoparticulate form, where the metals may be dispersed on the material surface. Such product may then provide for the reversible storage of hydrogen. The metallic nanoparticles may also be combined with a second metal as an alloy to further improve hydrogen storage performance.

  15. Hydrogen Storage in Carbon Nanotubes

    Science.gov (United States)

    Gilbert, Joseph; Gilbert, Matthew; Naab, Fabian; Savage, Lauren; Holland, Wayne; Duggan, Jerome; McDaniel, Floyd

    2004-10-01

    Hydrogen as a fuel source is an attractive, relatively clean alternative to fossil fuels. However, a major limitation in its use for the application of automobiles has been the requirement for an efficient hydrogen storage medium. Current hydrogen storage systems are: physical storage in high pressure tanks, metal hydride, and gas-on-solid absorption. However, these methods do not fulfill the Department of Energy's targeted requirements for a usable hydrogen storage capacity of 6.5 wt.%, operation near ambient temperature and pressure, quick extraction and refueling, reliability and reusability.Reports showing high capacity hydrogen storage in single-walled carbon nanotubes originally prompted great excitement in the field, but further research has shown conflicting results. Results for carbon nanostructures have ranged from less than 1 wt.% to 70 wt.%. The wide range of adsorption found in previous experiments results from the difficulty in measuring hydrogen in objects just nanometers in size. Most previous experiments relied on weight analysis and residual gas analysis to determine the amount of hydrogen being adsorbed by the CNTs. These differing results encouraged us to perform our own analysis on single-walled (SWNTs), double-walled (DWNTs), and multi-walled carbon nanotubes (MWNTs), as well as carbon fiber. We chose to utilize direct measurement of hydrogen in the materials using elastic recoil detection analysis (ERDA). This work was supported by the National Science Foundation's Research Experience for Undergraduates and the University of North Texas.

  16. Magnesium for Hydrogen Storage

    DEFF Research Database (Denmark)

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

    1980-01-01

    The reaction of hydrogen with commercially pure magnesium powder (above 99.7%) was investigated in the temperature range 250–400 °C. Hydrogen is readily sorbed above the dissociation pressure. During the initial exposure the magnesium powder sorbs hydrogen slowly below 400 °C but during the second...

  17. The Energy Efficiency of Onboard Hydrogen Storage

    DEFF Research Database (Denmark)

    Jensen, Jens Oluf; Vestbø, Andreas Peter; Li, Qingfeng

    2007-01-01

    A number of the most common ways of storing hydrogen are reviewed in terms of energy efficiency. Distinction is made between energy losses during regeneration and during hydrogen liberation. In the latter case, the energy might have to be provided by part of the released hydrogen, and the true st...... storage density is then equivalently smaller. Systems covered include compressed and liquid hydrogen, reversible and irreversible metal hydrides, and methanol and ammonia.......A number of the most common ways of storing hydrogen are reviewed in terms of energy efficiency. Distinction is made between energy losses during regeneration and during hydrogen liberation. In the latter case, the energy might have to be provided by part of the released hydrogen, and the true...

  18. Hydrogen storage container

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jy-An John; Feng, Zhili; Zhang, Wei

    2017-02-07

    An apparatus and system is described for storing high-pressure fluids such as hydrogen. An inner tank and pre-stressed concrete pressure vessel share the structural and/or pressure load on the inner tank. The system and apparatus provide a high performance and low cost container while mitigating hydrogen embrittlement of the metal tank. System is useful for distributing hydrogen to a power grid or to a vehicle refueling station.

  19. Density Functional Theory and Grand Canonical Monte Carlo Simulations of the Hydrogen Storage Properties of Partially Truncated and Open Cage C60 Fullerenes

    Institute of Scientific and Technical Information of China (English)

    LI Xiao-Dong; TANG Yong-Jian; CHENG Xin-Lu; ZHANG Hong

    2011-01-01

    The potential energies of H2 molecules with partially truncated and open cage C6o fullerenes,including Css,C55,C54(Ⅰ),C54(Ⅱ) and C46,are investigated by means of the density functional theory method.The energy barrier for one H2 molecule (with two postures) entering into the nanocage decreases from 435.59 (513.45)kcal/mol to 3.64 (-2.06) kcal/mol with the increase of the truncated pore.The grand canonical Monte Carlo simulations reveal that each nanocage can accommodate only one H2 molecule inside its cavity at both 77K and 298K.All the other H2 molecules are adsorbed round the truncated pores outside the nanocages.Exceptionally,the truncated C46 can store 2.28wt% H2 molecules at 77K.Therefore,the truncating part of the C60 molecule may be a novel idea to explore C60 fullerene as a hydrogen storage material.Hydrogen is one of the clean and renewable energy carriers used to replace traditional fossil fuels,which have caused great negative effects on the environment.However,the main obstacle for the wide use of hydrogen is its dense and safe storage.[1-3] One proposed method is to physisorbe molecular hydrogen on porous materials.[4-6] Some studies found that metal organic frameworks have the potential to satisfy the goal of gravimetric density of 6wt% hydrogen,[6-9]as set by the U.S.Department of Energy in 2010.However,it is unfortunate that the synthesis of these artificially designed frames is a tremendous obstacle.%The potential energies of H2 molecules with partially truncated and open cage C60 fullerenes, including C58, C55, C54(I), C54(I) and C46, are investigated by means of the density functional theory method. The energy barrier for one H2 molecule (with two postures) entering into the nanocage decreases from 435.59 (513.45) kcal/mol to 3.64 (-2.06) kcal/mol with the increase of the truncated pore. The grand canonical Monte Carlo simulations reveal that each nanocage can accommodate only one H2 molecule inside its cavity at both 77 K and 298 K. All

  20. Hydrogen Storage Tank

    CERN Multimedia

    1983-01-01

    This huge stainless steel reservoir,placed near an end of the East Hall, was part of the safety equipment connected to the 2 Metre liquid hydrogen Bubble Chamber. It could store all the hydrogen in case of an emergency. The picture shows the start of its demolition.

  1. ALUMINUM HYDRIDE: A REVERSIBLE STORAGE MATERIAL FOR HYDROGEN STORAGE

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-01-09

    One of the challenges of implementing the hydrogen economy is finding a suitable solid H{sub 2} storage material. Aluminium (alane, AlH{sub 3}) hydride has been examined as a potential hydrogen storage material because of its high weight capacity, low discharge temperature, and volumetric density. Recycling the dehydride material has however precluded AlH{sub 3} from being implemented due to the large pressures required (>10{sup 5} bar H{sub 2} at 25 C) and the thermodynamic expense of chemical synthesis. A reversible cycle to form alane electrochemically using NaAlH{sub 4} in THF been successfully demonstrated. Alane is isolated as the triethylamine (TEA) adduct and converted to unsolvated alane by heating under vacuum. To complete the cycle, the starting alanate can be regenerated by direct hydrogenation of the dehydrided alane and the alkali hydride (NaH) This novel reversible cycle opens the door for alane to fuel the hydrogen economy.

  2. Hydrogen storage in nanostructured materials

    Energy Technology Data Exchange (ETDEWEB)

    Assfour, Bassem

    2011-02-28

    Hydrogen is an appealing energy carrier for clean energy use. However, storage of hydrogen is still the main bottleneck for the realization of an energy economy based on hydrogen. Many materials with outstanding properties have been synthesized with the aim to store enough amount of hydrogen under ambient conditions. Such efforts need guidance from material science, which includes predictive theoretical tools. Carbon nanotubes were considered as promising candidates for hydrogen storage applications, but later on it was found to be unable to store enough amounts of hydrogen under ambient conditions. New arrangements of carbon nanotubes were constructed and hydrogen sorption properties were investigated using state-of-the-art simulation methods. The simulations indicate outstanding total hydrogen uptake (up to 19.0 wt.% at 77 K and 5.52wt.% at 300 K), which makes these materials excellent candidates for storage applications. This reopens the carbon route to superior materials for a hydrogen-based economy. Zeolite imidazolate frameworks are subclass of MOFs with an exceptional chemical and thermal stability. The hydrogen adsorption in ZIFs was investigated as a function of network geometry and organic linker exchange. Ab initio calculations performed at the MP2 level to obtain correct interaction energies between hydrogen molecules and the ZIF framework. Subsequently, GCMC simulations are carried out to obtain the hydrogen uptake of ZIFs at different thermodynamic conditions. The best of these materials (ZIF-8) is found to be able to store up to 5 wt.% at 77 K and high pressure. We expected possible improvement of hydrogen capacity of ZIFs by substituting the metal atom (Zn{sup 2+}) in the structure by lighter elements such as B or Li. Therefore, we investigated the energy landscape of LiB(IM)4 polymorphs in detail and analyzed their hydrogen storage capacities. The structure with the fau topology was shown to be one of the best materials for hydrogen storage. Its

  3. Final Report: Metal Perhydrides for Hydrogen Storage

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, J-Y.; Shi, S.; Hackney, S.; Swenson, D.; Hu, Y.

    2011-07-26

    Hydrogen is a promising energy source for the future economy due to its environmental friendliness. One of the important obstacles for the utilization of hydrogen as a fuel source for applications such as fuel cells is the storage of hydrogen. In the infrastructure of the expected hydrogen economy, hydrogen storage is one of the key enabling technologies. Although hydrogen possesses the highest gravimetric energy content (142 KJ/g) of all fuels, its volumetric energy density (8 MJ/L) is very low. It is desired to increase the volumetric energy density of hydrogen in a system to satisfy various applications. Research on hydrogen storage has been pursed for many years. Various storage technologies, including liquefaction, compression, metal hydride, chemical hydride, and adsorption, have been examined. Liquefaction and high pressure compression are not desired due to concerns related to complicated devices, high energy cost and safety. Metal hydrides and chemical hydrides have high gravimetric and volumetric energy densities but encounter issues because high temperature is required for the release of hydrogen, due to the strong bonding of hydrogen in the compounds. Reversibility of hydrogen loading and unloading is another concern. Adsorption of hydrogen on high surface area sorbents such as activated carbon and organic metal frameworks does not have the reversibility problem. But on the other hand, the weak force (primarily the van der Waals force) between hydrogen and the sorbent yields a very small amount of adsorption capacity at ambient temperature. Significant storage capacity can only be achieved at low temperatures such as 77K. The use of liquid nitrogen in a hydrogen storage system is not practical. Perhydrides are proposed as novel hydrogen storage materials that may overcome barriers slowing advances to a hydrogen fuel economy. In conventional hydrides, e.g. metal hydrides, the number of hydrogen atoms equals the total valence of the metal ions. One Li

  4. HGMS: Glasses and Nanocomposites for Hydrogen Storage.

    Energy Technology Data Exchange (ETDEWEB)

    Lipinska, Kris [PI; Hemmers, Oliver

    2013-02-17

    directly address any hydrogen storage technical barriers or targets in terms of numbers. Specifically, hydrogen sorption and desorption tests or kinetics measurements were not part of the project scope. However, the insights gained from these studies could help to answer fundamental questions necessary for considering glass-based materials as hydrogen storage media and could be applied indirectly towards the DOE hydrogen storage technical targets such as system weight and volume, system cost and energy density. Such questions are: Can specific macro-crystals, proven to attract hydrogen when in a macroscopic form (bulk), be nucleated in glass matrices as nanocrystals to create two-phased materials? What are suitable compositions that enable to synthetize glass-based, two-phase materials with nanocrystals that can attract hydrogen via surface or bulk interactions? What are the limits of controlling the microstructure of these materials, especially limits for nanocrystals density and size? Finally, from a technological point of view, the fabrication of glass-derived nanocomposites that we explore is a very simple, fast and inexpensive process that does not require costly or specialized equipment which is an important factor for practical applications.

  5. Final Report: Metal Perhydrides for Hydrogen Storage

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, J-Y.; Shi, S.; Hackney, S.; Swenson, D.; Hu, Y.

    2011-07-26

    Hydrogen is a promising energy source for the future economy due to its environmental friendliness. One of the important obstacles for the utilization of hydrogen as a fuel source for applications such as fuel cells is the storage of hydrogen. In the infrastructure of the expected hydrogen economy, hydrogen storage is one of the key enabling technologies. Although hydrogen possesses the highest gravimetric energy content (142 KJ/g) of all fuels, its volumetric energy density (8 MJ/L) is very low. It is desired to increase the volumetric energy density of hydrogen in a system to satisfy various applications. Research on hydrogen storage has been pursed for many years. Various storage technologies, including liquefaction, compression, metal hydride, chemical hydride, and adsorption, have been examined. Liquefaction and high pressure compression are not desired due to concerns related to complicated devices, high energy cost and safety. Metal hydrides and chemical hydrides have high gravimetric and volumetric energy densities but encounter issues because high temperature is required for the release of hydrogen, due to the strong bonding of hydrogen in the compounds. Reversibility of hydrogen loading and unloading is another concern. Adsorption of hydrogen on high surface area sorbents such as activated carbon and organic metal frameworks does not have the reversibility problem. But on the other hand, the weak force (primarily the van der Waals force) between hydrogen and the sorbent yields a very small amount of adsorption capacity at ambient temperature. Significant storage capacity can only be achieved at low temperatures such as 77K. The use of liquid nitrogen in a hydrogen storage system is not practical. Perhydrides are proposed as novel hydrogen storage materials that may overcome barriers slowing advances to a hydrogen fuel economy. In conventional hydrides, e.g. metal hydrides, the number of hydrogen atoms equals the total valence of the metal ions. One Li

  6. High efficiency stationary hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Hynek, S.; Fuller, W.; Truslow, S. [Arthur D. Little, Inc., Cambridge, MA (United States)

    1995-09-01

    Stationary storage of hydrogen permits one to make hydrogen now and use it later. With stationary hydrogen storage, one can use excess electrical generation capacity to power an electrolyzer, and store the resultant hydrogen for later use or transshipment. One can also use stationary hydrogen as a buffer at fueling stations to accommodate non-steady fueling demand, thus permitting the hydrogen supply system (e.g., methane reformer or electrolyzer) to be sized to meet the average, rather than the peak, demand. We at ADL designed, built, and tested a stationary hydrogen storage device that thermally couples a high-temperature metal hydride to a phase change material (PCM). The PCM captures and stores the heat of the hydriding reaction as its own heat of fusion (that is, it melts), and subsequently returns that heat of fusion (by freezing) to facilitate the dehydriding reaction. A key component of this stationary hydrogen storage device is the metal hydride itself. We used nickel-coated magnesium powder (NCMP) - magnesium particles coated with a thin layer of nickel by means of chemical vapor deposition (CVD). Magnesium hydride can store a higher weight fraction of hydrogen than any other practical metal hydride, and it is less expensive than any other metal hydride. We designed and constructed an experimental NCM/PCM reactor out of 310 stainless steel in the form of a shell-and-tube heat exchanger, with the tube side packed with NCMP and the shell side filled with a eutectic mixture of NaCL, KCl, and MgCl{sub 2}. Our experimental results indicate that with proper attention to limiting thermal losses, our overall efficiency will exceed 90% (DOE goal: >75%) and our overall system cost will be only 33% (DOE goal: <50%) of the value of the delivered hydrogen. It appears that NCMP can be used to purify hydrogen streams and store hydrogen at the same time. These prospects make the NCMP/PCM reactor an attractive component in a reformer-based hydrogen fueling station.

  7. Hydrogen storage development

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-08-01

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

  8. Synthesis of Ni/Graphene Nanocomposite for Hydrogen Storage.

    Science.gov (United States)

    Zhou, Chunyu; Szpunar, Jerzy A; Cui, Xiaoyu

    2016-06-22

    We have designed a Ni-graphene composite for hydrogen storage with Ni nanoparticles of 10 nm in size, uniformly dispersed over a graphene substrate. This system exhibits attractive features like high gravimetric density, ambient conditions, and low activation temperature for hydrogen release. When charged at room temperature and an atmospheric hydrogen pressure of 1 bar, it could yield a hydrogen capacity of 0.14 wt %. When hydrogen pressure increased to 60 bar, the sorbent had a hydrogen gravimetric density of 1.18 wt %. The hydrogen release could occur at an operating temperature below 150 °C and completes at 250 °C.

  9. Hydrogen Storage Performance in Pd/Graphene Nanocomposites.

    Science.gov (United States)

    Zhou, Chunyu; Szpunar, Jerzy A

    2016-10-05

    We have developed a Pd-graphene nanocomposite for hydrogen storage. The spherically shaped Pd nanoparticles of 5-45 nm in size are homogeneously distributed over the graphene matrix. This new hydrogen storage system has favorable features like desirable hydrogen storage capacity, ambient conditions of hydrogen uptake, and low temperature of hydrogen release. At a hydrogen charging pressure of 50 bar, the material could yield a gravimetric density of 6.7 wt % in the 1% Pd/graphene nanocomposite. As we increased the applied pressure to 60 bar, the hydrogen uptake capacity reached 8.67 wt % in the 1% Pd/graphene nanocomposite and 7.16 wt % in the 5% Pd/graphene nanocomposite. This system allows storage of hydrogen in amounts that exceed the capacity of the gravimetric target announced by the U.S. Department of Energy (DOE).

  10. INTEGRATED HYDROGEN STORAGE SYSTEM MODEL

    Energy Technology Data Exchange (ETDEWEB)

    Hardy, B

    2007-11-16

    Hydrogen storage is recognized as a key technical hurdle that must be overcome for the realization of hydrogen powered vehicles. Metal hydrides and their doped variants have shown great promise as a storage material and significant advances have been made with this technology. In any practical storage system the rate of H2 uptake will be governed by all processes that affect the rate of mass transport through the bed and into the particles. These coupled processes include heat and mass transfer as well as chemical kinetics and equilibrium. However, with few exceptions, studies of metal hydrides have focused primarily on fundamental properties associated with hydrogen storage capacity and kinetics. A full understanding of the complex interplay of physical processes that occur during the charging and discharging of a practical storage system requires models that integrate the salient phenomena. For example, in the case of sodium alanate, the size of NaAlH4 crystals is on the order of 300nm and the size of polycrystalline particles may be approximately 10 times larger ({approx}3,000nm). For the bed volume to be as small as possible, it is necessary to densely pack the hydride particles. Even so, in packed beds composed of NaAlH{sub 4} particles alone, it has been observed that the void fraction is still approximately 50-60%. Because of the large void fraction and particle to particle thermal contact resistance, the thermal conductivity of the hydride is very low, on the order of 0.2 W/m-{sup o}C, Gross, Majzoub, Thomas and Sandrock [2002]. The chemical reaction for hydrogen loading is exothermic. Based on the data in Gross [2003], on the order of 10{sup 8}J of heat of is released for the uptake of 5 kg of H{sub 2}2 and complete conversion of NaH to NaAlH{sub 4}. Since the hydride reaction transitions from hydrogen loading to discharge at elevated temperatures, it is essential to control the temperature of the bed. However, the low thermal conductivity of the hydride

  11. Trends of Chinese RE Hydrogen Storage Alloys

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    @@ Ⅰ . Status of Chinese RE Hydrogen Storage Alloys 1. R εt D of RE Hydrogen Storage Alloys in China AB5 hydrogen storage materials, taking rare earth mischmetals as raw materials, developed rapidly in China in recent years. Today, different countries attach importance to the development and application of the new environmental protection reproducible power sources.

  12. Hydrogen storage in complex metal hydrides

    National Research Council Canada - National Science Library

    Bogdanovic, Borislav; Felderhoff, Michael; Streukens, Guido

    2009-01-01

    ...) are solid-state hydrogen-storage materials with high hydrogen capacities. They can be used in combination with fuel cells as a hydrogen source thus enabling longer operation times compared with classical metal hydrides...

  13. High capacity hydrogen storage nanocomposite materials

    Science.gov (United States)

    Zidan, Ragaiy; Wellons, Matthew S

    2015-02-03

    A novel hydrogen absorption material is provided comprising a mixture of a lithium hydride with a fullerene. The subsequent reaction product provides for a hydrogen storage material which reversibly stores and releases hydrogen at temperatures of about 270.degree. C.

  14. Applying Study of Hydrogen Storage Alloy

    Institute of Scientific and Technical Information of China (English)

    ZHAO Xin-ming; JIANG Hai; YIN Shao-hui; TIAN Zhi-gang

    2005-01-01

    Hydrogen is an important source of energy. The natural resouces of hydrogen is plenty and it gives us lots of heat, and it is clean. One of difficulties of developing hydrogen sources of energy is hydrogen storage. Hydrogen storage tank is either dangous or a little of capacity. Liquid hydrogen occupys small space. Liquefaction temprature of hydrogen is - 253℃and need better heat insulation protection, the volumn and weight of heat insulation layer are equal to hydrogen storage tank. Hydrogen storage utillizing hydrogen storage material is a very safety、 economical and effective method. Hydrogen storage material is either a medium of solid hydrogen storage or is negative pole active material of Ni-H battery,and is the one of key technoloy of fuel and Ni-H battery, it is an important material of new sources of energy too. Nanotechnology is introduced Mg-matrix hydrogen storage alloy and is achieved progress gteatly,but hydrogen storage alloy need be mede further improvment on applying investigation.

  15. Modeling leaks from liquid hydrogen storage systems.

    Energy Technology Data Exchange (ETDEWEB)

    Winters, William Stanley, Jr.

    2009-01-01

    This report documents a series of models for describing intended and unintended discharges from liquid hydrogen storage systems. Typically these systems store hydrogen in the saturated state at approximately five to ten atmospheres. Some of models discussed here are equilibrium-based models that make use of the NIST thermodynamic models to specify the states of multiphase hydrogen and air-hydrogen mixtures. Two types of discharges are considered: slow leaks where hydrogen enters the ambient at atmospheric pressure and fast leaks where the hydrogen flow is usually choked and expands into the ambient through an underexpanded jet. In order to avoid the complexities of supersonic flow, a single Mach disk model is proposed for fast leaks that are choked. The velocity and state of hydrogen downstream of the Mach disk leads to a more tractable subsonic boundary condition. However, the hydrogen temperature exiting all leaks (fast or slow, from saturated liquid or saturated vapor) is approximately 20.4 K. At these temperatures, any entrained air would likely condense or even freeze leading to an air-hydrogen mixture that cannot be characterized by the REFPROP subroutines. For this reason a plug flow entrainment model is proposed to treat a short zone of initial entrainment and heating. The model predicts the quantity of entrained air required to bring the air-hydrogen mixture to a temperature of approximately 65 K at one atmosphere. At this temperature the mixture can be treated as a mixture of ideal gases and is much more amenable to modeling with Gaussian entrainment models and CFD codes. A Gaussian entrainment model is formulated to predict the trajectory and properties of a cold hydrogen jet leaking into ambient air. The model shows that similarity between two jets depends on the densimetric Froude number, density ratio and initial hydrogen concentration.

  16. Hydrogen Fuel Cells and Storage Technology: Fundamental Research for Optimization of Hydrogen Storage and Utilization

    Energy Technology Data Exchange (ETDEWEB)

    Perret, Bob; Heske, Clemens; Nadavalath, Balakrishnan; Cornelius, Andrew; Hatchett, David; Bae, Chusung; Pang, Tao; Kim, Eunja; Hemmers, Oliver

    2011-03-28

    Design and development of improved low-cost hydrogen fuel cell catalytic materials and high-capacity hydrogenn storage media are paramount to enabling the hydrogen economy. Presently, effective and durable catalysts are mostly precious metals in pure or alloyed form and their high cost inhibits fuel cell applications. Similarly, materials that meet on-board hydrogen storage targets within total mass and volumetric constraints are yet to be found. Both hydrogen storage performance and cost-effective fuel cell designs are intimately linked to the electronic structure, morphology and cost of the chosen materials. The FCAST Project combined theoretical and experimental studies of electronic structure, chemical bonding, and hydrogen adsorption/desorption characteristics of a number of different nanomaterials and metal clusters to develop better fundamental understanding of hydrogen storage in solid state matrices. Additional experimental studies quantified the hydrogen storage properties of synthesized polyaniline(PANI)/Pd composites. Such conducting polymers are especially interesting because of their high intrinsic electron density and the ability to dope the materials with protons, anions, and metal species. Earlier work produced contradictory results: one study reported 7% to 8% hydrogen uptake while a second study reported zero hydrogen uptake. Cost and durability of fuel cell systems are crucial factors in their affordability. Limits on operating temperature, loss of catalytic reactivity and degradation of proton exchange membranes are factors that affect system durability and contribute to operational costs. More cost effective fuel cell components were sought through studies of the physical and chemical nature of catalyst performance, characterization of oxidation and reduction processes on system surfaces. Additional development effort resulted in a new hydrocarbon-based high-performance sulfonated proton exchange membrane (PEM) that can be manufactured at low

  17. Hydrogen Storage in Metal-Organic Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Omar M. Yaghi

    2012-04-26

    Conventional storage of large amounts of hydrogen in its molecular form is difficult and expensive because it requires employing either extremely high pressure gas or very low temperature liquid. Because of the importance of hydrogen as a fuel, the DOE has set system targets for hydrogen storage of gravimetric (5.5 wt%) and volumetric (40 g L-1) densities to be achieved by 2015. Given that these are system goals, a practical material will need to have higher capacity when the weight of the tank and associated cooling or regeneration system is considered. The size and weight of these components will vary substantially depending on whether the material operates by a chemisorption or physisorption mechanism. In the latter case, metal-organic frameworks (MOFs) have recently been identified as promising adsorbents for hydrogen storage, although little data is available for their sorption behavior. This grant was focused on the study of MOFs with these specific objectives. (1) To examine the effects of functionalization, catenation, and variation of the metal oxide and organic linkers on the low-pressure hydrogen adsorption properties of MOFs. (2) To develop a strategy for producing MOFs with high surface area and porosity to reduce the dead space and increase the hydrogen storage capacity per unit volume. (3) To functionalize MOFs by post synthetic functionalization with metals to improve the adsorption enthalpy of hydrogen for the room temperature hydrogen storage. This effort demonstrated the importance of open metal sites to improve the adsorption enthalpy by the systematic study, and this is also the origin of the new strategy, which termed isoreticular functionalization and metalation. However, a large pore volume is still a prerequisite feature. Based on our principle to design highly porous MOFs, guest-free MOFs with ultrahigh porosity have been experimentally synthesized. MOF-210, whose BET surface area is 6240 m2 g-1 (the highest among porous solids), takes up

  18. Composition and method for hydrogen storage

    Science.gov (United States)

    Mao, Wendy L. (Inventor); Mao, Ho-Kwang (Inventor)

    2004-01-01

    A method for hydrogen storage includes providing water and hydrogen gas to a containment volume, reducing the temperature of the water and hydrogen gas to form a hydrogen clathrate at a first cryogenic temperature and a first pressure and maintaining the hydrogen clathrate at second cryogenic temperature within a temperature range of up to 250 K to effect hydrogen storage. The low-pressure hydrogen hydrate includes H.sub.2 O molecules, H.sub.2 molecules and a unit cell including polyhedron cages of hydrogen-bonded frameworks of the H.sub.2 O molecules built around the H.sub.2 molecules.

  19. Recent Progress in Metal Borohydrides for Hydrogen Storage

    Directory of Open Access Journals (Sweden)

    Craig M. Jensen

    2011-01-01

    Full Text Available The prerequisite for widespread use of hydrogen as an energy carrier is the development of new materials that can safely store it at high gravimetric and volumetric densities. Metal borohydrides M(BH4n (n is the valence of metal M, in particular, have high hydrogen density, and are therefore regarded as one such potential hydrogen storage material. For fuel cell vehicles, the goal for on-board storage systems is to achieve reversible store at high density but moderate temperature and hydrogen pressure. To this end, a large amount of effort has been devoted to improvements in their thermodynamic and kinetic aspects. This review provides an overview of recent research activity on various M(BH4n, with a focus on the fundamental dehydrogenation and rehydrogenation properties and on providing guidance for material design in terms of tailoring thermodynamics and promoting kinetics for hydrogen storage.

  20. Storage of hydrogen on carbons; Stockage de l'hydrogene sur les carbones

    Energy Technology Data Exchange (ETDEWEB)

    Conard, J. [Centre National de la Recherche Scientifique, CNRS-CRMD, 45 - Orleans-la-Source (France)

    2000-07-01

    The storage of hydrogen on carbons, with densities above 10% hydrogen weight, can be used in the sector of transport. However, only the physical-sorption of this gas (which is almost perfect and boils at 20 K under atmospheric pressure) cannot explain this performance. A study of the possible sites for one hydrogen, which can take very different forms, is presented, in order to better understand the rational development of this storage mode which could reach about ten weight %. (O.M.)

  1. Chemical and physical solutions for hydrogen storage.

    Science.gov (United States)

    Eberle, Ulrich; Felderhoff, Michael; Schüth, Ferdi

    2009-01-01

    Hydrogen is a promising energy carrier in future energy systems. However, storage of hydrogen is a substantial challenge, especially for applications in vehicles with fuel cells that use proton-exchange membranes (PEMs). Different methods for hydrogen storage are discussed, including high-pressure and cryogenic-liquid storage, adsorptive storage on high-surface-area adsorbents, chemical storage in metal hydrides and complex hydrides, and storage in boranes. For the latter chemical solutions, reversible options and hydrolytic release of hydrogen with off-board regeneration are both possible. Reforming of liquid hydrogen-containing compounds is also a possible means of hydrogen generation. The advantages and disadvantages of the different systems are compared.

  2. Prospects for hydrogen storage in graphene.

    Science.gov (United States)

    Tozzini, Valentina; Pellegrini, Vittorio

    2013-01-07

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

  3. Hydrogen storage with titanium-functionalized graphene

    CERN Document Server

    Mashoff, Torge; Tanabe, Shinichi; Hibino, Hiroki; Beltram, Fabio; Heun, Stefan

    2013-01-01

    We report on hydrogen adsorption and desorption on titanium-covered graphene in order to test theoretical proposals to use of graphene functionalized with metal atoms for hydrogen storage. At room temperature titanium islands grow with an average diameter of about 10 nm. Samples were then loaded with hydrogen, and its desorption kinetics was studied by thermal desorption spectroscopy. We observe the desorption of hydrogen in the temperature range between 400K and 700 K. Our results demonstrate the stability of hydrogen binding at room temperature and show that hydrogen desorbs at moderate temperatures in line with what required for practical hydrogen-storage applications.

  4. Hydrogen storage and integrated fuel cell assembly

    Science.gov (United States)

    Gross, Karl J.

    2010-08-24

    Hydrogen is stored in materials that absorb and desorb hydrogen with temperature dependent rates. A housing is provided that allows for the storage of one or more types of hydrogen-storage materials in close thermal proximity to a fuel cell stack. This arrangement, which includes alternating fuel cell stack and hydrogen-storage units, allows for close thermal matching of the hydrogen storage material and the fuel cell stack. Also, the present invention allows for tailoring of the hydrogen delivery by mixing different materials in one unit. Thermal insulation alternatively allows for a highly efficient unit. Individual power modules including one fuel cell stack surrounded by a pair of hydrogen-storage units allows for distribution of power throughout a vehicle or other electric power consuming devices.

  5. Solid-State Hydrogen Storage Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Availability of a safe, low-pressure, lightweight, compact hydrogen storage system is an enabling technology for hydrogen electric fuel cell usage for space...

  6. Nickel hydrogen battery cell storage matrix test

    Science.gov (United States)

    Wheeler, James R.; Dodson, Gary W.

    1993-01-01

    Test were conducted to evaluate post storage performance of nickel hydrogen cells with various design variables, the most significant being nickel precharge versus hydrogen precharge. Test procedures and results are presented in outline and graphic form.

  7. Hydrogen Storage for Aircraft Applications Overview

    Science.gov (United States)

    Colozza, Anthony J.; Kohout, Lisa (Technical Monitor)

    2002-01-01

    Advances in fuel cell technology have brought about their consideration as sources of power for aircraft. This power can be utilized to run aircraft systems or even provide propulsion power. One of the key obstacles to utilizing fuel cells on aircraft is the storage of hydrogen. An overview of the potential methods of hydrogen storage was compiled. This overview identifies various methods of hydrogen storage and points out their advantages and disadvantages relative to aircraft applications. Minimizing weight and volume are the key aspects to storing hydrogen within an aircraft. An analysis was performed to show how changes in certain parameters of a given storage system affect its mass and volume.

  8. Carbon nanotube materials for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Dillon, A.C.; Parilla, P.A.; Jones, K.M.; Riker, G.; Heben, M.J. [National Renewable Energy Lab., Golden, CO (United States)

    1998-08-01

    Carbon single-wall nanotubes (SWNTs) are essentially elongated pores of molecular dimensions and are capable of adsorbing hydrogen at relatively high temperatures and low pressures. This behavior is unique to these materials and indicates that SWNTs are the ideal building block for constructing safe, efficient, and high energy density adsorbents for hydrogen storage applications. In past work the authors developed methods for preparing and opening SWNTs, discovered the unique adsorption properties of these new materials, confirmed that hydrogen is stabilized by physical rather than chemical interactions, measured the strength of interaction to be {approximately} 5 times higher than for adsorption on planar graphite, and performed infrared absorption spectroscopy to determine the chemical nature of the surface terminations before, during, and after oxidation. This year the authors have made significant advances in synthesis and characterization of SWNT materials so that they can now prepare gram quantities of high-purity SWNT samples and measure and control the diameter distribution of the tubes by varying key parameters during synthesis. They have also developed methods which purify nanotubes and cut nanotubes into shorter segments. These capabilities provide a means for opening the tubes which were unreactive to the oxidation methods that successfully opened tubes, and offer a path towards organizing nanotube segments to enable high volumetric hydrogen storage densities. They also performed temperature programmed desorption spectroscopy on high purity carbon nanotube material obtained from collaborator Prof. Patrick Bernier and finished construction of a high precision Seivert`s apparatus which will allow the hydrogen pressure-temperature-composition phase diagrams to be evaluated for SWNT materials.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-04-28

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

  10. DFT investigations of hydrogen storage materials

    Science.gov (United States)

    Wang, Gang

    Hydrogen serves as a promising new energy source having no pollution and abundant on earth. However the most difficult problem of applying hydrogen is to store it effectively and safely, which is smartly resolved by attempting to keep hydrogen in some metal hydrides to reach a high hydrogen density in a safe way. There are several promising metal hydrides, the thermodynamic and chemical properties of which are to be investigated in this dissertation. Sodium alanate (NaAlH4) is one of the promising metal hydrides with high hydrogen storage capacity around 7.4 wt. % and relatively low decomposition temperature of around 100 °C with proper catalyst. Sodium hydride is a product of the decomposition of NaAlH4 that may affect the dynamics of NaAlH4. The two materials with oxygen contamination such as OH- may influence the kinetics of the dehydriding/rehydriding processes. Thus the solid solubility of OH - groups (NaOH) in NaAlH4 and NaH is studied theoretically by DFT calculations. Magnesium boride [Mg(BH4)2] is has higher hydrogen capacity about 14.9 wt. % and the decomposition temparture of around 250 °C. However one flaw restraining its application is that some polyboron compounds like MgB12H12 preventing from further release of hydrogen. Adding some transition metals that form magnesium transition metal ternary borohydride [MgaTMb(BH4)c] may simply the decomposition process to release hydrogen with ternary borides (MgaTMbBc). The search for the probable ternary borides and the corresponding pseudo phase diagrams as well as the decomposition thermodynamics are performed using DFT calculations and GCLP method to present some possible candidates.

  11. Hydrogen storage by physisorption on porous materials

    Energy Technology Data Exchange (ETDEWEB)

    Panella, B.

    2006-09-13

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

  12. Effective hydrogen storage: a strategic chemistry challenge.

    Science.gov (United States)

    David, William I F

    2011-01-01

    This paper gives an overview of the current status and future potential of hydrogen storage from a chemistry perspective and is based on the concluding presentation of the Faraday Discussion 151--Hydrogen Storage Materials. The safe, effective and economical storage of hydrogen is one of the main scientific and technological challenges in the move towards a low-carbon economy. One key sector is transportation where future vehicles will most likely be developed around a balance of battery-electric and hydrogen fuel-cell electric technologies. Although there has been a very significant research effort in solid-state hydrogen storage, high-pressure gas storage combined with conventional metal hydrides is still seen as the current intermediate-term candidate for car manufacturers. Significant issues have arisen in the search for improved solid-state hydrogen storage materials; for example, facile reversibility has been a major challenge for many recently studied complex hydrides while physisorption in porous structures is still restricted to cryogenic temperatures. However, many systems fulfil the majority of necessary criteria for improved hydrogen storage--indeed, the discovery of reversibility in multicomponent hydride systems along with recent chemistry breakthroughs in off-board and solvent-assisted regeneration suggest that the goal of both improved on-board reversible and off-board regenerated hydrogen storage systems can be achieved.

  13. Sodium Alanate Nanoparticles for Hydrogen Storage

    NARCIS (Netherlands)

    Baldé, C.P.

    2008-01-01

    Preparation and characterization of sodium alanate (NaAlH4) based hydrogen storage materials are described in this book. The effect of the NaAlH4 particle size, particularly in the nanometer size range deposited on carbon materials, will be linked to the hydrogen storage characteristics. Moreover, r

  14. Study on Hydrogen Storage Materials

    Science.gov (United States)

    Sugiyama, Jun

    2016-09-01

    Complex hydrides have been heavily investigated as a hydrogen storage material, particularly for future vehicular applications. The present major problem of such complex hydrides is their relatively high hydrogen desorption temperature (Td). In order to find a predominant parameter for determining Td, we have investigated internal nuclear magnetic fields in several complex hydrides, such as, lithium and sodium alanates, borohydrides, and magnesium hydrides, with a muon spin rotation and relaxation (μ+SR) technique. At low temperatures, the μ+SR spectrum obtained in a zero external field (ZF) exhibits a clear oscillation due to the formation of a three spin 1/2 system, HμH, besides Mg(BH4)2 and Sc(BH4)2. Such oscillatory signal becomes weaker and weaker with increasing temperature, and finally disappears above around room temperature. However, the volume fraction of the HμH signal to the whole asymmetry at 5 K is found to be a good indicator for Td in borohydrides. At high temperatures, on the contrary, the ZF-spectrum for MgH2 shows a Kubo-Toyabe like relaxation due to a random nuclear magnetic field of 1H. Such nuclear magnetic field becomes dynamic well below Td in the milled MgH2, indicating a significant role on H-diffusion in solids for determining Td.

  15. Comparative analysis of the efficiencies of hydrogen storage systems utilising solid state H storage materials

    Energy Technology Data Exchange (ETDEWEB)

    Lototskyy, M., E-mail: mlototskyy@uwc.ac.za [South African Institute for Advanced Materials Chemistry, Faculty of Natural Sciences, University of the Western Cape, Private Bag X17, Bellville 7535 (South Africa); Yartys, V.A., E-mail: volodymyr.yartys@ife.no [Institute for Energy Technology, P.O. Box 40, Kjeller NO-2027 (Norway); Norwegian University of Science and Technology, Trondheim NO-7491 (Norway)

    2015-10-05

    Highlights: • Performance evaluation of H stores with various solid H storage materials was done. • Volumetric and gravimetric H storage densities and energy consumption were evaluated. • Effects of H storage containment and heat exchanger were estimated. • Pressure–temperature conditions of H storage strongly affect the overall performance. • Material’s packing density influences safety of operation and efficiency of H stores. - Abstract: Evaluation of the performances of hydrogen storage systems accommodating solid H storage materials should include characteristics on their reversible hydrogen storage capacity, operating pressures and temperatures, packing densities, and heat effects of hydrogen uptake and release. We have conducted a performance evaluation of the systems accumulating 5 kg of hydrogen in a containment of cylindrical geometry filled with a solid H storage material including such hydrides and reactive hydride composites as AlH{sub 3}, MgH{sub 2}, “low-temperature” (inter)metallic hydrides, NaAlH{sub 4}, Na{sub 3}AlH{sub 6}, LiBH{sub 4} + MgH{sub 2}, and MOFs. The analysis yielded gravimetric and volumetric H storage capacities, and energy efficiencies of hydrogen stores. We conclude that the weight efficiency of hydrogen stores, apart from the gravimetric H storage capacity of the material, is greatly affected by its packing density, and by the pressure–temperature conditions which determine type and dimensions of the containment. The materials with low heat effects of H exchange, operating close to the ambient conditions, should be targeted in the course of the development of new hydrogen stores as offering the best energy efficiency of their operation.

  16. Handheld hydrogen - a new concept for hydrogen storage

    DEFF Research Database (Denmark)

    Johannessen, Tue; Sørensen, Rasmus Zink

    2005-01-01

    A method of hydrogen storage using metal ammine complexes in combination with an ammonia decomposition catalyst is presented. This dense hydrogen storage material has high degree of safety compared to all the other available alternatives. This technology reduces the safety hazards of using liquid...... ammonia and benefits from the properties of ammonia as a fuel. The system can be used as a safe, reversible, low-cost hydrogen carrier....

  17. Hydrogen solubility in rare earth based hydrogen storage alloys

    Energy Technology Data Exchange (ETDEWEB)

    Uchida, Hirohisa [Tokai Univ., Kanagawa (Japan). School of Engineering; Kuji, Toshiro [Mitsui Mining and Smelting Co. Ltd., Saitama (Japan)

    1999-09-01

    This paper reviews significant results of recent studies on the hydrogen storage properties of rare earth based AB{sub 5} (A: rare earth element, B: transition element) alloys The hydrogen solubility and the hydride formation, typically appeared in pressure-composition isotherms (PCT), are strongly dependent upon alloy composition, structure, morphology and even alloy particle size. Typical experimental results are shown to describe how these factors affect the hydrogen solubility and storage properties.

  18. Handheld hydrogen - a new concept for hydrogen storage

    DEFF Research Database (Denmark)

    Johannessen, Tue; Sørensen, Rasmus Zink

    2005-01-01

    A method of hydrogen storage using metal ammine complexes in combination with an ammonia decomposition catalyst is presented. This dense hydrogen storage material has high degree of safety compared to all the other available alternatives. This technology reduces the safety hazards of using liquid...... ammonia and benefits from the properties of ammonia as a fuel. The system can be used as a safe, reversible, low-cost hydrogen carrier....

  19. Autothermal hydrogen storage and delivery systems

    Science.gov (United States)

    Pez, Guido Peter [Allentown, PA; Cooper, Alan Charles [Macungie, PA; Scott, Aaron Raymond [Allentown, PA

    2011-08-23

    Processes are provided for the storage and release of hydrogen by means of dehydrogenation of hydrogen carrier compositions where at least part of the heat of dehydrogenation is provided by a hydrogen-reversible selective oxidation of the carrier. Autothermal generation of hydrogen is achieved wherein sufficient heat is provided to sustain the at least partial endothermic dehydrogenation of the carrier at reaction temperature. The at least partially dehydrogenated and at least partially selectively oxidized liquid carrier is regenerated in a catalytic hydrogenation process where apart from an incidental employment of process heat, gaseous hydrogen is the primary source of reversibly contained hydrogen and the necessary reaction energy.

  20. Hydrogen storage in metal-organic frameworks.

    Science.gov (United States)

    Hu, Yun Hang; Zhang, Lei

    2010-05-25

    Metal-organic frameworks (MOFs) are highly attractive materials because of their ultra-high surface areas, simple preparation approaches, designable structures, and potential applications. In the past several years, MOFs have attracted worldwide attention in the area of hydrogen energy, particularly for hydrogen storage. In this review, the recent progress of hydrogen storage in MOFs is presented. The relationships between hydrogen capacities and structures of MOFs are evaluated, with emphasis on the roles of surface area and pore size. The interaction mechanism between H(2) and MOFs is discussed. The challenges to obtain a high hydrogen capacity at ambient temperature are explored.

  1. Nanostructured polymeric materials for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Di-Jia [Argonne National Lab. (ANL), Argonne, IL (United States; Yu, Luping [Argonne National Lab. (ANL), Argonne, IL (United States

    2013-03-01

    The objective of this project is to develop a new class of hydrogen storage adsorbent, nanostructured porous organic polymers (POPs), through collaboration between Argonne National Laboratory and The University of Chicago. POPs have excellent thermal stability and tolerance to gas contaminants such as moisture. They also have low skeleton density and high intrinsic porosity via covalent bonds, capable of maintaining specific surface area (SSA) during high pressure pelletizing for better volumetric density. Furthermore, they can be produced at a commercial scale with the existing industrial infrastructure. The team’s approach focused on improving hydrogen uptake capacity and the heat of adsorption by enhancing SSA, porosity control, and framework-adsorbate interactions through rational design and synthesis at the molecular level. The design principles aim at improving the following attributes of the polymers: (a) high SSA to provide sufficient interface with H2; (b) narrow pore diameter to enhance van der Waals interactions in the confined space; and (c) “metallic” features, either through π- conjugation or metal doping, to promote electronic orbital interactions with hydrogen.

  2. Storage, transmission and distribution of hydrogen

    Science.gov (United States)

    Kelley, J. H.; Hagler, R., Jr.

    1979-01-01

    Current practices and future requirements for the storage, transmission and distribution of hydrogen are reviewed in order to identify inadequacies to be corrected before hydrogen can achieve its full potential as a substitute for fossil fuels. Consideration is given to the storage of hydrogen in underground solution-mined salt caverns, portable high-pressure containers and dewars, pressure vessels and aquifers and as metal hydrides, hydrogen transmission in evacuated double-walled insulated containers and by pipeline, and distribution by truck and internal distribution networks. Areas for the improvement of these techniques are indicated, and these technological deficiencies, including materials development, low-cost storage and transmission methods, low-cost, long-life metal hydrides and novel methods for hydrogen storage, are presented as challenges for research and development.

  3. Designing Microporus Carbons for Hydrogen Storage Systems

    Energy Technology Data Exchange (ETDEWEB)

    Alan C. Cooper

    2012-05-02

    An efficient, cost-effective hydrogen storage system is a key enabling technology for the widespread introduction of hydrogen fuel cells to the domestic marketplace. Air Products, an industry leader in hydrogen energy products and systems, recognized this need and responded to the DOE 'Grand Challenge' solicitation (DOE Solicitation DE-PS36-03GO93013) under Category 1 as an industry partner and steering committee member with the National Renewable Energy Laboratory (NREL) in their proposal for a center-of-excellence on Carbon-Based Hydrogen Storage Materials. This center was later renamed the Hydrogen Sorption Center of Excellence (HSCoE). Our proposal, entitled 'Designing Microporous Carbons for Hydrogen Storage Systems,' envisioned a highly synergistic 5-year program with NREL and other national laboratory and university partners.

  4. Hydrogen storage and delivery system development

    Energy Technology Data Exchange (ETDEWEB)

    Handrock, J.L.; Wally, K.; Raber, T.N. [Sandia National Labs., Livermore, CA (United States)

    1995-09-01

    Hydrogen storage and delivery is an important element in effective hydrogen utilization for energy applications and is an important part of the FY1994-1998 Hydrogen Program Implementation Plan. The purpose of this project is to develop a platform for the engineering evaluation of hydrogen storage and delivery systems with an added focus on lightweight hydride utilization. Hybrid vehicles represent the primary application area of interest, with secondary interests including such items as existing vehicles and stationary uses. The near term goal is the demonstration of an internal combustion engine/storage/delivery subsystem. The long term goal is optimization of storage technologies for both vehicular and industrial stationary uses. In this project an integrated approach is being used to couple system operating characteristics to hardware development. A model has been developed which integrates engine and storage material characteristics into the design of hydride storage and delivery systems. By specifying engine operating parameters, as well as a variety of storage/delivery design features, hydride bed sizing calculations are completed. The model allows engineering trade-off studies to be completed on various hydride material/delivery system configurations. A more generalized model is also being developed to allow the performance characteristics of various hydrogen storage and delivery systems to be compared (liquid, activated carbon, etc.). Many of the features of the hydride storage model are applicable to the development of this more generalized model.

  5. Hydrogen storage in Chabazite zeolite frameworks.

    Science.gov (United States)

    Regli, Laura; Zecchina, Adriano; Vitillo, Jenny G; Cocina, Donato; Spoto, Giuseppe; Lamberti, Carlo; Lillerud, Karl P; Olsbye, Unni; Bordiga, Silvia

    2005-09-07

    We have recently highlighted that H-SSZ-13, a highly siliceous zeolite (Si/Al = 11.6) with a chabazitic framework, is the most efficient zeolitic material for hydrogen storage [A. Zecchina, S. Bordiga, J. G. Vitillo, G. Ricchiardi, C. Lamberti, G. Spoto, M. Bjørgen and K. P. Lillerud, J. Am. Chem. Soc., 2005, 127, 6361]. The aim of this new study is thus to clarify both the role played by the acidic strength and by the density of the polarizing centers hosted in the same framework topology in the increase of the adsorptive capabilities of the chabazitic materials towards H2. To achieve this goal, the volumetric experiments of H2 uptake (performed at 77 K) and the transmission IR experiment of H2 adsorption at 15 K have been performed on H-SSZ-13, H-SAPO-34 (the isostructural silico-aluminophosphate material with the same Brønsted site density) and H-CHA (the standard chabazite zeolite: Si/Al = 2.1) materials. We have found that a H2 uptake improvement has been obtained by increasing the acidic strength of the Brønsted sites (moving from H-SAPO-34 to H-SSZ-13). Conversely, the important increase of the Brønsted sites density (moving from H-SSZ-13 to H-CHA) has played a negative role. This unexpected behavior has been explained as follows. The additional Brønsted sites are in mutual interaction via H-bonds inside the small cages of the chabazitic framework and for most of them the energetic cost needed to displace the adjacent OH ligand is higher than the adsorption enthalpy of the OH...H2 adduct. From our work it can be concluded that proton exchanged chabazitic frameworks represent, among zeolites, the most efficient materials for hydrogen storage. We have shown that a proper balance between available space (volume accessible to hydrogen), high contact surface, and specific interaction with strong and isolated polarizing centers are the necessary characteristics requested to design better materials for molecular H2 storage.

  6. Hydrogen storage technology materials and applications

    CERN Document Server

    Klebanoff, Lennie

    2012-01-01

    Zero-carbon, hydrogen-based power technology offers the most promising long-term solution for a secure and sustainable energy infrastructure. With contributions from the world's leading technical experts in the field, Hydrogen Storage Technology: Materials and Applications presents a broad yet unified account of the various materials science, physics, and engineering aspects involved in storing hydrogen gas so that it can be used to provide power. The book helps you understand advanced hydrogen storage materials and how to build systems around them. Accessible to nonscientists, the first chapt

  7. DEVELOPMENT OF DOPED NANOPOROUS CARBONS FOR HYDROGEN STORAGE

    Energy Technology Data Exchange (ETDEWEB)

    Lueking, Angela D.; Li, Qixiu; Badding, John V.; Fonseca, Dania; Gutierrez, Humerto; Sakti, Apurba; Adu, Kofi; Schimmel, Michael

    2010-03-31

    Hydrogen storage materials based on the hydrogen spillover mechanism onto metal-doped nanoporous carbons are studied, in an effort to develop materials that store appreciable hydrogen at ambient temperatures and moderate pressures. We demonstrate that oxidation of the carbon surface can significantly increase the hydrogen uptake of these materials, primarily at low pressure. Trace water present in the system plays a role in the development of active sites, and may further be used as a strategy to increase uptake. Increased surface density of oxygen groups led to a significant enhancement of hydrogen spillover at pressures less than 100 milibar. At 300K, the hydrogen uptake was up to 1.1 wt. % at 100 mbar and increased to 1.4 wt. % at 20 bar. However, only 0.4 wt% of this was desorbable via a pressure reduction at room temperature, and the high lowpressure hydrogen uptake was found only when trace water was present during pretreatment. Although far from DOE hydrogen storage targets, storage at ambient temperature has significant practical advantages oner cryogenic physical adsorbents. The role of trace water in surface modification has significant implications for reproducibility in the field. High-pressure in situ characterization of ideal carbon surfaces in hydrogen suggests re-hybridization is not likely under conditions of practical interest. Advanced characterization is used to probe carbon-hydrogen-metal interactions in a number of systems and new carbon materials have been developed.

  8. Hydrogen Storage Technologies for Future Energy Systems.

    Science.gov (United States)

    Preuster, Patrick; Alekseev, Alexander; Wasserscheid, Peter

    2017-06-07

    Future energy systems will be determined by the increasing relevance of solar and wind energy. Crude oil and gas prices are expected to increase in the long run, and penalties for CO2 emissions will become a relevant economic factor. Solar- and wind-powered electricity will become significantly cheaper, such that hydrogen produced from electrolysis will be competitively priced against hydrogen manufactured from natural gas. However, to handle the unsteadiness of system input from fluctuating energy sources, energy storage technologies that cover the full scale of power (in megawatts) and energy storage amounts (in megawatt hours) are required. Hydrogen, in particular, is a promising secondary energy vector for storing, transporting, and distributing large and very large amounts of energy at the gigawatt-hour and terawatt-hour scales. However, we also discuss energy storage at the 120-200-kWh scale, for example, for onboard hydrogen storage in fuel cell vehicles using compressed hydrogen storage. This article focuses on the characteristics and development potential of hydrogen storage technologies in light of such a changing energy system and its related challenges. Technological factors that influence the dynamics, flexibility, and operating costs of unsteady operation are therefore highlighted in particular. Moreover, the potential for using renewable hydrogen in the mobility sector, industrial production, and the heat market is discussed, as this potential may determine to a significant extent the future economic value of hydrogen storage technology as it applies to other industries. This evaluation elucidates known and well-established options for hydrogen storage and may guide the development and direction of newer, less developed technologies.

  9. Hydrogen storage and delivery system development: Fabrication

    Energy Technology Data Exchange (ETDEWEB)

    Handrock, J.L.; Malinowski, M.E.; Wally, K. [Sandia National Lab., Livermore, CA (United States)

    1996-10-01

    Hydrogen storage and delivery is an important element in effective hydrogen utilization for energy applications and is an important part of the FY1994-1998 Hydrogen Program Implementation Plan. This project is part of the Field Work Proposal entitled Hydrogen Utilization in Internal Combustion Engines (ICE). The goal of the Hydrogen Storage and Delivery System Development Project is to expand the state-of-the-art of hydrogen storage and delivery system design and development. At the foundation of this activity is the development of both analytical and experimental evaluation platforms. These tools provide the basis for an integrated approach for coupling hydrogen storage and delivery technology to the operating characteristics of potential hydrogen energy use applications. Analytical models have been developed for internal combustion engine (ICE) hybrid and fuel cell driven vehicles. The dependence of hydride storage system weight and energy use efficiency on engine brake efficiency and exhaust temperature for ICE hybrid vehicle applications is examined. Results show that while storage system weight decreases with increasing engine brake efficiency energy use efficiency remains relatively unchanged. The development, capability, and use of a newly developed fuel cell vehicle hydride storage system model will also be discussed. As an example of model use power distribution and control for a simulated driving cycle is presented. An experimental test facility, the Hydride Bed Testing Laboratory (HBTL) has been designed and fabricated. The development of this facility and its use in storage system development will be reviewed. These two capabilities (analytical and experimental) form the basis of an integrated approach to storage system design and development. The initial focus of these activities has been on hydride utilization for vehicular applications.

  10. Modeling hydrogen storage in boron-substituted graphene decorated with potassium metal atoms

    CSIR Research Space (South Africa)

    Tokarev, A

    2015-03-01

    Full Text Available Boron-substituted graphene decorated with potassium metal atoms was considered as a novel material for hydrogen storage. Density functional theory calculations were used to model key properties of the material, such as geometry, hydrogen packing...

  11. Complex hydrides for hydrogen storage – new perspectives

    Directory of Open Access Journals (Sweden)

    Morten B. Ley

    2014-04-01

    Full Text Available Since the 1970s, hydrogen has been considered as a possible energy carrier for the storage of renewable energy. The main focus has been on addressing the ultimate challenge: developing an environmentally friendly successor for gasoline. This very ambitious goal has not yet been fully reached, as discussed in this review, but a range of new lightweight hydrogen-containing materials has been discovered with fascinating properties. State-of-the-art and future perspectives for hydrogen-containing solids will be discussed, with a focus on metal borohydrides, which reveal significant structural flexibility and may have a range of new interesting properties combined with very high hydrogen densities.

  12. Metal–organic frameworks for hydrogen storage

    CSIR Research Space (South Africa)

    Langmi, Henrietta W

    2015-08-01

    Full Text Available Over the past decade, hydrogen storage in metal-organic frameworks (MOFs) has received increasing attention worldwide because they possess versatile structures, high surface areas, large free volumes, ultrahigh porosities, and tunable pore...

  13. Pad B Liquid Hydrogen Storage Tank

    Science.gov (United States)

    Hall, Felicia

    2007-01-01

    Kennedy Space Center is home to two liquid hydrogen storage tanks, one at each launch pad of Launch Complex 39. The liquid hydrogen storage tank at Launch Pad B has a significantly higher boil off rate that the liquid hydrogen storage tank at Launch Pad A. This research looks at various calculations concerning the at Launch Pad B in an attempt to develop a solution to the excess boil off rate. We will look at Perlite levels inside the tank, Boil off rates, conductive heat transfer, and radiant heat transfer through the tank. As a conclusion to the research, we will model the effects of placing an external insulation to the tank in order to reduce the boil off rate and increase the economic efficiency of the liquid hydrogen storage tanks.

  14. Recent progress in hydrogen storage

    Directory of Open Access Journals (Sweden)

    Ping Chen

    2008-12-01

    Full Text Available The ever-increasing demand for energy coupled with dwindling fossil fuel resources make the establishment of a clean and sustainable energy system a compelling need. Hydrogen-based energy systems offer potential solutions. Although, in the long-term, the ultimate technological challenge is large-scale hydrogen production from renewable sources, the pressing issue is how to store hydrogen efficiently on board hydrogen fuel-cell vehicles1,2.

  15. Thermal management technology for hydrogen storage: Fullerene option

    Energy Technology Data Exchange (ETDEWEB)

    Wang, J.C.; Chen, F.C.; Murphy, R.W. [Oak Ridge National Lab., TN (United States)

    1996-10-01

    Fullerenes are selected as the first option for investigating advanced thermal management technologies for hydrogen storage because of their potentially high volumetric and gravimetric densities. Experimental results indicate that about 6 wt% of hydrogen (corresponding to C{sub 60}H{sub 48}) can be added to and taken out of fullerenes. A model assuming thermally activated hydrogenation and dehydrogenation processes was developed to explain the experimental findings. The activation energies were estimated to be 100 and 160 kJ/mole (1.0 and 1.6 eV/H{sub 2}) for the hydrogenation and dehydrogenation processes, respectively. The difference is interpreted as the heat released during hydrogenation. There are indications that the activation energies and the heat of hydrogenation can be modified by the use of catalysts. Preliminary hydrogen storage simulations for a conceptually simple device were performed. A 1-m long hollow metal cylinder with an inner diameter of 0.02 m was assumed to be filled with fullerene powders. The results indicate that the thermal diffusivity of the fullerenes controls the hydrogenation and dehydrogenation rates. The rates can be significantly modified by changing the thermal diffusivity of the material inside the cylinder, e.g., by incorporating a metal mesh. Results from the simulation suggest that thermal management is essential for efficient hydrogen storage devices using fullerenes. While the preliminary models developed in this study explain some of the observation, more controlled experiments, rigorous model development, and physical property determinations are needed for the development of practical hydrogen storage devices. The use of catalysts to optimize the hydrogen storage characteristics of fullerenes also needs to be pursued. Future cooperative work between Oak Ridge National Laboratory (ORNL) and Material & Electrochemical Research Corporation (MER) is planned to address these needs.

  16. Hydrogen transport and storage in engineered microspheres

    Energy Technology Data Exchange (ETDEWEB)

    Rambach, G. [Lawrence Livermore National Lab., CA (United States); Hendricks, C. [W.J. Schafer Associates, Livermore, CA (United States)

    1996-10-01

    This project is a collaboration between Lawrence Livermore National Laboratory (LLNL) and W.J. Schafer Associates (WJSA). The authors plan to experimentally verify the performance characteristics of engineered glass microspheres that are relevant to the storage and transport of hydrogen for energy applications. They will identify the specific advantages of hydrogen transport by microspheres, analyze the infrastructure implications and requirements, and experimentally measure their performance characteristics in realistic, bulk storage situations.

  17. Carbon nanotube materials for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Dillon, A.C.; Jones, K.M.; Heben, M.J. [National Renewable Energy Lab., Golden, CO (United States)

    1996-10-01

    Hydrogen burns pollution-free and may be produced from renewable energy resources. It is therefore an ideal candidate to replace fossil fuels as an energy carrier. However, the lack of a convenient and cost-effective hydrogen storage system greatly impedes the wide-scale use of hydrogen in both domestic and international markets. Although several hydrogen storage options exist, no approach satisfies all of the efficiency, size, weight, cost and safety requirements for transportation or utility use. A material consisting exclusively of micropores with molecular dimensions could simultaneously meet all of the requirements for transportation use if the interaction energy for hydrogen was sufficiently strong to cause hydrogen adsorption at ambient temperatures. Small diameter ({approx}1 mm) carbon single-wall nanotubes (SWNTs) are elongated micropores of molecular dimensions, and materials composed predominantly of SWNTs may prove to be the ideal adsorbent for ambient temperature storage of hydrogen. Last year the authors reported that hydrogen could be adsorbed on arc-generated soots containing 12{Angstrom} diameter nanotubes at temperatures in excess of 285K. In this past year they have learned that such adsorption does not occur on activated carbon materials, and that the cobalt nanoparticles present in their arc-generated soots are not responsible for the hydrogen which is stable at 285 K. These results indicate that enhanced adsorption forces within the internal cavities of the SWNTs are active in stabilizing hydrogen at elevated temperatures. This enhanced stability could lead to effective hydrogen storage under ambient temperature conditions. In the past year the authors have also demonstrated that single-wall carbon nanotubes in arc-generated soots may be selectively opened by oxidation in H{sub 2}O resulting in improved hydrogen adsorption, and they have estimated experimentally that the amount of hydrogen stored is {approximately}10% of the nanotube weight.

  18. Superior hydrogen storage in high entropy alloys

    Science.gov (United States)

    Sahlberg, Martin; Karlsson, Dennis; Zlotea, Claudia; Jansson, Ulf

    2016-11-01

    Metal hydrides (MHx) provide a promising solution for the requirement to store large amounts of hydrogen in a future hydrogen-based energy system. This requires the design of alloys which allow for a very high H/M ratio. Transition metal hydrides typically have a maximum H/M ratio of 2 and higher ratios can only be obtained in alloys based on rare-earth elements. In this study we demonstrate, for the first time to the best of our knowledge, that a high entropy alloy of TiVZrNbHf can absorb much higher amounts of hydrogen than its constituents and reach an H/M ratio of 2.5. We propose that the large hydrogen-storage capacity is due to the lattice strain in the alloy that makes it favourable to absorb hydrogen in both tetrahedral and octahedral interstitial sites. This observation suggests that high entropy alloys have future potential for use as hydrogen storage materials.

  19. Hydrogen storage and delivery system development: Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Handrock, J.L. [Sandia National Labs., Livermore, CA (United States)

    1996-10-01

    Hydrogen storage and delivery is an important element in effective hydrogen utilization for energy applications and is an important part of the FY1994-1998 Hydrogen Program Implementation Plan. This project is part of the Field Work Proposal entitled Hydrogen Utilization in Internal Combustion Engines (ICE). The goal of the Hydrogen Storage and Delivery System Development Project is to expand the state-of-the-art of hydrogen storage and delivery system design and development. At the foundation of this activity is the development of both analytical and experimental evaluation platforms. These tools provide the basis for an integrated approach for coupling hydrogen storage and delivery technology to the operating characteristics of potential hydrogen energy use applications. Results of the analytical model development portion of this project will be discussed. Analytical models have been developed for internal combustion engine (ICE) hybrid and fuel cell driven vehicles. The dependence of hydride storage system weight and energy use efficiency on engine brake efficiency and exhaust temperature for ICE hybrid vehicle applications is examined. Results show that while storage system weight decreases with increasing engine brake efficiency energy use efficiency remains relatively unchanged. The development, capability, and use of a recently developed fuel cell vehicle storage system model will also be discussed. As an example of model use, power distribution and control for a simulated driving cycle is presented. Model calibration results of fuel cell fluid inlet and exit temperatures at various fuel cell idle speeds, assumed fuel cell heat capacities, and ambient temperatures are presented. The model predicts general increases in temperature with fuel cell power and differences between inlet and exit temperatures, but under predicts absolute temperature values, especially at higher power levels.

  20. MXene: a new family of promising hydrogen storage medium.

    Science.gov (United States)

    Hu, Qianku; Sun, Dandan; Wu, Qinghua; Wang, Haiyan; Wang, Libo; Liu, Baozhong; Zhou, Aiguo; He, Julong

    2013-12-27

    Searching for reversible hydrogen storage materials operated under ambient conditions is a big challenge for material scientists and chemists. In this work, using density functional calculations, we systematically investigated the hydrogen storage properties of the two-dimensional (2D) Ti2C phase, which is a representative of the recently synthesized MXene materials ( ACS Nano 2012 , 6 , 1322 ). As a constituent element of 2D Ti2C phase, the Ti atoms are fastened tightly by the strong Ti-C covalent bonds, and thus the long-standing clustering problem of transition metal does not exist. Combining with the calculated binding energy of 0.272 eV, ab initio molecular dynamic simulations confirmed the hydrogen molecules (3.4 wt % hydrogen storage capacity) bound by Kubas-type interaction can be adsorbed and released reversibly under ambient conditions. Meanwhile, the hydrogen storage properties of the other two MXene phases (Sc2C and V2C) were also evaluated, and the results were similar to those of Ti2C. Therefore, the MXene family including more than 20 members was expected to be a good candidate for reversible hydrogen storage materials under ambient conditions.

  1. High-capacity hydrogen storage in Al-adsorbed graphene

    Science.gov (United States)

    Ao, Z. M.; Peeters, F. M.

    2010-05-01

    A high-capacity hydrogen storage medium—Al-adsorbed graphene—is proposed based on density-functional theory calculations. We find that a graphene layer with Al adsorbed on both sides can store hydrogen up to 13.79wt% with average adsorption energy -0.193eV/H2 . Its hydrogen storage capacity is in excess of 6wt% , surpassing U. S. Department of Energy (DOE’s) target. Based on the binding-energy criterion and molecular-dynamics calculations, we find that hydrogen storage can be recycled at near ambient conditions. This high-capacity hydrogen storage is due to the adsorbed Al atoms that act as bridges to link the electron clouds of the H2 molecules and the graphene layer. As a consequence, a two-layer arrangement of H2 molecules is formed on each side of the Al-adsorbed graphene layer. The H2 concentration in the hydrogen storage medium can be measured by the change in the conductivity of the graphene layer.

  2. Improved metal hydride technology for the storage of hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Sapru, K.; Ming, L.; Ramachandran, S. [Energy Conversion Devices, Inc., Troy, MI (United States)] [and others

    1995-09-01

    Low cost, high density storage of hydrogen will remove the most serious barrier to large-scale utilization of hydrogen as a non-polluting, zero-emission fuel. An important challenge for the practical use of Mg-based, high capacity hydrogen storage alloys has been the development of a low-cost, bulk production technique. Two difficulties in preparation of Mg-based alloys are the immiscibility of Mg with many transition metals and the relatively high volatility of Mg compared to many transition metals. These factors preclude the use of conventional induction melting techniques for the Mg-based alloy preparation. A mechanical alloying technique, in which Mg immiscibility and volatility do not present a problem, was developed and shows great promise for production of Mg-based alloys. A number of Mg-based alloys were prepared via modified induction melting and mechanical alloying methods. The alloys were tested for gas phase hydrogen storage properties, composition, structure and morphology. The mechanically alloyed samples are multi-component, multi-phase, highly disordered materials in their as-prepared state. These unoptimized alloys have shown reversible H-storage capacity of more than 5 wt.% hydrogen. After 2000 absorption/desorption cycles, the alloys show no decline in storage capacity or desorption kinetics. The alloys have also demonstrated resistance to CH{sub 4} and CO poisoning in preliminary testing. Upon annealing, with an increase in crystallinity, the H-storage capacity decreases, indicating the importance of disorder.

  3. LIGHT-WEIGHT NANOCRYSTALLINE HYDROGEN STORAGE MATERIALS

    Energy Technology Data Exchange (ETDEWEB)

    S. G. Sankar; B. Zande; R.T. Obermyer; S. Simizu

    2005-11-21

    During Phase I of this SBIR Program, Advanced Materials Corporation has addressed two key issues concerning hydrogen storage: 1. We have conducted preliminary studies on the effect of certain catalysts in modifying the hydrogen absorption characteristics of nanocrystalline magnesium. 2. We have also conducted proof-of-concept design and construction of a prototype instrument that would rapidly screen materials for hydrogen storage employing chemical combinatorial technique in combination with a Pressure-Composition Isotherm Measurement (PCI) instrument. 3. Preliminary results obtained in this study approach are described in this report.

  4. Hydrogen storage systems from waste Mg alloys

    Science.gov (United States)

    Pistidda, C.; Bergemann, N.; Wurr, J.; Rzeszutek, A.; Møller, K. T.; Hansen, B. R. S.; Garroni, S.; Horstmann, C.; Milanese, C.; Girella, A.; Metz, O.; Taube, K.; Jensen, T. R.; Thomas, D.; Liermann, H. P.; Klassen, T.; Dornheim, M.

    2014-12-01

    The production cost of materials for hydrogen storage is one of the major issues to be addressed in order to consider them suitable for large scale applications. In the last decades several authors reported on the hydrogen sorption properties of Mg and Mg-based systems. In this work magnesium industrial wastes of AZ91 alloy and Mg-10 wt.% Gd alloy are used for the production of hydrogen storage materials. The hydrogen sorption properties of the alloys were investigated by means of volumetric technique, in situ synchrotron radiation powder X-ray diffraction (SR-PXD) and calorimetric methods. The measured reversible hydrogen storage capacity for the alloys AZ91 and Mg-10 wt.% Gd are 4.2 and 5.8 wt.%, respectively. For the Mg-10 wt.% Gd alloy, the hydrogenated product was also successfully used as starting reactant for the synthesis of Mg(NH2)2 and as MgH2 substitute in the Reactive Hydride Composite (RHC) 2LiBH4 + MgH2. The results of this work demonstrate the concrete possibility to use Mg alloy wastes for hydrogen storage purposes.

  5. Development of hydrogen storage technologies

    CSIR Research Space (South Africa)

    Langmi, Henrietta W

    2015-10-01

    Full Text Available The use of hydrogen to deliver energy for cars, portable devices and buildings is seen as one of the key steps to reduce greenhouse gas emissions. South Africa’s national hydrogen strategy, HySA, aims to develop and guide innovation along the value...

  6. Novel developments in hydrogen storage, hydrogen activation and ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Doroodian, Amir

    2010-12-03

    This dissertation is divided into three chapters. Recently, metal-free hydrogen activation using phosphorous compounds has been reported in science magazine. We have investigated the interaction between hydrogen and phosphorous compounds in presence of strong Lewis acids (chapter one). A new generation of metal-free hydrogen activation, using amines and strong Lewis acids with sterically demanding nature, was already developed in our group. Shortage of high storage capacity using large substitution to improve sterical effect led us to explore the amine borane derivatives, which are explained in chapter two. Due to the high storage capacity of hydrogen in aminoborane derivatives, we have explored these materials to extend hydrogen release. These compounds store hydrogen as proton and hydride on adjacent atoms or ions. These investigations resulted in developing hydrogen storage based on ionic liquids containing methyl guanidinium cation. Then we have continued to develop ionic liquids based on methyl guanidinium cation with different anions, such as tetrafluoro borate (chapter three). We have replaced these anions with transition metal anions to investigate hydrogen bonding and catalytic activity of ionic liquids. This chapter illustrates the world of ionic liquid as a green solvent for organic, inorganic and catalytic reactions and combines the concept of catalysts and solvents based on ionic liquids. The catalytic activity is investigated particularly with respect to the interaction with CO{sub 2}. (orig.)

  7. Hydrogen storage in complex metal hydrides

    Directory of Open Access Journals (Sweden)

    BORISLAV BOGDANOVIĆ

    2009-02-01

    Full Text Available Complex metal hydrides such as sodium aluminohydride (NaAlH4 and sodium borohydride (NaBH4 are solid-state hydrogen-storage materials with high hydrogen capacities. They can be used in combination with fuel cells as a hydrogen source thus enabling longer operation times compared with classical metal hydrides. The most important point for a wide application of these materials is the reversibility under moderate technical conditions. At present, only NaAlH4 has favourable thermodynamic properties and can be employed as a thermally reversible means of hydrogen storage. By contrast, NaBH4 is a typical non- -reversible complex metal hydride; it reacts with water to produce hydrogen.

  8. Highly efficient hydrogen storage system based on ammonium bicarbonate/formate redox equilibrium over palladium nanocatalysts.

    Science.gov (United States)

    Su, Ji; Yang, Lisha; Lu, Mi; Lin, Hongfei

    2015-03-01

    A highly efficient, reversible hydrogen storage-evolution process has been developed based on the ammonium bicarbonate/formate redox equilibrium over the same carbon-supported palladium nanocatalyst. This heterogeneously catalyzed hydrogen storage system is comparable to the counterpart homogeneous systems and has shown fast reaction kinetics of both the hydrogenation of ammonium bicarbonate and the dehydrogenation of ammonium formate under mild operating conditions. By adjusting temperature and pressure, the extent of hydrogen storage and evolution can be well controlled in the same catalytic system. Moreover, the hydrogen storage system based on aqueous-phase ammonium formate is advantageous owing to its high volumetric energy density.

  9. Metal-functionalized silicene for efficient hydrogen storage.

    Science.gov (United States)

    Hussain, Tanveer; Chakraborty, Sudip; Ahuja, Rajeev

    2013-10-21

    First-principles calculations based on density functional theory are used to investigate the electronic structure along with the stability, bonding mechanism, band gap, and charge transfer of metal-functionalized silicene to envisage its hydrogen-storage capacity. Various metal atoms including Li, Na, K, Be, Mg, and Ca are doped into the most stable configuration of silicene. The corresponding binding energies and charge-transfer mechanisms are discussed from the perspective of hydrogen-storage compatibility. The Li and Na metal dopants are found to be ideally suitable, not only for strong metal-to-substrate binding and uniform distribution over the substrate, but also for the high-capacity storage of hydrogen. The stabilities of both Li- and Na-functionalized silicene are also confirmed through molecular dynamics simulations. It is found that both of the alkali metals, Li(+) and Na(+), can adsorb five hydrogen molecules, attaining reasonably high storage capacities of 7.75 and 6.9 wt %, respectively, with average adsorption energies within the range suitable for practical hydrogen-storage applications.

  10. Ti-MOFs for Hydrogen Storage

    Science.gov (United States)

    Sun, Q.; Li, S.; Wang, Q.; Jena, P.

    2007-03-01

    Recently, metal-organic frameworks (MOFs) have attracted considerable interest as hydrogen storage materials owing to their unique properties. Among MOFs, MOF-5 (Zn-MOF) is superior because of its high thermal stability, large surface area, and extra high porosity, which is ideal for gas storage applications. Can we improve the hydrogen uptake in MOF-5 by replacing Zn with different metal atoms? Experimentally, Cu-MOFs have already shown higher hydrogen uptake at low pressures compared with Zn-MOFs, which makes Cu-MOFs promising candidates for hydrogen storage. By means of first principles calculations, we have replaced Zn with Cu and Ti. Ti doping has already been introduced in C60 and carbon-nanotubes to improve hydrogen uptake. By comparing Zn, Cu and Ti, we found that Ti substitution presents the highest binding energy to H2 molecule, while Cu and Zn show similar binding energy to H2 molecule. Therefore, Ti-MOFs can be prospective materials for hydrogen storage applications.

  11. GTI's hydrogen programs: hydrogen production, storage, and applications

    Institute of Scientific and Technical Information of China (English)

    范钦柏

    2006-01-01

    The use of hydrogen as an energy carrier could help address our concerns about energy security, global climate change,and air quality. Fuel cells are an important enabling technology for the Hydrogen Future and have the potential to revolutionize theway we power our nation, offering cleaner, more-efficient alternatives to the combustion of gasoline and other fossil fuels.For over 45 years, GTI has been active in hydrogen energy research, development and demonstration. The Institute has extensive experience and on-going work in all aspects of the hydrogen energy economy including production, delivery, infrastructure,use, safety and public policy. This paper discusses the recent GTI programs in hydrogen production, hydrogen storage, and proton exchange membrane fuel cells (PEMFC) and solid oxide fuel cells (SOFC).

  12. Development of Automotive Liquid Hydrogen Storage Systems

    Science.gov (United States)

    Krainz, G.; Bartlok, G.; Bodner, P.; Casapicola, P.; Doeller, Ch.; Hofmeister, F.; Neubacher, E.; Zieger, A.

    2004-06-01

    Liquid hydrogen (LH2) takes up less storage volume than gas but requires cryogenic vessels. State-of-the-art applications for passenger vehicles consist of double-wall cylindrical tanks that hold a hydrogen storage mass of up to 10 kg. The preferred shell material of the tanks is stainless steel, since it is very resistant against hydrogen brittleness and shows negligible hydrogen permeation. Therefore, the weight of the whole tank system including valves and heat exchanger is more than 100 kg. The space between the inner and outer vessel is mainly used for thermal super-insulation purposes. Several layers of insulation foils and high vacuums of 10-3 Pa reduce the heat entry. The support structures, which keep the inner tank in position to the outer tank, are made of materials with low thermal conductivity, e.g. glass or carbon fiber reinforced plastics. The remaining heat in-leak leads to a boil-off rate of 1 to 3 percent per day. Active cooling systems to increase the stand-by time before evaporation losses occur are being studied. Currently, the production of several liquid hydrogen tanks that fulfill the draft of regulations of the European Integrated Hydrogen Project (EIHP) is being prepared. New concepts of lightweight liquid hydrogen storage tanks will be investigated.

  13. Calcium-decorated carbyne networks as hydrogen storage media.

    Science.gov (United States)

    Sorokin, Pavel B; Lee, Hoonkyung; Antipina, Lyubov Yu; Singh, Abhishek K; Yakobson, Boris I

    2011-07-13

    Among the carbon allotropes, carbyne chains appear outstandingly accessible for sorption and very light. Hydrogen adsorption on calcium-decorated carbyne chain was studied using ab initio density functional calculations. The estimation of surface area of carbyne gives the value four times larger than that of graphene, which makes carbyne attractive as a storage scaffold medium. Furthermore, calculations show that a Ca-decorated carbyne can adsorb up to 6 H(2) molecules per Ca atom with a binding energy of ∼0.2 eV, desirable for reversible storage, and the hydrogen storage capacity can exceed ∼8 wt %. Unlike recently reported transition metal-decorated carbon nanostructures, which suffer from the metal clustering diminishing the storage capacity, the clustering of Ca atoms on carbyne is energetically unfavorable. Thermodynamics of adsorption of H(2) molecules on the Ca atom was also investigated using equilibrium grand partition function.

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

    Energy Technology Data Exchange (ETDEWEB)

    Vajo, John

    2016-09-22

    DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ³11 wt% and ³80 g/L that can deliver hydrogen and be recharged at moderate temperatures (£100 °C) and pressures (£100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slow rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement. For the first approach, possible pairs of ternary borides and mixed-metal borohydrides based on Mg with various first row transition metals were investigated both experimentally and theoretically. In particular, the Mg/Mn ternary boride and mixed-metal borohydride were found to be a suitable pair and

  15. Simultaneous purification and storage of hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Hynek, S.; Fuller, W.; Weber, R.; Carlson, E. [Arthur D. Little, Inc., Cambridge, MA (United States)

    1998-08-01

    Specially coated magnesium particles have been shown to selectively absorb hydrogen from a hydrogen-rich gas stream such as reformate. These coated magnesium particles can store the absorbed hydrogen as required and subsequently deliver pure hydrogen, just as uncoated magnesium particles can. These coated magnesium particles could be used in a device that accepts a steady stream of reformate, as from a methane reformer, stores the selectively absorbed hydrogen indefinitely, and delivers purified hydrogen on demand. Unfortunately, this coating (magnesium nitride) has been shown to degrade over a period of several weeks, so that the magnesium within evidences progressively lower storage capacity. The authors are investigating two other coatings, one of which might be applicable to hydridable metals other than magnesium, to replace magnesium nitride.

  16. 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.

  17. 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.

  18. 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.

  19. Hydrogen Storage and Production Project

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharyya, Abhijit [Univ. of Arkansas, Little Rock, AR (United States); Biris, A. S. [Univ. of Arkansas, Little Rock, AR (United States); Mazumder, M. K. [Univ. of Arkansas, Little Rock, AR (United States); Karabacak, T. [Univ. of Arkansas, Little Rock, AR (United States); Kannarpady, Ganesh [Univ. of Arkansas, Little Rock, AR (United States); Sharma, R. [Univ. of Arkansas, Little Rock, AR (United States)

    2011-07-31

    This is the final technical report. This report is a summary of the project. The goal of our project is to improve solar-to-hydrogen generation efficiency of the PhotoElectroChemical (PEC) conversion process by developing photoanodes with high absorption efficiency in the visible region of the solar radiation spectrum and to increase photo-corrosion resistance of the electrode for generating hydrogen from water. To meet this goal, we synthesized nanostructured heterogeneous semiconducting photoanodes with a higher light absorption efficiency compared to that of TiO2 and used a corrosion protective layer of TiO2. While the advantages of photoelectrochemical (PEC) production of hydrogen have not yet been realized, the recent developments show emergence of new nanostructural designs of photoanodes and choices of materials with significant gains in photoconversion efficiency.

  20. Capacity retention in hydrogen storage alloys

    Science.gov (United States)

    Anani, A.; Visintin, A.; Srinivasan, S.; Appleby, A. J.; Reilly, J. J.; Johnson, J. R.

    1992-01-01

    Results of our examination of the properties of several candidate materials for hydrogen storage electrodes and their relation to the decrease in H-storage capacity upon open-circuit storage over time are reported. In some of the alloy samples examined to date, only about 10 percent of the hydrogen capacity was lost upon storage for 20 days, while in others, this number was as high as 30 percent for the same period of time. This loss in capacity is attributed to two separate mechanisms: (1) hydrogen desorbed from the electrode due to pressure differences between the cell and the electrode sample; and (2) chemical and/or electrochemical degradation of the alloy electrode upon exposure to the cell environment. The former process is a direct consequence of the equilibrium dissociation pressure of the hydride alloy phase and the partial pressure of hydrogen in the hydride phase in equilibrium with that in the electrolyte environment, while the latter is related to the stability of the alloy phase in the cell environment. Comparison of the equilibrium gas-phase dissociation pressures of these alloys indicate that reversible loss of hydrogen capacity is higher in alloys with P(eqm) greater than 1 atm than in those with P(eqm) less than 1 atm.

  1. Hydrogen storage in graphite nanofibers

    Energy Technology Data Exchange (ETDEWEB)

    Park, C.; Tan, C.D.; Hidalgo, R.; Baker, R.T.K.; Rodriguez, N.M. [Northeastern Univ., Boston, MA (United States). Chemistry Dept.

    1998-08-01

    Graphite nanofibers (GNF) are a type of material that is produced by the decomposition of carbon containing gases over metal catalyst particles at temperatures around 600 C. These molecularly engineered structures consist of graphene sheets perfectly arranged in a parallel, perpendicular or at angle orientation with respect to the fiber axis. The most important feature of the material is that only edges are exposed. Such an arrangement imparts the material with unique properties for gas adsorption because the evenly separated layers constitute the most ordered set of nanopores that can accommodate an adsorbate in the most efficient manner. In addition, the non-rigid pore walls can also expand so as to accommodate hydrogen in a multilayer conformation. Of the many varieties of structures that can be produced the authors have discovered that when gram quantities of a selected number of GNF are exposed to hydrogen at pressures of {approximately} 2,000 psi, they are capable of adsorbing and storing up to 40 wt% of hydrogen. It is believed that a strong interaction is established between hydrogen and the delocalized p-electrons present in the graphite layers and therefore a new type of chemistry is occurring within these confined structures.

  2. Nanomaterials for Hydrogen Storage Applications: A Review

    OpenAIRE

    Niemann, Michael U.; Sesha S. Srinivasan; Phani, Ayala R.; Ashok Kumar; D. Yogi Goswami; Elias K. Stefanakos

    2008-01-01

    Nanomaterials have attracted great interest in recent years because of the unusual mechanical, electrical, electronic, optical, magnetic and surface properties. The high surface/volume ratio of these materials has significant implications with respect to energy storage. Both the high surface area and the opportunity for nanomaterial consolidation are key attributes of this new class of materials for hydrogen storage devices. Nanostructured systems including carbon nanotubes, nano-magnesium ba...

  3. Nanosizing and nanoconfinement: new strategies towards meeting hydrogen storage goals.

    Science.gov (United States)

    de Jongh, Petra E; Adelhelm, Philipp

    2010-12-17

    Hydrogen is expected to play an important role as an energy carrier in a future, more sustainable society. However, its compact, efficient, and safe storage is an unresolved issue. One of the main options is solid-state storage in hydrides. Unfortunately, no binary metal hydride satisfies all requirements regarding storage density and hydrogen release and uptake. Increasingly complex hydride systems are investigated, but high thermodynamic stabilities as well as slow kinetics and poor reversibility are important barriers for practical application. Nanostructuring by ball-milling is an established method to reduce crystallite sizes and increase reaction rates. Since five years attention has also turned to alternative preparation techniques that enable particle sizes below 10 nanometers and are often used in conjunction with porous supports or scaffolds. In this Review we discuss the large impact of nanosizing and -confinement on the hydrogen sorption properties of metal hydrides. We illustrate possible preparation strategies, provide insight into the reasons for changes in kinetics, reversibility and thermodynamics, and highlight important progress in this field. All in all we provide the reader with a clear view of how nanosizing and -confinement can beneficially affect the hydrogen sorption properties of the most prominent materials that are currently considered for solid-state hydrogen storage.

  4. Hydrogen Storage Properties of Ti1.2Fe+xCa Hydrogen Storage Alloys

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The hydrogen storage properties of Ti1.2Fe+xCa (x=1%, 3% and 5% in mass fraction) alloys was investigated. Results show that the modified alloys can be activated without any thermal treatment at room temperature due to the addition of Ca and excess Ti in the alloys. Hydrogen storage properties of these modified alloys vary with Ca amount and reaction temperature. In addition, the influence mechanism of the addition of Ca and excessive Ti on the activation behavior and hydrogen storage capacity of the alloys was discussed.

  5. Hydrogen storage via polyhydride complexes

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, C.M.; Zidan, R.A. [Univ. of Hawaii, Honolulu, HI (United States)

    1998-08-01

    The reversible dehydrogenation of NaAlH{sub 4} is catalyzed in toluene slurries of the NaAlH{sub 4} containing the pincer complex, IrH{sub 4} {l_brace}C{sub 6}H{sub 3}-2,6-(CH{sub 2}PBu{sup t}{sub 2}){sub 2}{r_brace}. The rates of the pincer complex catalyzed dehydrogenation are about five times greater those previously found for NaAlH{sub 4} that was doped with titanium through a wet chemistry method. Homogenization of NaAlH{sub 4} with 2 mole % Ti(OBu{sup n}){sub 4} under an atmosphere of argon produces a novel titanium containing material. TPD measurements show that the dehydrogenation of this material occurs about 30 C lower than that previously found for wet titanium doped NaAlH{sub 4}. In further contrast to wet doped NaAlH{sub 4}, the dehydrogenation kinetics and hydrogen capacity of the novel material are undiminished over several dehydriding/hydriding cycles. Rehydrogenation of the titanium doped material occurs readily at 170 C under 150 atm of hydrogen. TPD measurements show that about 80% of the original hydrogen content (4.2 wt%) can be restored under these conditions.

  6. Seasonal energy storage - PV-hydrogen systems

    Energy Technology Data Exchange (ETDEWEB)

    Leppaenen, J. [Neste Oy/NAPS (Finland)

    1998-10-01

    PV systems are widely used in remote areas e.g. in telecommunication systems. Typically lead acid batteries are used as energy storage. In northern locations seasonal storage is needed, which however is too expensive and difficult to realise with batteries. Therefore, a PV- battery system with a diesel backup is sometimes used. The disadvantages of this kind of system for very remote applications are the need of maintenance and the need to supply the fuel. To overcome these problems, it has been suggested to use hydrogen technologies to make a closed loop autonomous energy storage system

  7. Complex hydrides for hydrogen storage - New perspectives

    DEFF Research Database (Denmark)

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

    2014-01-01

    Since the 1970s, hydrogen has been considered as a possible energy carrier for the storage of renewable energy. The main focus has been on addressing the ultimate challenge: developing an environmentally friendly successor for gasoline. This very ambitious goal has not yet been fully reached...

  8. Electrospun MOF nanofibers as hydrogen storage media

    CSIR Research Space (South Africa)

    Ren, Jianwei

    2015-06-01

    Full Text Available In this study, Zr-MOF and Cr-MOF were chosen as representatives of the developed MOFs in our laboratory and were incorporated into electrospun nanofibers. The obtained MOF nanofibers composites were evaluated as hydrogen storage media. The results...

  9. Nanomaterials for Hydrogen Storage Applications: A Review

    Directory of Open Access Journals (Sweden)

    Michael U. Niemann

    2008-01-01

    Full Text Available Nanomaterials have attracted great interest in recent years because of the unusual mechanical, electrical, electronic, optical, magnetic and surface properties. The high surface/volume ratio of these materials has significant implications with respect to energy storage. Both the high surface area and the opportunity for nanomaterial consolidation are key attributes of this new class of materials for hydrogen storage devices. Nanostructured systems including carbon nanotubes, nano-magnesium based hydrides, complex hydride/carbon nanocomposites, boron nitride nanotubes, TiS2/MoS2 nanotubes, alanates, polymer nanocomposites, and metal organic frameworks are considered to be potential candidates for storing large quantities of hydrogen. Recent investigations have shown that nanoscale materials may offer advantages if certain physical and chemical effects related to the nanoscale can be used efficiently. The present review focuses the application of nanostructured materials for storing atomic or molecular hydrogen. The synergistic effects of nanocrystalinity and nanocatalyst doping on the metal or complex hydrides for improving the thermodynamics and hydrogen reaction kinetics are discussed. In addition, various carbonaceous nanomaterials and novel sorbent systems (e.g. carbon nanotubes, fullerenes, nanofibers, polyaniline nanospheres and metal organic frameworks etc. and their hydrogen storage characteristics are outlined.

  10. Hydrogen storage in graphite nanofibres : new developments

    Energy Technology Data Exchange (ETDEWEB)

    Shutz, W. [Vodafone Pilotentwicklung GmbH, Munich (Germany); Maneck, E. [Bundesanstalt fur Materialforschung, Berlin (Germany)

    2002-07-01

    Carbon materials show high potential as candidates for hydrogen storage for automotive applications, but the price of hydrogen-driven vehicles is too high and customer acceptance is low. In this study, carbon nanofibers were synthesized through the reaction of carbon containing gases over a suitable catalyst. Essentially, carbon nanofibres were created by chemical catalytic vapour deposition of carbon containing gases using a horizontal quartz tube reactor at 500 to 1000 degrees C. The size and shape of the product was found to be dependent on the catalyst used and by the reaction temperature and time. The presentation illustrates gravimetric and volumetric storage capacity measurements, pressure dependent X-ray diffraction and temperature programmed desorption spectroscopy measurements. It was shown that the intercalated hydrogen in carbon nanofibers can be released during heating. Future studies will focus on examining the effects of the interaction between carbon nanofibers and hydrogen with focus on the potential of these materials for technical use in hydrogen storage systems. 7 refs., 2 figs.

  11. Modified borohydrides for reversible hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Au, Ming

    2005-08-29

    In attempt to develop lithium borohydrides as the reversible hydrogen storage materials with the high capacity, the feasibility to reduce dehydrogenation temperature of the lithium borohydride and moderate rehydrogenation condition has been explored. The commercial available lithium borohydride has been modified by ball milling with metal oxides and metal chlorides as the additives. The modified lithium borohydrides release 9 wt% hydrogen starting from 473K. The dehydrided modified lithium borohydrides absorb 7-9 wt% hydrogen at 873K and 7 MPa. The additive modification reduces dehydriding temperature from 673K to 473K and moderates rehydrogenation conditions to 923K and 15 MPa. XRD and SEM analysis discovered the formation of the intermediate compound TiB{sub 2} that may plays the key role in change the reaction path resulting the lower dehydriding temperature and reversibility. The reversible hydrogen storage capacity of the oxide modified lithium borohydrides decreases gradually during hydriding-dehydriding cycling due to the lost of the boron during dehydrogenation. But, it can be prevented by selecting the suitable additive, forming intermediate boron compounds and changing the reaction path. The additives reduce dehydriding temperature and improve the reversibility, it also reduces the hydrogen storage capacity. The best compromise can be reached by optimization of the additive loading and introducing new process other than ball milling.

  12. Tailoring Thermodynamics and Kinetics for Hydrogen Storage in Complex Hydrides towards Applications.

    Science.gov (United States)

    Liu, Yongfeng; Yang, Yaxiong; Gao, Mingxia; Pan, Hongge

    2016-02-01

    Solid-state hydrogen storage using various materials is expected to provide the ultimate solution for safe and efficient on-board storage. Complex hydrides have attracted increasing attention over the past two decades due to their high gravimetric and volumetric hydrogen densities. In this account, we review studies from our lab on tailoring the thermodynamics and kinetics for hydrogen storage in complex hydrides, including metal alanates, borohydrides and amides. By changing the material composition and structure, developing feasible preparation methods, doping high-performance catalysts, optimizing multifunctional additives, creating nanostructures and understanding the interaction mechanisms with hydrogen, the operating temperatures for hydrogen storage in metal amides, alanates and borohydrides are remarkably reduced. This temperature reduction is associated with enhanced reaction kinetics and improved reversibility. The examples discussed in this review are expected to provide new inspiration for the development of complex hydrides with high hydrogen capacity and appropriate thermodynamics and kinetics for hydrogen storage.

  13. Progress in improving thermodynamics and kinetics of new hydrogen storage materials

    Science.gov (United States)

    Song, Li-fang; Jiang, Chun-hong; Liu, Shu-sheng; Jiao, Cheng-li; Si, Xiao-liang; Wang, Shuang; Li, Fen; Zhang, Jian; Sun, Li-xian; Xu, Fen; Huang, Feng-lei

    2011-06-01

    Hydrogen storage material has been much developed recently because of its potential for proton exchange membrane (PEM) fuel cell applications. A successful solid-state reversible storage material should meet the requirements of high storage capacity, suitable thermodynamic properties, and fast adsorption and desorption kinetics. Complex hydrides, including boron hydride and alanate, ammonia borane, metal organic frameworks (MOFs), covalent organic frameworks (COFs) and zeolitic imidazolate frameworks (ZIFs), are remarkable hydrogen storage materials because of their advantages of high energy density and safety. This feature article focuses mainly on the thermodynamics and kinetics of these hydrogen storage materials in the past few years.

  14. Hollow porous-wall glass microspheres for hydrogen storage

    Science.gov (United States)

    Heung, Leung K.; Schumacher, Ray F.; Wicks, George G.

    2010-02-23

    A porous wall hollow glass microsphere is provided having a diameter range of between 1 to 200 microns, a density of between 1.0 to 2.0 gm/cc, a porous-wall structure having wall openings defining an average pore size of between 10 to 1000 angstroms, and which contains therein a hydrogen storage material. The porous-wall structure facilitates the introduction of a hydrogen storage material into the interior of the porous wall hollow glass microsphere. In this manner, the resulting hollow glass microsphere can provide a membrane for the selective transport of hydrogen through the porous walls of the microsphere, the small pore size preventing gaseous or liquid contaminants from entering the interior of the hollow glass microsphere.

  15. Hydrogen storage in magnesium clusters: quantum chemical study.

    Science.gov (United States)

    Wagemans, Rudy W P; van Lenthe, Joop H; de Jongh, Petra E; van Dillen, A Jos; de Jong, Krijn P

    2005-11-30

    Magnesium hydride is cheap and contains 7.7 wt % hydrogen, making it one of the most attractive hydrogen storage materials. However, thermodynamics dictate that hydrogen desorption from bulk magnesium hydride only takes place at or above 300 degrees C, which is a major impediment for practical application. A few results in the literature, related to disordered materials and very thin layers, indicate that lower desorption temperatures are possible. We systematically investigated the effect of crystal grain size on the thermodynamic stability of magnesium and magnesium hydride, using ab initio Hartree-Fock and density functional theory calculations. Also, the stepwise desorption of hydrogen was followed in detail. As expected, both magnesium and magnesium hydride become less stable with decreasing cluster size, notably for clusters smaller than 20 magnesium atoms. However, magnesium hydride destabilizes more strongly than magnesium. As a result, the hydrogen desorption energy decreases significantly when the crystal grain size becomes smaller than approximately 1.3 nm. For instance, an MgH2 crystallite size of 0.9 nm corresponds to a desorption temperature of only 200 degrees C. This predicted decrease of the hydrogen desorption temperature is an important step toward the application of Mg as a hydrogen storage material.

  16. Hydrogen Storage in Mesoporous Materials under High Pressure

    Science.gov (United States)

    Weinberger, Michelle; Somayazulu, Maddury; Hemley, Russell

    2008-03-01

    To date, the materials considered best candidates for hydrogen storage fuel cells include activated carbon and metal organic frameworks. Both very high surface area activated carbon and MOF-5 have been shown to adsorb around 4.5 wt % of hydrogen gas at 78 K. We have investigated the fundamental structural response of these materials to high pressure, as well as their behavior at high pressure when packed with dense hydrogen. Further investigation of these materials at low temperatures while still at elevated pressures may in fact provide a route for recovery of these hydrogen-packed materials to near ambient conditions. Covalent organic frameworks offer the potential for even better hydrogen storage capacity. These materials have significantly lower densities than the MOF materials and offer a significantly larger number of adsorption sites. Diamond anvil cells are uniquely suited for the study of these materials, allowing in situ measurements at high pressure as well as at low temperatures. Using X-ray diffraction and Raman spectroscopy and Infrared Spectroscopy we probe the behavior of the hydrogen confined in these porous materials at high pressure by tracking changes in the in situ high pressure x-ray diffraction patterns and shifts in the hydrogen vibron peaks.

  17. Combined Solid State and High Pressure Hydrogen Storage

    DEFF Research Database (Denmark)

    Grube, Elisabeth; Jensen, Torben René

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

  18. Evolution of Hydrogen Storage Alloys Prepared by Special Methods

    Institute of Scientific and Technical Information of China (English)

    Guo Hong; Zhang Ximin; Jing Hai; Li Chengdong; Xu Jun

    2004-01-01

    Microstructure characteristics and electrochemical properties of hydrogen storage alloys prepared by gas atomization, melt spinning and strip casting respectively were outlined.The advantages, disadvantages and research development of the above methods for preparing hydrogen storage alloys were explained.The strip casting is a new special means for preparing AB5 rare earth hydrogen storage alloys of high performance and low cost, and the study of the strip casting for preparing hydrogen storage alloys is presented specially.

  19. Computational Discovery of Novel Hydrogen Storage Materials and Reactions

    Science.gov (United States)

    Wolverton, Christopher

    2009-03-01

    Practical hydrogen storage for mobile applications requires materials that exhibit high hydrogen densities, low decomposition temperatures, and fast kinetics for absorption and desorption. Unfortunately, no reversible materials are currently known that possess all of these attributes. Here we present an overview of our recent efforts aimed at developing a first-principles computational approach to the discovery of novel hydrogen storage materials. We have developed computational tools which enable accurate prediction of decomposition thermodynamics, crystal structures for unknown hydrides, and thermodynamically preferred decomposition pathways. We present examples that illustrate each of these three capabilities. Specifically, we focus on recent work on crystal structure and dehydriding reactions of borohydride materials, such as Mg(BH4)2, MgB12H12, and mixtures of complex hydrides such as the ternary LiBH4/LiNH2/MgH2 system.References:[0pt] (1) V. Ozolins, E. H. Majzoub, and C. Wolverton, ``First-Principles Prediction of a Ground State Crystal Structure of Magnesium Borohydride'', Phys. Rev. Lett. 100, 135501 (2008).(2) C. Wolverton, D. J. Siegel, A. R. Akbarzadeh, and V. Ozolins, ``Discovery of Novel Hydrogen Storage Materials: An Atomic Scale Computational Approach'', J. Phys. Condens. Matt. 20, 064228 (2008).(3) J. Yang, et al., ``A Self-Catalyzing Hydrogen Storage Material'' Angew. Chem. Int. Ed., 47, 882 (2008).(4) A. R. Akbarzadeh, V. Ozolins, and C. Wolverton, ``First-Principles Determination of Multicomponent Hydride Phase Diagrams: Application to the Li-Mg-N-H System'', Advanced Materials 19, 3233 (2007).(5) D. J. Siegel, C. Wolverton, and V. Ozolins, ``Thermodynamic Guidelines for the Prediction of Hydrogen Storage Reactions and their Application to Destabilized Hydride Mixtures'', Phys. Rev. B 76, 134102 (2007).

  20. Remarkable Hydrogen Storage on Beryllium Oxide Clusters: First Principles Calculations

    CERN Document Server

    Shinde, Ravindra

    2016-01-01

    Since the current transportation sector is the largest consumer of oil, and subsequently responsible for major air pollutants, it is inevitable to use alternative renewable sources of energies for vehicular applications. The hydrogen energy seems to be a promising candidate. To explore the possibility of achieving a solid-state high-capacity storage of hydrogen for onboard applications, we have performed first principles density functional theoretical calculations of hydrogen storage properties of beryllium oxide clusters (BeO)$_{n}$ (n=2 -- 8). We observed that polar BeO bond is responsible for H$_{2}$ adsorption. The problem of cohesion of beryllium atoms does not arise, as they are an integral part of BeO clusters. The (BeO)$_{n}$ (n=2 -- 8) adsorbs 8--12 H$_{2}$ molecules with an adsorption energy in the desirable range of reversible hydrogen storage. The gravimetric density of H$_{2}$ adsorbed on BeO clusters meets the ultimate 7.5 wt% limit, recommended for onboard practical applications. In conclusion,...

  1. Vehicular hydrogen storage using lightweight tanks

    Energy Technology Data Exchange (ETDEWEB)

    Mitlitsky, F; Weisberg, A H; Myers, B

    2000-07-22

    Lightweight hydrogen storage for vehicles is enabled by adopting and adapting aerospace tankage technology. The weight, volume, and cost are already acceptable and improving. Prototype tankage was demonstrated with 11.3% hydrogen by weight, 1.74 million inch (44.3 km) burst performance factor (P{sub b}V/W), and 3.77 kWh/kg specific energy for the tank and hydrogen (LHV). DOE cannot afford full scale aerospace development costs. For example, it costs many tens of $M to develop a rocket motor casing with a safety factor (SF) of 1.25. Large teams of experts are required to design, develop, and test new processes. Car companies are buying existing technology with only modest investments in research and development (R&D). The Lawrence Livermore National Laboratory (LLNL) team is maximizing the leverage from DOE funding by joining with industry to solve technical risks at the component level. LLNL is developing fabrication processes with IMPCO Technologies, Thiokol Propulsion, and Aero Tec Laboratories (ATL). LLNL is creating commercial products that are close to adoption under DOE solicitation. LLNL is breaking ground to achieve greater than 10% hydrogen by weight tankage with safety that exceeds the requirements of NGV2 standards modified for hydrogen. Risk reduction is proceeding along three axes: (1) Commercializable products will be available next year with {approx}90% confidence; (2) R&D progress is pushing the envelope in lightweight tankage for vehicles; and (3) Integration challenges are being met with partners in industry and DOE demo programs. This project is a key part of LLNL's effort to develop high cycle life energy storage systems with >600 Wh/kg specific energy for various applications, including: high altitude long endurance solar rechargeable aircraft, zero emission vehicles, hybrid energy storage/propulsion systems for spacecraft, energy storage for premium power, remote power sources, and peak shaving.

  2. Hydrogen storage in engineered carbon nanospaces.

    Science.gov (United States)

    Burress, Jacob; Kraus, Michael; Beckner, Matt; Cepel, Raina; Suppes, Galen; Wexler, Carlos; Pfeifer, Peter

    2009-05-20

    It is shown how appropriately engineered nanoporous carbons provide materials for reversible hydrogen storage, based on physisorption, with exceptional storage capacities (approximately 80 g H2/kg carbon, approximately 50 g H2/liter carbon, at 50 bar and 77 K). Nanopores generate high storage capacities (a) by having high surface area to volume ratios, and (b) by hosting deep potential wells through overlapping substrate potentials from opposite pore walls, giving rise to a binding energy nearly twice the binding energy in wide pores. Experimental case studies are presented with surface areas as high as 3100 m(2) g(-1), in which 40% of all surface sites reside in pores of width approximately 0.7 nm and binding energy approximately 9 kJ mol(-1), and 60% of sites in pores of width>1.0 nm and binding energy approximately 5 kJ mol(-1). The findings, including the prevalence of just two distinct binding energies, are in excellent agreement with results from molecular dynamics simulations. It is also shown, from statistical mechanical models, that one can experimentally distinguish between the situation in which molecules do (mobile adsorption) and do not (localized adsorption) move parallel to the surface, how such lateral dynamics affects the hydrogen storage capacity, and how the two situations are controlled by the vibrational frequencies of adsorbed hydrogen molecules parallel and perpendicular to the surface: in the samples presented, adsorption is mobile at 293 K, and localized at 77 K. These findings make a strong case for it being possible to significantly increase hydrogen storage capacities in nanoporous carbons by suitable engineering of the nanopore space.

  3. Modeling of vehicular hydrogen storage transfer processes

    Energy Technology Data Exchange (ETDEWEB)

    Viola, J.; Ventner, R.D. [Toronto Univ., ON (Canada). Dept. of Mechanical and Industrial Engineering; Bose, T.; Benard, P. [Quebec Univ., Trois-Rivieres, PQ (Canada)

    2003-07-01

    The acceptance of hydrogen as an alternate fuel for powering vehicles depends on several factors, such as the performance properties of hydrogen fuels, the behaviour of the vehicle in terms of power response, and the handling of the fuel during the transfer operation to the vehicle. This paper presents a study which examined the transfer of fuel and compared the fueling processes of several hydrogen storage methods on a vehicle. The study involved a computer-simulation of different hydrogen storage systems to compare the characteristics of the various transfer processes. The thermodynamics of hydrogen transfer from a defined initial condition to its final state was studied. Tabulations of energy requirements, temperature and pressure variations, and limitations concerning the transfer rate were provided. The fueling procedure was simulated using dynamic models, and the components from the initial to the final equilibrium state within the vehicle were characterized. The fluctuations in the system during the physical transfer operations were illustrated. Some of the safety risks include passive risks from toxic and low temperature or cryogenic effects, and explosion and combustion. The authors used fuzzy analysis of survey results to examine safety, which is more subjective in nature than the other properties modeled. An introduction to fuzzy logic was presented, followed by a description of the method used. 2 refs., 7 figs.

  4. Computational study of sodium magnesium hydride for hydrogen storage applications

    Science.gov (United States)

    Soto Valle, Fernando Antonio

    Hydrogen offers considerable potential benefits as an energy carrier. However, safe and convenient storage of hydrogen is one of the biggest challenges to be resolved in the near future. Sodium magnesium hydride (NaMgH 3) has attracted attention as a hydrogen storage material due to its light weight and high volumetric hydrogen density of 88 kg/m3. Despite the advantages, hydrogen release in this material occurs at approximately 670 K, which is well above the operable range for on-board hydrogen storage applications. In this regard, hydrogen release may be facilitated by substitution doping of transition-metals. This dissertation describes first-principles computational methods that enable an examination of the hydrogen storage properties of NaMgH3. The novel contribution of this dissertation includes a combination of crystal, supercell, and surface slab calculations that provides new and relevant insights about the thermodynamic and kinetic properties of NaMgH3. First-principles calculations on the pristine crystal structure provide a starting reference point for the study of this material as a hydrogen storage material. To the best of our knowledge, it is reported for the first time that a 25% mol doping concentration of Ti, V, Cu, and Zn dopants reduce the reaction enthalpy of hydrogen release for NaMgH3. The largest decrease in the DeltaH(298 K) value corresponds to the Zn-doped model (67.97 kJ/(mol H2)). Based on cohesive energy calculations, it is reported that at the 6.25% mol doping concentration, Ti and Zn dopants are the only transition metals that destabilize the NaMgH3 hydride. In terms of hydrogen removal energy, it is quantified that the energy cost to remove a single H from the Ti-doped supercell model is 0.76 eV, which is lower with respect to the pristine model and other prototypical hydrogen storage materials. From the calculation of electronic properties such as density of states, electron density difference, and charge population analysis

  5. Mg-based compounds for hydrogen and energy storage

    NARCIS (Netherlands)

    Crivello, J. -C.; Denys, R. V.; Dornheim, M.; Felderhoff, M.; Grant, D. M.; Huot, J.; Jensen, T. R.; de Jongh, P.|info:eu-repo/dai/nl/186125372; Latroche, M.; Walker, G. S.; Webb, C. J.; Yartys, V. A.

    Magnesium-based alloys attract significant interest as cost-efficient hydrogen storage materials allowing the combination of high gravimetric storage capacity of hydrogen with fast rates of hydrogen uptake and release and pronounced destabilization of the metal–hydrogen bonding in comparison with

  6. Materials for hydrogen storage: current research trends and perspectives.

    Science.gov (United States)

    van den Berg, Annemieke W C; Areán, Carlos Otero

    2008-02-14

    Storage and transport of hydrogen constitutes a key enabling technology for the advent of a hydrogen-based energy transition. Main research trends on hydrogen storage materials, including metal hydrides, porous adsorbents and hydrogen clathrates, are reviewed with a focus on recent developments and an appraisal of the challenges ahead. .

  7. Hydrogen Storage in Metal-Organic Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Long, Jeffrey R. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2016-04-28

    The design and characterization of new materials for hydrogen storage is an important area of research, as the ability to store hydrogen at lower pressures and higher temperatures than currently feasible would lower operating costs for small hydrogen fuel cell vehicles. In particular, metal-organic frameworks (MOFs) represent promising materials for use in storing hydrogen in this capacity. MOFs are highly porous, three-dimensional crystalline solids that are formed via linkages between metal ions (e.g., iron, nickel, and zinc) and organic molecules. MOFs can store hydrogen via strong adsorptive interactions between the gas molecules and the pores of the framework, providing a high surface area for gas adsorption and thus the opportunity to store hydrogen at significantly lower pressures than with current technologies. By lowering the energy required for hydrogen storage, these materials hold promise in rendering hydrogen a more viable fuel for motor vehicles, which is a highly desirable outcome given the clean nature of hydrogen fuel cells (water is the only byproduct of combustion) and the current state of global climate change resulting from the combustion of fossil fuels. The work presented in this report is the result of collaborative efforts between researchers at Lawrence Berkeley National Lab (LBNL), the National Institute of Standards and Technology (NIST), and General Motors Corporation (GM) to discover novel MOFs promising for H2 storage and characterize their properties. Described herein are several new framework systems with improved gravimetric and volumetric capacity to strongly bind H2 at temperatures relevant for vehicle storage. These materials were rigorously characterized using neutron diffraction, to determine the precise binding locations of hydrogen within the frameworks, and high-pressure H2 adsorption measurements, to provide a comprehensive picture of H2 adsorption at all relevant pressures. A

  8. Ford/BASF/UM Activities in Support of the Hydrogen Storage Engineering Center of Excellence

    Energy Technology Data Exchange (ETDEWEB)

    Veenstra, Mike [Ford Motor Company, Dearborn, MI (United States); Purewal, Justin [Ford Motor Company, Dearborn, MI (United States); Xu, Chunchuan [Ford Motor Company, Dearborn, MI (United States); Yang, Jun [Ford Motor Company, Dearborn, MI (United States); Blaser, Rachel [Ford Motor Company, Dearborn, MI (United States); Sudik, Andrea [Ford Motor Company, Dearborn, MI (United States); Siegel, Don [Univ. of Michigan, Ann Arbor, MI (United States); Ming, Yang [Univ. of Michigan, Ann Arbor, MI (United States); Liu, Dong' an [Univ. of Michigan, Ann Arbor, MI (United States); Chi, Hang [Univ. of Michigan, Ann Arbor, MI (United States); Gaab, Manuela [BASF SE, Ludwigshafen (Germany); Arnold, Lena [BASF SE, Ludwigshafen (Germany); Muller, Ulrich [BASF SE, Ludwigshafen (Germany)

    2015-06-30

    Widespread adoption of hydrogen as a vehicular fuel depends critically on the development of low-cost, on-board hydrogen storage technologies capable of achieving high energy densities and fast kinetics for hydrogen uptake and release. As present-day technologies -- which rely on physical storage methods such as compressed hydrogen -- are incapable of attaining established Department of Energy (DOE) targets, development of materials-based approaches for storing hydrogen have garnered increasing attention. Material-based storage technologies have potential to store hydrogen beyond twice the density of liquid hydrogen. To hasten development of these ‘hydride’ materials, the DOE previously established three centers of excellence for materials storage R&D associated with the key classes of materials: metal hydrides, chemical hydrogen, and adsorbents. While these centers made progress in identifying new storage materials, the challenges associated with the engineering of the system around a candidate storage material are in need of further advancement. In 2009 the DOE established the Hydrogen Storage Engineering Center of Excellence with the objective of developing innovative engineering concepts for materials-based hydrogen storage systems. As a partner in the Hydrogen Storage Engineering Center of Excellence, the Ford-UM-BASF team conducted a multi-faceted research program that addresses key engineering challenges associated with the development of materials-based hydrogen storage systems. First, we developed a novel framework that allowed for a material-based hydrogen storage system to be modeled and operated within a virtual fuel cell vehicle. This effort resulted in the ability to assess dynamic operating parameters and interactions between the storage system and fuel cell power plant, including the evaluation of performance throughout various drive cycles. Second, we engaged in cost modeling of various incarnations of the storage systems. This analysis

  9. Multiply Surface-Functionalized Nanoporous Carbon for Vehicular Hydrogen Storage

    Energy Technology Data Exchange (ETDEWEB)

    Pfeifer, Peter [Univ. of Missouri, Columbia, MO (United States). Dept. of Physics; Gillespie, Andrew [Univ. of Missouri, Columbia, MO (United States). Dept. of Physics; Stalla, David [Univ. of Missouri, Columbia, MO (United States). Dept. of Physics; Dohnke, Elmar [Univ. of Missouri, Columbia, MO (United States). Dept. of Physics

    2017-02-20

    The purpose of the project “Multiply Surface-Functionalized Nanoporous Carbon for Vehicular Hydrogen Storage” is the development of materials that store hydrogen (H2) by adsorption in quantities and at conditions that outperform current compressed-gas H2 storage systems for electric power generation from hydrogen fuel cells (HFCs). Prominent areas of interest for HFCs are light-duty vehicles (“hydrogen cars”) and replacement of batteries with HFC systems in a wide spectrum of applications, ranging from forklifts to unmanned areal vehicles to portable power sources. State-of-the-art compressed H2 tanks operate at pressures between 350 and 700 bar at ambient temperature and store 3-4 percent of H2 by weight (wt%) and less than 25 grams of H2 per liter (g/L) of tank volume. Thus, the purpose of the project is to engineer adsorbents that achieve storage capacities better than compressed H2 at pressures less than 350 bar. Adsorption holds H2 molecules as a high-density film on the surface of a solid at low pressure, by virtue of attractive surface-gas interactions. At a given pressure, the density of the adsorbed film is the higher the stronger the binding of the molecules to the surface is (high binding energies). Thus, critical for high storage capacities are high surface areas, high binding energies, and low void fractions (high void fractions, such as in interstitial space between adsorbent particles, “waste” storage volume by holding hydrogen as non-adsorbed gas). Coexistence of high surface area and low void fraction makes the ideal adsorbent a nanoporous monolith, with pores wide enough to hold high-density hydrogen films, narrow enough to minimize storage as non-adsorbed gas, and thin walls between pores to minimize the volume occupied by solid instead of hydrogen. A monolith can be machined to fit into a rectangular tank (low pressure, conformable tank), cylindrical tank

  10. Hydrogen-storage materials for mobile applications

    Science.gov (United States)

    Schlapbach, Louis; Züttel, Andreas

    2001-11-01

    Mobility - the transport of people and goods - is a socioeconomic reality that will surely increase in the coming years. It should be safe, economic and reasonably clean. Little energy needs to be expended to overcome potential energy changes, but a great deal is lost through friction (for cars about 10 kWh per 100 km) and low-efficiency energy conversion. Vehicles can be run either by connecting them to a continuous supply of energy or by storing energy on board. Hydrogen would be ideal as a synthetic fuel because it is lightweight, highly abundant and its oxidation product (water) is environmentally benign, but storage remains a problem. Here we present recent developments in the search for innovative materials with high hydrogen-storage capacity.

  11. Mg-based nanocomposites with high capacity and fast kinetics for hydrogen storage.

    Science.gov (United States)

    Yao, Xiangdong; Wu, Chengzhang; Du, Aijun; Lu, Gao Qing; Cheng, Huiming; Smith, Sean C; Zou, Jin; He, Yinghe

    2006-06-22

    Magnesium and its alloys have shown a great potential in effective hydrogen storage due to their advantages of high volumetric/gravimetric hydrogen storage capacity and low cost. However, the use of these materials in fuel cells for automotive applications at the present time is limited by high hydrogenation temperature and sluggish sorption kinetics. This paper presents the recent results of design and development of magnesium-based nanocomposites demonstrating the catalytic effects of carbon nanotubes and transition metals on hydrogen adsorption in these materials. The results are promising for the application of magnesium materials for hydrogen storage, with significantly reduced absorption temperatures and enhanced ab/desorption kinetics. High level Density Functional Theory calculations support the analysis of the hydrogenation mechanisms by revealing the detailed atomic and molecular interactions that underpin the catalytic roles of incorporated carbon and titanium, providing clear guidance for further design and development of such materials with better hydrogen storage properties.

  12. Amineborane Based Chemical Hydrogen Storage - Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Sneddon, Larry G.

    2011-04-21

    The development of efficient and safe methods for hydrogen storage is a major hurdle that must be overcome to enable the use of hydrogen as an alternative energy carrier. The objectives of this project in the DOE Center of Excellence in Chemical Hydride Storage were both to develop new methods for on-demand, low temperature hydrogen release from chemical hydrides and to design high-conversion off-board methods for chemical hydride regeneration. Because of their reactive protic (N-H) and hydridic (B-H) hydrogens and high hydrogen contents, amineboranes such as ammonia borane, NH3BH3 (AB), 19.6-wt% H2, and ammonia triborane NH3B3H7 (AT), 17.7-wt% H2, were initially identified by the Center as promising, high-capacity chemical hydrogen storage materials with the potential to store and deliver molecular hydrogen through dehydrogenation and hydrolysis reactions. In collaboration with other Center partners, the Penn project focused both on new methods to induce amineborane H2-release and on new strategies for the regeneration the amineborane spent-fuel materials. The Penn approach to improving amineborane H2-release focused on the use of ionic liquids, base additives and metal catalysts to activate AB dehydrogenation and these studies successfully demonstrated that in ionic liquids the AB induction period that had been observed in the solid-state was eliminated and both the rate and extent of AB H2-release were significantly increased. These results have clearly shown that, while improvements are still necessary, many of these systems have the potential to achieve DOE hydrogen-storage goals. The high extent of their H2­-release, the tunability of both their H2 materials weight-percents and release rates, and their product control that is attained by either trapping or suppressing unwanted volatile side products, such as borazine, continue to make AB/ionic­-liquid based systems attractive candidates for chemical hydrogen storage applications. These studies also

  13. Electronic Structure of Hydrogen Storage Compounds, LaNi5 and Its Micro-Hydrogenated Compounds

    Institute of Scientific and Technical Information of China (English)

    Lin Yufang; Zhao Dongliang; Wang Xinlin; Zhang Yanghuan

    2005-01-01

    The electronic structures of LaNi5 hydrogen storage alloys and its micro-hydrogenated compounds with two hydrogen atoms in the center of two octahedral interstices and two tetrahedral interstices, were investigated by the first principles discrete variational method(DVM). The results of density of states and the difference of charge distribution clearly show that the s electrons of H mainly interact with the s electrons of hydride-non-forming element Ni, despite there being a larger affinity of La for hydrogen than that of Ni in pure metal-hydrogen system. From the cohesive energy of systems, we also found two systems have almost same stability with occupation of H atoms.

  14. Final Report: Hydrogen Storage System Cost Analysis

    Energy Technology Data Exchange (ETDEWEB)

    James, Brian David [Strategic Analysis Inc., Arlington, VA (United States); Houchins, Cassidy [Strategic Analysis Inc., Arlington, VA (United States); Huya-Kouadio, Jennie Moton [Strategic Analysis Inc., Arlington, VA (United States); DeSantis, Daniel A. [Strategic Analysis Inc., Arlington, VA (United States)

    2016-09-30

    The Fuel Cell Technologies Office (FCTO) has identified hydrogen storage as a key enabling technology for advancing hydrogen and fuel cell power technologies in transportation, stationary, and portable applications. Consequently, FCTO has established targets to chart the progress of developing and demonstrating viable hydrogen storage technologies for transportation and stationary applications. This cost assessment project supports the overall FCTO goals by identifying the current technology system components, performance levels, and manufacturing/assembly techniques most likely to lead to the lowest system storage cost. Furthermore, the project forecasts the cost of these systems at a variety of annual manufacturing rates to allow comparison to the overall 2017 and “Ultimate” DOE cost targets. The cost breakdown of the system components and manufacturing steps can then be used to guide future research and development (R&D) decisions. The project was led by Strategic Analysis Inc. (SA) and aided by Rajesh Ahluwalia and Thanh Hua from Argonne National Laboratory (ANL) and Lin Simpson at the National Renewable Energy Laboratory (NREL). Since SA coordinated the project activities of all three organizations, this report includes a technical description of all project activity. This report represents a summary of contract activities and findings under SA’s five year contract to the US Department of Energy (Award No. DE-EE0005253) and constitutes the “Final Scientific Report” deliverable. Project publications and presentations are listed in the Appendix.

  15. A multifaceted approach to hydrogen storage.

    Science.gov (United States)

    Churchard, Andrew J; Banach, Ewa; Borgschulte, Andreas; Caputo, Riccarda; Chen, Jian-Cheng; Clary, David; Fijalkowski, Karol J; Geerlings, Hans; Genova, Radostina V; Grochala, Wojciech; Jaroń, Tomasz; Juanes-Marcos, Juan Carlos; Kasemo, Bengt; Kroes, Geert-Jan; Ljubić, Ivan; Naujoks, Nicola; Nørskov, Jens K; Olsen, Roar A; Pendolino, Flavio; Remhof, Arndt; Románszki, Loránd; Tekin, Adem; Vegge, Tejs; Zäch, Michael; Züttel, Andreas

    2011-10-14

    The widespread adoption of hydrogen as an energy carrier could bring significant benefits, but only if a number of currently intractable problems can be overcome. Not the least of these is the problem of storage, particularly when aimed at use onboard light-vehicles. The aim of this overview is to look in depth at a number of areas linked by the recently concluded HYDROGEN research network, representing an intentionally multi-faceted selection with the goal of advancing the field on a number of fronts simultaneously. For the general reader we provide a concise outline of the main approaches to storing hydrogen before moving on to detailed reviews of recent research in the solid chemical storage of hydrogen, and so provide an entry point for the interested reader on these diverse topics. The subjects covered include: the mechanisms of Ti catalysis in alanates; the kinetics of the borohydrides and the resulting limitations; novel transition metal catalysts for use with complex hydrides; less common borohydrides; protic-hydridic stores; metal ammines and novel approaches to nano-confined metal hydrides.

  16. Palladium based nanomaterials for enhanced hydrogen spillover and storage

    Directory of Open Access Journals (Sweden)

    Suresh K. Konda

    2016-03-01

    Full Text Available Hydrogen storage remains one of the most challenging prerequisites to overcome toward the realization of a hydrogen based economy. The use of hydrogen as an energy carrier for fuel cell applications has been limited by the lack of safe and effective hydrogen storage materials. Palladium has high affinity for hydrogen sorption and has been extensively studied, both in the gas phase and under electrochemical conditions. In this review, recent advancements are highlighted and discussed in regard to palladium based nanomaterials for hydrogen storage, as well as the effects of hydrogen spillover on various adsorbents including carbons, metal organic frameworks, covalent organic frameworks, and other nanomaterials.

  17. Cloning single wall carbon nanotubes for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Tour, James M [Rice Univ., Houston, TX (United States); Kittrell, Carter [Rice Univ., Houston, TX (United States)

    2012-08-30

    The purpose of this research is to development the technology required for producing 3-D nano-engineered frameworks for hydrogen storage based on sp2 carbon media, which will have high gravimetric and especially high volumetric uptake of hydrogen, and in an aligned fibrous array that will take advantage of the exceptionally high thermal conductivity of sp2 carbon materials to speed up the fueling process while minimizing or eliminating the need for internal cooling systems. A limitation for nearly all storage media using physisorption of the hydrogen molecule is the large amount of surface area (SA) occupied by each H2 molecule due to its large zero-point vibrational energy. This creates a conundrum that in order to maximize SA, the physisorption media is made more tenuous and the density is decreased, usually well below 1 kg/L, so that there comes a tradeoff between volumetric and gravimetric uptake. Our major goal was to develop a new type of media with high density H2 uptake, which favors volumetric storage and which, in turn, has the capability to meet the ultimate DoE H2 goals.

  18. Theoretical Studies of Hydrogen Storage Alloys.

    Energy Technology Data Exchange (ETDEWEB)

    Jonsson, Hannes

    2012-03-22

    Theoretical calculations were carried out to search for lightweight alloys that can be used to reversibly store hydrogen in mobile applications, such as automobiles. Our primary focus was on magnesium based alloys. While MgH{sub 2} is in many respects a promising hydrogen storage material, there are two serious problems which need to be solved in order to make it useful: (i) the binding energy of the hydrogen atoms in the hydride is too large, causing the release temperature to be too high, and (ii) the diffusion of hydrogen through the hydride is so slow that loading of hydrogen into the metal takes much too long. In the first year of the project, we found that the addition of ca. 15% of aluminum decreases the binding energy to the hydrogen to the target value of 0.25 eV which corresponds to release of 1 bar hydrogen gas at 100 degrees C. Also, the addition of ca. 15% of transition metal atoms, such as Ti or V, reduces the formation energy of interstitial H-atoms making the diffusion of H-atoms through the hydride more than ten orders of magnitude faster at room temperature. In the second year of the project, several calculations of alloys of magnesium with various other transition metals were carried out and systematic trends in stability, hydrogen binding energy and diffusivity established. Some calculations of ternary alloys and their hydrides were also carried out, for example of Mg{sub 6}AlTiH{sub 16}. It was found that the binding energy reduction due to the addition of aluminum and increased diffusivity due to the addition of a transition metal are both effective at the same time. This material would in principle work well for hydrogen storage but it is, unfortunately, unstable with respect to phase separation. A search was made for a ternary alloy of this type where both the alloy and the corresponding hydride are stable. Promising results were obtained by including Zn in the alloy.

  19. Coupling of exothermic and endothermic hydrogen storage materials

    Science.gov (United States)

    Brooks, Kriston P.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Houghton, Adrian Y.; Autrey, S. Thomas

    2016-08-01

    Chemical hydrogen storage (CHS) materials are a high-storage-density alternative to the gaseous compressed hydrogen currently used to provide hydrogen for fuel cell vehicles. One of the challenges of CHS materials is addressing the energy barriers required to break the chemical bonds and release the hydrogen. Coupling CHS reactions that are endothermic and exothermic during dehydrogenation can improve onboard energy efficiency and thermal control for the system, making such materials viable. Acceptable coupling between reactions requires both thermodynamic and kinetic considerations. In this work, models were developed to predict the reaction enthalpy and rate required to achieve high conversions for both reactions based on experimental measurements. Modeling results show that the coupling efficiency of exothermic and endothermic reactions is more sensitive to the ratio of the exothermic and endothermic enthalpies than to the ratio of the rates of the two steps. Modeling results also show that a slower endothermic step rate is desirable to permit sufficient heating of the reactor by the exothermic step. We look at two examples of a sequential and parallel reaction scheme and provide some of the first published insight into the required temperature range to maximize the hydrogen release from 1,2-BN cyclohexane and indoline.

  20. Microporous Metal Organic Materials for Hydrogen Storage

    Energy Technology Data Exchange (ETDEWEB)

    S. G. Sankar; Jing Li; Karl Johnson

    2008-11-30

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

  1. Electric field enhanced hydrogen storage on polarizable materials substrates.

    Science.gov (United States)

    Zhou, J; Wang, Q; Sun, Q; Jena, P; Chen, X S

    2010-02-16

    Using density functional theory, we show that an applied electric field can substantially improve the hydrogen storage properties of polarizable substrates. This new concept is demonstrated by adsorbing a layer of hydrogen molecules on a number of nanomaterials. When one layer of H(2) molecules is adsorbed on a BN sheet, the binding energy per H(2) molecule increases from 0.03 eV/H(2) in the field-free case to 0.14 eV/H(2) in the presence of an electric field of 0.045 a.u. The corresponding gravimetric density of 7.5 wt% is consistent with the 6 wt% system target set by Department of Energy for 2010. The strength of the electric field can be reduced if the substrate is more polarizable. For example, a hydrogen adsorption energy of 0.14 eV/H(2) can be achieved by applying an electric field of 0.03 a.u. on an AlN substrate, 0.006 a.u. on a silsesquioxane molecule, and 0.007 a.u. on a silsesquioxane sheet. Thus, application of an electric field to a polarizable substrate provides a novel way to store hydrogen; once the applied electric field is removed, the stored H(2) molecules can be easily released, thus making storage reversible with fast kinetics. In addition, we show that materials with rich low-coordinated nonmetal anions are highly polarizable and can serve as a guide in the design of new hydrogen storage materials.

  2. Coating system of hydrogen storage alloy powder slurry; Suiso kyuzo gokin funmatsu surari no tofu sochi

    Energy Technology Data Exchange (ETDEWEB)

    Furukawa, J.

    1995-03-31

    As the hydrogen storage alloy powder slurry has a high density and a high viscosity, it is necessary to apply a considerably high tension to the current collector sheet when the current collector sheet is continuously coated with the hydrogen storage alloy powder slurry. This invention provides a method of continuously coating the hydrogen storage alloy powder slurry on the running current collector sheet. In order to keep the viscosity of alloy powder slurry constant and to reduce the tension to be applied to the sheet during coating, a stirring jig is installed facing to the front surface and back surface of the current collector sheet and rotating in the sheet running direction and in the opposite direction. In this way, the thixotropic structure of the hydrogen storage alloy powder slurry is constantly broken, so that a gradual increase in viscosity does not take place. Resultingly, the homogeneous hydrogen storage alloy electrode can be continuously produced. 6 figs.

  3. Performance of hydrogen storage of carbon nanotubes decorated with palladium

    Institute of Scientific and Technical Information of China (English)

    木士春; 唐浩林; 钱胜浩; 潘牧; 袁润章

    2004-01-01

    Carbon nanotubes(CNTs) decorated with palladium were synthesized and applied to hydrogen storage of gas phase. The results show that the amount of hydrogen storage of the decorated CNTs is up to 3.9 % (mass fraction), of which, almost 85% H2 can be desorbed at ambient temperature and pressure, while the non-decorated CNTs has a poor performance of hydrogen storage(only about 0.5% H2, mass fraction). These indicate that it is feasible to enhance the performance of hydrogen storage of CNTs by further decoration with hydrogen-storing metals or alloys.

  4. Low Cost, High Efficiency, High Pressure Hydrogen Storage

    Energy Technology Data Exchange (ETDEWEB)

    Mark Leavitt

    2010-03-31

    A technical and design evaluation was carried out to meet DOE hydrogen fuel targets for 2010. These targets consisted of a system gravimetric capacity of 2.0 kWh/kg, a system volumetric capacity of 1.5 kWh/L and a system cost of $4/kWh. In compressed hydrogen storage systems, the vast majority of the weight and volume is associated with the hydrogen storage tank. In order to meet gravimetric targets for compressed hydrogen tanks, 10,000 psi carbon resin composites were used to provide the high strength required as well as low weight. For the 10,000 psi tanks, carbon fiber is the largest portion of their cost. Quantum Technologies is a tier one hydrogen system supplier for automotive companies around the world. Over the course of the program Quantum focused on development of technology to allow the compressed hydrogen storage tank to meet DOE goals. At the start of the program in 2004 Quantum was supplying systems with a specific energy of 1.1-1.6 kWh/kg, a volumetric capacity of 1.3 kWh/L and a cost of $73/kWh. Based on the inequities between DOE targets and Quantum’s then current capabilities, focus was placed first on cost reduction and second on weight reduction. Both of these were to be accomplished without reduction of the fuel system’s performance or reliability. Three distinct areas were investigated; optimization of composite structures, development of “smart tanks” that could monitor health of tank thus allowing for lower design safety factor, and the development of “Cool Fuel” technology to allow higher density gas to be stored, thus allowing smaller/lower pressure tanks that would hold the required fuel supply. The second phase of the project deals with three additional distinct tasks focusing on composite structure optimization, liner optimization, and metal.

  5. [Raman spectroscopic investigation of hydrogen storage in nitrogen gas hydrates].

    Science.gov (United States)

    Meng, Qing-guo; Liu, Chang-ling; Ye, Yu-guang; Li, Cheng-feng

    2012-08-01

    Recently, hydrogen storage using clathrate hydrate as a medium has become a hotspot of hydrogen storage research In the present paper, the laser Raman spectroscopy was used to study the hydrogen storage in nitrogen hydrate. The synthetic nitrogen hydrate was reacted with hydrogen gas under relatively mild conditions (e.g., 15 MPa, -18 degrees C). The Raman spectra of the reaction products show that the hydrogen molecules have enclathrated the cavities of the nitrogen hydrate, with multiple hydrogen cage occupancies in the clathrate cavities. The reaction time is an important factor affecting the hydrogen storage in nitrogen hydrate. The experimental results suggest that nitrogen hydrates are expected to be an effective media for hydrogen storage.

  6. Hydrogen Fire in a Storage Vessel

    Science.gov (United States)

    Hester, Zena M.

    2010-01-01

    On October 23, 2007, the operations team began a procedure to sample the Liquid Hydrogen (LH2) storage vessels ("tanks"), and associated transfer system. This procedure was being performed to determine the conditions within the system, and if necessary, to purge the system of any excess Gaseous Hydrogen (GH2) in preparation for reactivation of the system. The system had not been used since 2003. The LH2 storage system contains two (2) spherical pressure vessels of 225,000 gallons in volume, with a maximum working pressure (MAWP) of 50 psig. Eight inch transfer piping connects them to the usage point. Operations began with activation of the burnstack for the LH2 storage area. Pneumatic (GN2) systems in the storage area were then activated and checked. Pressurization of storage tank number 1 with gaseous nitrogen (GN2) was initiated, with a target pressure of 10 psig, at which point samples were planned to be taken. At 5 psig, a loud noise was heard in the upper area of tank number 2. Smoke was seen exiting the burnstack and from the insulation on vent lines for both tanks. At this time tank number 1 was vented and the pressurization system was secured. The mishap resulted in physical damage to both storage tanks, as well as to some of the piping for both tanks. Corrective action included repair of the damaged hardware by a qualified contractor. Preventive action included documented organizational policy and procedures for establishing standby and mothball conditions for facilities and equipment, including provisions as detailed in the investigation report recommendations: Recommendation 1: The using organization should define necessary activities in order to place hydrogen systems in long term periods of inactivity. The defined activities should address requirements for rendering inert, isolation (i.e., physical disconnect, double block and bleed, etc.) and periodic monitoring. Recommendation 2: The using organization should develop a process to periodically monitor

  7. Hydrogen storage in the form of metal hydrides

    Science.gov (United States)

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

    1984-01-01

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

  8. Synthesis of zeolite-templated carbons for hydrogen storage applications

    CSIR Research Space (South Africa)

    Musyoka, Nicholas M

    2013-10-01

    Full Text Available Hydrogen storage has been a key bottle-neck in the actualization of hydrogen as an energy carrier. The new field of hydrogen storage in templated carbonaceous materials has excited many researchers and considerable effort is being directed...

  9. Surface analysis, hydrogen adsorption and electrochemical performance of alkali-reduce treated hydrogen storage alloy

    Institute of Scientific and Technical Information of China (English)

    陈卫祥; 徐铸德; 涂江平; 李海洋; 陈石; 袁俊; 鲍世宁

    2002-01-01

    The hydrogen storage alloy powders (MlNi4.0Co0.6Al0.4, Ml=rich-La mischmetal) were treated in a hot 6mol/L KOH+0.02mol/L KBH4 solution, the surface compositions and chemical states of the treated and untreated alloys were analyzed by XPS and EDX, the hydrogen adsorption on the surface of these alloys was evaluated by thermal desorption spectroscopy (TDS), the effects of the surface treatment on the electrochemical performances of the alloy electrodes were investigated. The results show that the hydrogen adsorption is greatly strengthened by the surface modification, and hence leads to marked improvement in the electrocatalytic activity, the treated alloy exhibits higher exchange current density and lower apparent activation energy for the hydrogen electrode reaction than the untreated alloy.

  10. Synthesis,characterization and hydrogen storage capacity of MS2 (M - Mo,TI) nanotubes

    Institute of Scientific and Technical Information of China (English)

    Ma Hua; Tao Zhanliang; Gao Feng; Chen Jun; Yuan Huatang

    2006-01-01

    The structure,morphology and hydrogen-storage capacity of MS2 (M = Mo,Ti) nanotubes prepared by different experimental methods were studied.It was found that the MoS2 nanotubes treated by KOH displayed the gaseous storage capacity of 1.2 wt% hydrogen (under the hydrogen pressure of 3 MPa and 25℃) and the electrochemical discharge capacity of 262 mAh/g (at the discharge current density of 50 mA/g and 25℃) that corresponds to about 1.0 wt% hydrogen.In comparison,TiS2 nanotubes can store 2.5 wt% hydrogen under the hydrogen pressure of 4 MPa and 25℃,The results show that MS2 compound nanotubes are promising materials for hydrogen storage.

  11. Hydrogen Storage Enhancement Attained by Fixation of Ti on MWNTs

    Directory of Open Access Journals (Sweden)

    J. J. Pérez-Bueno

    2012-01-01

    Full Text Available Nowadays, hydrogen has a preponderant position among the potentially sustainable energy sources. Due to its power density, its storage is of main concern when considering a broad use in practical applications. Carbon nanotubes constitute promising candidates for the design and construction of hydrogen storage devices. This work explores the use of some procedures involving electrochemistry, aimed to bond atomic Ti on the outer surface of MWNTs. Each titanium atom has the potential of hosting two hydrogen molecules and relinquishing them by heating. Nevertheless, nanotubes are difficult to handle due to electrostatic charge and agglomeration, and in this context, two routes were tested as procedures to spread and stick nanotubes on an electrode: (1 a functionalization capable of attaching gold was tested in two forms, as either using 4 nm particles or a flat gold electrode. The fixation of Au particles was confirmed by HRTEM. (2 A simpler route that consisted on drying a CH2Cl2/nanotubes solution previously spread on a glassy carbon flat electrode. CH2Cl2 was selected as the medium and TiCl4 as the precursor for attaching atomic Ti to the nanotubes. The results revealed that hydrogen adsorption, estimated from voltamperometry, was five times higher on Ti-MWNTs than on bare nanotubes.

  12. Coupling of exothermic and endothermic hydrogen storage materials

    Energy Technology Data Exchange (ETDEWEB)

    Brooks, Kriston P.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Houghton, Adrian Y.; Autrey, S. Thomas

    2016-08-01

    Chemical hydrogen storage (CHS) materials are a high-storage-density alternative to the gaseous compressed hydrogen currently used to provide hydrogen for fuel cell vehicles. One of the challenges of CHS materials is addressing the thermodynamic and kinetic barriers required to break the chemical bonds and release the hydrogen. Coupling CHS reactions that are endothermic and exothermic during the dehydrogenation can improve the system on-board energy efficiency and thermal control, making such materials viable. Acceptable coupling between reactions requires both thermodynamic and kinetics considerations. Models were developed to predict the reaction enthalpy and rate required to achieve high conversions for both reactions based on experimental measurements. These modeling results show that the efficiency of coupling of an exothermic and endothermic reaction is more sensitive the magnitude of the ratio of the exothermic and endothermic enthalpies than the ratio of the rates of the two steps. The modeling shows further that a slower rate of the endothermic step is desirable to permit sufficient heating of the reactor by the exothermic step. We look at two examples of a sequential and parallel reaction scheme and provide some of the first insight into the required temperature range to maximize the H2 release from 1,2-BN cyclohexane and indoline.

  13. Hydrogen isotope storage in zircaloy scrap

    Energy Technology Data Exchange (ETDEWEB)

    Lee, H. S.; Kuk, I. H.; Chung, H.; Paek, S. W.; Kang, H. S

    1999-08-01

    8 MCi of tritium a year will be produced after wolsong TRF is in operation. The metal hydride form is one of useful tritium storage. The metals in use for metal hydride are uranium, titanium, etc., however uranium is limited to use by regulation, and titanium is relatively costly. Both metals are not produced in country but whole amount is imported. On the other hand 2,000kg of zircaloy scrap is produced by CANDU nuclear fuel fabrication process, which is also useful for hydrogen storage. The purpose of this study is to evaluation of hydrogen absorption capacity for zircaloy scrap that is produced as waste by CANDU nuclear fuel fabrication process. The sample evacuated for an hour at 1000 deg C. The strip showed higher capacity : 0.7 at 25 deg C, 2.0 at 200 deg C, 2.0 at 200 deg C, 2.0 at 400 deg C, respectively. The H/M values for commercial zircaloy sponge were 2.0 at 25 deg C and 2.0 at 400 deg C.

  14. Compressorless Gas Storage and Regenerative Hydrogen Purification Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Microwave regenerative sorption media gas storage/delivery techniques are proposed to address both compressed gas management and hydrogen purification requirements...

  15. On the mechanism of hydrogen storage in a metal-organic framework material.

    Science.gov (United States)

    Belof, Jonathan L; Stern, Abraham C; Eddaoudi, Mohamed; Space, Brian

    2007-12-12

    Monte Carlo simulations were performed modeling hydrogen sorption in a recently synthesized metal-organic framework material (MOF) that exhibits large molecular hydrogen uptake capacity. The MOF is remarkable because at 78 K and 1.0 atm it sorbs hydrogen at a density near that of liquid hydrogen (at 20 K and 1.0 atm) when considering H2 density in the pores. Unlike most other MOFs that have been investigated for hydrogen storage, it has a highly ionic framework and many relatively small channels. The simulations demonstrate that it is both of these physical characteristics that lead to relatively strong hydrogen interactions in the MOF and ultimately large hydrogen uptake. Microscopically, hydrogen interacts with the MOF via three principle attractive potential energy contributions: Van der Waals, charge-quadrupole, and induction. Previous simulations of hydrogen storage in MOFs and other materials have not focused on the role of polarization effects, but they are demonstrated here to be the dominant contribution to hydrogen physisorption. Indeed, polarization interactions in the MOF lead to two distinct populations of dipolar hydrogen that are identified from the simulations that should be experimentally discernible using, for example, Raman spectroscopy. Since polarization interactions are significantly enhanced by the presence of a charged framework with narrow pores, MOFs are excellent hydrogen storage candidates.

  16. Storage of hydrogen in floating catalytic carbon nanotubes after graphitizing

    Institute of Scientific and Technical Information of China (English)

    朱宏伟; 李雪松; 慈立杰; 徐才录; 毛宗强; 梁吉; 吴德海

    2002-01-01

    Hydrogen storage under moderate pressure (~10 Mpa) and ambient temperature (~25℃) in multi-walled carbon nanotubes (MWNTs) prepared by the floating catalyst method is investigated. The capacity of hydrogen adsorption is evaluated based on both the nanotubes diameter and morphology. Indirect evidence indicates that hydrogen adsorption not only occurs on tube surface and interiors, but also in tube interlayers. The results show that the floating catalytic carbon nanotubes might be a candidate hydrogen storage material for fuel cell electric vehicles.

  17. BIMETALLIC LITHIUM BOROHYDRIDES TOWARD REVERSIBLE HYDROGEN STORAGE

    Energy Technology Data Exchange (ETDEWEB)

    Au, M.

    2010-10-21

    Borohydrides such as LiBH{sub 4} have been studied as candidates for hydrogen storage because of their high hydrogen contents (18.4 wt% for LiBH{sub 4}). Limited success has been made in reducing the dehydrogenation temperature by adding reactants such as metals, metal oxides and metal halides. However, full rehydrogenation has not been realized because of multi-step decomposition processes and the stable intermediate species produced. It is suggested that adding second cation in LiBH{sub 4} may reduce the binding energy of B-H. The second cation may also provide the pathway for full rehydrogenation. In this work, several bimetallic borohydrides were synthesized using wet chemistry, high pressure reactive ball milling and sintering processes. The investigation found that the thermodynamic stability was reduced, but the full rehydrogenation is still a challenge. Although our experiments show the partial reversibility of the bimetallic borohydrides, it was not sustainable during dehydriding-rehydriding cycles because of the accumulation of hydrogen inert species.

  18. Computational investigation and design of coordination compounds for hydrogen storage

    DEFF Research Database (Denmark)

    Hummelshøj, Jens Strabo

    Two classes of high capacity hydrogen storage materials, the metal tetrahydroborates and the metal ammines, were investigated at the atomic scale using density functional theory simulations. It was shown that simple model structures could be used to asses the stabilities of complex systems. Trends...... are questionable and should be investigated further. The ab-/desorption cycles of magnesium and calcium ammines were analyzed and the faster kinetics of the magnesium ammines could be explained by a layered structure of magnesium chloride. It was found that doping calcium chloride with iodine could force...

  19. First-principles study of hydrogen storage on Li12F12 nano-cage

    Science.gov (United States)

    Zhang, Yafei; Cheng, Xinlu

    2017-03-01

    We use the first-principles calculation based on density functional theory (DFT) to investigate the hydrogen storage on Li12F12 nano-cage. Our result indicates the largest hydrogen gravimetric density is 7.14 wt% and this is higher than the 2017 target from the US department of energy (DOE). Meanwhile, the average adsorption energy is -0.161 eV/H2, which is desirable for absorbing and desorbing H2 molecules at near ambient conditions. These findings will have important implications on designing hydrogen storage materials in the future.

  20. Storage of hydrogen at 303 K in graphite slitlike pores from grand canonical Monte Carlo simulation.

    Science.gov (United States)

    Kowalczyk, Piotr; Tanaka, Hideki; Hołyst, Robert; Kaneko, Katsumi; Ohmori, Takumi; Miyamoto, Junichi

    2005-09-15

    Grand canonical Monte Carlo (GCMC) simulations were used for the modeling of the hydrogen adsorption in idealized graphite slitlike pores. In all simulations, quantum effects were included through the Feynman and Hibbs second-order effective potential. The simulated surface excess isotherms of hydrogen were used for the determination of the total hydrogen storage, density of hydrogen in graphite slitlike pores, distribution of pore sizes and volumes, enthalpy of adsorption per mole, total surface area, total pore volume, and average pore size of pitch-based activated carbon fibers. Combining experimental results with simulations reveals that the density of hydrogen in graphite slitlike pores at 303 K does not exceed 0.014 g/cm(3), that is, 21% of the liquid-hydrogen density at the triple point. The optimal pore size for the storage of hydrogen at 303 K in the considered pore geometry depends on the pressure of storage. For lower storage pressures, p optimal pore width is equal to a 2.2 collision diameter of hydrogen (i.e., 0.65 nm), whereas, for p congruent with 50MPa, the pore width is equal to an approximately 7.2 collision diameter of hydrogen (i.e., 2.13 nm). For the wider pores, that is, the pore width exceeds a 7.2 collision diameter of hydrogen, the surface excess of hydrogen adsorption is constant. The importance of quantum effects is recognized in narrow graphite slitlike pores in the whole range of the hydrogen pressure as well as in wider ones at high pressures of bulk hydrogen. The enthalpies of adsorption per mole for the considered carbonaceous materials are practically constant with hydrogen loading and vary within the narrow range q(st) congruent with 7.28-7.85 kJ/mol. Our systematic study of hydrogen adsorption at 303 K in graphite slitlike pores gives deep insight into the timely problem of hydrogen storage as the most promising source of clean energy. The calculated maximum storage of hydrogen is equal to approximately 1.4 wt %, which is far from

  1. Hydrogen Peroxide Storage in Small Sealed Tanks

    Energy Technology Data Exchange (ETDEWEB)

    Whitehead, J.

    1999-10-20

    Unstabilized hydrogen peroxide of 85% concentration has been prepared in laboratory quantities for testing material compatibility and long term storage on a small scale. Vessels made of candidate tank and liner materials ranged in volume from 1 cc to 2540 cc. Numerous metals and plastics were tried at the smallest scales, while promising ones were used to fabricate larger vessels and liners. An aluminum alloy (6061-T6) performed poorly, including increasing homogeneous decay due to alloying elements entering solution. The decay rate in this high strength aluminum was greatly reduced by anodizing. Better results were obtained with polymers, particularly polyvinylidene fluoride. Data reported herein include ullage pressures as a function of time with changing decay rates, and contamination analysis results.

  2. Light metal hydrides and complex hydrides for hydrogen storage.

    Science.gov (United States)

    Schüth, F; Bogdanović, B; Felderhoff, M

    2004-10-21

    The availability of feasible methods for hydrogen storage is one of the key-maybe the key-requirements for the large scale application of PEM fuel cells in cars. There are in principle four different approaches, i.e. cryostorage in liquid form, high pressure storage, storage in the form of a chemical compound which is converted to hydrogen by on-board reforming, or reversible chemical storage in different kinds of storage materials. New developments in the field of chemical storage make such systems attractive compared to the other options. This review will discuss the different possibilities for chemical storage of hydrogen and the focus on the presently most advanced system with respect to storage capacity and kinetics, i.e. catalyzed alanates, especially NaAlH(4).

  3. Role of exposed metal sites in hydrogen storage in MOFs.

    Science.gov (United States)

    Vitillo, Jenny G; Regli, Laura; Chavan, Sachin; Ricchiardi, Gabriele; Spoto, Giuseppe; Dietzel, Pascal D C; Bordiga, Silvia; Zecchina, Adriano

    2008-07-02

    The role of exposed metal sites in increasing the H2 storage performances in metal-organic frameworks (MOFs) has been investigated by means of IR spectrometry. Three MOFs have been considered: MOF-5, with unexposed metal sites, and HKUST-1 and CPO-27-Ni, with exposed Cu(2+) and Ni(2+), respectively. The onset temperature of spectroscopic features associated with adsorbed H2 correlates with the adsorption enthalpy obtained by the VTIR method and with the shift experienced by the H-H stretching frequency. This relationship can be ascribed to the different nature and accessibility of the metal sites. On the basis of a pure energetic evaluation, it was observed that the best performance was shown by CPO-27-Ni that exhibits also an initial adsorption enthalpy of -13.5 kJ mol(-1), the highest yet observed for a MOF. Unfortunately, upon comparison of the hydrogen amounts stored at high pressure, the hydrogen capacities in these conditions are mostly dependent on the surface area and total pore volume of the material. This means that if control of MOF surface area can benefit the total stored amounts, only the presence of a great number of strong adsorption sites can make the (P, T) storage conditions more economically favorable. These observations lead to the prediction that efficient H2 storage by physisorption can be obtained by increasing the surface density of strong adsorption sites.

  4. NREL Advances Spillover Materials for Hydrogen Storage (Fact Sheet)

    Energy Technology Data Exchange (ETDEWEB)

    2010-12-01

    This fact sheet describes NREL's accomplishments in advancing spillover materials for hydrogen storage and improving the reproducible synthesis, long-term durability, and material costs of hydrogen storage materials. Work was performed by NREL's Chemical and Materials Science Center.

  5. New perspectives on potential hydrogen storage materials using high pressure.

    Science.gov (United States)

    Song, Yang

    2013-09-21

    In addressing the global demand for clean and renewable energy, hydrogen stands out as the most suitable candidate for many fuel applications that require practical and efficient storage of hydrogen. Supplementary to the traditional hydrogen storage methods and materials, the high-pressure technique has emerged as a novel and unique approach to developing new potential hydrogen storage materials. Static compression of materials may result in significant changes in the structures, properties and performance that are important for hydrogen storage applications, and often lead to the formation of unprecedented phases or complexes that have profound implications for hydrogen storage. In this perspective article, 22 types of representative potential hydrogen storage materials that belong to four major classes--simple hydride, complex hydride, chemical hydride and hydrogen containing materials--were reviewed. In particular, their structures, stabilities, and pressure-induced transformations, which were reported in recent experimental works together with supporting theoretical studies, were provided. The important contextual aspects pertinent to hydrogen storage associated with novel structures and transitions were discussed. Finally, the summary of the recent advances reviewed and the insight into the future research in this direction were given.

  6. A Novel Sandwich-type Dinuclear Complex for High-capacity Hydrogen Storage%A Novel Sandwich-type Dinuclear Complex for High-capacity Hydrogen Storage

    Institute of Scientific and Technical Information of China (English)

    朱海燕; 陈元振; 李赛; 曹秀贞; 柳永宁

    2012-01-01

    From density functional theory (DFT) calculations, we predicted that the sandwich-type dinuclear organometallic compounds Cpffi2 and Cp2Sc2 can adsorb up to eight hydrogen molecules respectively, corresponding to a high gravimetric storage capacity of 6.7% and 6.8% (w), respectively. These sandwich-type organometallocenes proposed in this work are favorable for reversible adsorption and desorption of hydrogen at ambient conditions.

  7. Predicting New Materials for Hydrogen Storage Application

    Directory of Open Access Journals (Sweden)

    Helmer Fjellvåg

    2009-12-01

    Full Text Available Knowledge about the ground-state crystal structure is a prerequisite for the rational understanding of solid-state properties of new materials. To act as an efficient energy carrier, hydrogen should be absorbed and desorbed in materials easily and in high quantities. Owing to the complexity in structural arrangements and difficulties involved in establishing hydrogen positions by x-ray diffraction methods, the structural information of hydrides are very limited compared to other classes of materials (like oxides, intermetallics, etc.. This can be overcome by conducting computational simulations combined with selected experimental study which can save environment, money, and man power. The predicting capability of first-principles density functional theory (DFT is already well recognized and in many cases structural and thermodynamic properties of single/multi component system are predicted. This review will focus on possible new classes of materials those have high hydrogen content, demonstrate the ability of DFT to predict crystal structure, and search for potential meta-stable phases. Stabilization of such meta-stable phases is also discussed.

  8. Polyaniline-polypyrrole composites with enhanced hydrogen storage capacities.

    Science.gov (United States)

    Attia, Nour F; Geckeler, Kurt E

    2013-06-13

    A facile method for the synthesis of polyaniline-polypyrrole composite materials with network morphology is developed based on polyaniline nanofibers covered by a thin layer of polypyrrole via vapor phase polymerization. The hydrogen storage capacity of the composites is evaluated at room temperature exhibits a twofold increase in hydrogen storage capacity. The HCl-doped polyaniline nanofibers exhibit a storage capacity of 0.46 wt%, whereas the polyaniline-polypyrrole composites could store 0.91 wt% of hydrogen gas. In addition, the effect of the dopant type, counteranion size, and the doping with palladium nanoparticles on the storage properties are also investigated.

  9. Nanoporous metal organic framework materials for hydrogen storage

    Institute of Scientific and Technical Information of China (English)

    Bo Xiao; Qingchun Yuan

    2009-01-01

    Hydrogen is expected to play an important role in future transportation as a promising alternative clean energy source to carbon-based fuels.One of the key challenges to commercialize hydrogen energy is to develop appropriate onboard hydrogen storage systems,capable of charging and discharging large quantities of hydrogen with fast enough kinetics to meet commercial requirements.Metal organic framework (MOF) is a new type of inorganic and organic hybrid nanoporous particulate materials.Its diverse networks can enhance hydrogen storage through tuning the structure and property of MOFs.The MOF materials so far developed adsorb hydrogen through weak disperston interactions,which allow significant quantity of hydrogen to be stored at cryogenic temperatures with fast kinetics.Novel MOFs are being developed to strengthen the interactions between hydrogen and MOFs in order to store hydrogen under ambient conditions.This review surveys the development of such candidate materials,their performance and future research needs.

  10. Metal-Assisted Hydrogen Storage on Pt-Decorated Single-Walled Carbon Nanohorns

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yun [National Institute of Standards and Technology (NIST); Brown, Craig [National Institute of Standards and Technology (NIST); Neumann, Dan [National Institute of Standards and Technology (NIST); Geohegan, David B [ORNL; Puretzky, Alexander A [ORNL; Rouleau, Christopher M [ORNL; Hu, Hui [ORNL; Styers-Barnett, David J [ORNL; Krasnov, Pavel O. [Rice University; Yakobson, Boris I. [Rice University

    2012-01-01

    The catalytic dissociation of hydrogen molecules by metal nanoparticles and spillover of atomic hydrogen onto various supports is a well-established phenomenon in catalysis. However, the mechanisms by which metal catalyst nanoparticles can assist in enhanced hydrogen storage on high-surface area supports are still under debate. Experimental measurements of metal-assisted hydrogen storage have been hampered by inaccurate estimation of atomically stored hydrogen deduced from comparative measurements between metal-decorated and undecorated samples. Here we report a temperature cycling technique combined with inelastic neutron scattering (INS) measurements of quantum rotational transitions of molecular H2 to more accurately quantify adsorbed hydrogen aided by catalytic particles using single samples. Temperature cycling measurements on single-wall carbon nanohorns (SWCNHs) decorated with 2-3 nm Pt nanoparticles showed 0.17 % mass fraction of metal-assisted hydrogen storage (at 0.5 MPa) at room temperature. Temperature cycling of Pt-decorated SWCNHs using a Sievert s apparatus also indicated metal-assisted hydrogen adsorption of 0.08 % mass fraction at 5 MPa at room temperature. No additional metal-assisted hydrogen storage was observed in SWCNH samples without Pt nanoparticles cycled to room temperature, or in Pt-SWCNHs when the temperature was cycled to less than 150K. The possible formation of C-H bonds due to spilled-over atomic hydrogen was also investigated using both INS and density functional theory calculations.

  11. Simulation and Modelling of MOFs for Hydrogen Storage

    OpenAIRE

    Başdoğan, Yasemin; Keskin Avcı, Seda

    2015-01-01

    Metal organic frameworks (MOFs) have received significant attention in recent years both from academia and industry since this new class of nanoporous materials has many potential advantages over traditional nanoporous materials in gas storage and separation applications. Hydrogen storage has been one of the most widely investigated applications of MOFs and recent experimental studies have shown that several MOFs are promising for hydrogen storage at low temperatures and moderate pressures. I...

  12. Simulation and Modelling of MOFs for Hydrogen Storage

    OpenAIRE

    Başdoğan, Yasemin; Keskin Avcı, Seda

    2015-01-01

    Metal organic frameworks (MOFs) have received significant attention in recent years both from academia and industry since this new class of nanoporous materials has many potential advantages over traditional nanoporous materials in gas storage and separation applications. Hydrogen storage has been one of the most widely investigated applications of MOFs and recent experimental studies have shown that several MOFs are promising for hydrogen storage at low temperatures and moderate pressures. I...

  13. Hydrogen Storage in Magnesium Clusters: Quantum Chemical Study

    NARCIS (Netherlands)

    Wagemans, R.W.P.; van Lenthe, J.H.|info:eu-repo/dai/nl/068417942; de Jongh, P.E.|info:eu-repo/dai/nl/186125372; van Dillen, A.J.|info:eu-repo/dai/nl/111157625; de Jong, K.P.|info:eu-repo/dai/nl/06885580X

    2005-01-01

    Magnesium hydride is cheap and contains 7.7 wt % hydrogen, making it one of the most attractive hydrogen storage materials. However, thermodynamics dictate that hydrogen desorption from bulk magnesium hydride only takes place at or above 300 degrees C, which is a major impediment for practical

  14. Spark Discharge Generated Nanoparticles for Hydrogen Storage Applications

    NARCIS (Netherlands)

    Vons, V.A.

    2010-01-01

    One of the largest obstacles to the large scale application of hydrogen powered fuel cell vehicles is the absence of hydrogen storage methods suitable for application on-board of these vehicles. Metal hydrides are materials in which hydrogen is reversibly absorbed by one or more metals or

  15. Hydrogen gas storage in fluorinated ultramicroporous tunnel crystal.

    Science.gov (United States)

    Kataoka, Keisuke; Katagiri, Toshimasa

    2012-08-21

    We report hydrogen storage at an ordinary pressure due to a bottle-neck effect of an ultramicroporous crystal. Stored hydrogen was kept at an ordinary pressure below -110 °C. The amounts of stored hydrogen gas linearly correlated with the initial pressures. These phenomena suggested the ultramicroporous tunnels worked as a molecular gas cylinder.

  16. Spark Discharge Generated Nanoparticles for Hydrogen Storage Applications

    NARCIS (Netherlands)

    Vons, V.A.

    2010-01-01

    One of the largest obstacles to the large scale application of hydrogen powered fuel cell vehicles is the absence of hydrogen storage methods suitable for application on-board of these vehicles. Metal hydrides are materials in which hydrogen is reversibly absorbed by one or more metals or combinatio

  17. In Pursuit of Sustainable Hydrogen Storage with Boron-Nitride Fullerene as the Storage Medium.

    Science.gov (United States)

    Ganguly, Gaurab; Malakar, Tanmay; Paul, Ankan

    2016-06-22

    Using well calibrated DFT studies we predict that experimentally synthesized B24 N24 fullerene can serve as a potential reversible chemical hydrogen storage material with hydrogen-gas storage capacity up to 5.13 wt %. Our theoretical studies show that hydrogenation and dehydrogenation of the fullerene framework can be achieved at reasonable rates using existing metal-free hydrogenating agents and base metal-containing dehydrogenation catalysts.

  18. Electron Charged Graphite-based Hydrogen Storage Material

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Chinbay Q. Fan; D Manager

    2012-03-14

    The electron-charge effects have been demonstrated to enhance hydrogen storage capacity using materials which have inherent hydrogen storage capacities. A charge control agent (CCA) or a charge transfer agent (CTA) was applied to the hydrogen storage material to reduce internal discharge between particles in a Sievert volumetric test device. GTI has tested the device under (1) electrostatic charge mode; (2) ultra-capacitor mode; and (3) metal-hydride mode. GTI has also analyzed the charge distribution on storage materials. The charge control agent and charge transfer agent are needed to prevent internal charge leaks so that the hydrogen atoms can stay on the storage material. GTI has analyzed the hydrogen fueling tank structure, which contains an air or liquid heat exchange framework. The cooling structure is needed for hydrogen fueling/releasing. We found that the cooling structure could be used as electron-charged electrodes, which will exhibit a very uniform charge distribution (because the cooling system needs to remove heat uniformly). Therefore, the electron-charge concept does not have any burden of cost and weight for the hydrogen storage tank system. The energy consumption for the electron-charge enhancement method is quite low or omitted for electrostatic mode and ultra-capacitor mode in comparison of other hydrogen storage methods; however, it could be high for the battery mode.

  19. Hydrogen storage studies of palladium decorated nitrogen doped graphene nanoplatelets.

    Science.gov (United States)

    Vinayan, B P; Sethupathi, K; Ramaprabhu, S

    2012-08-01

    Hydrogen storage in materials is of significant importance in the present scenario of depleting conventional energy sources. Porous solids such as activated carbon or nanostructured carbon materials have promising future as hydrogen storage media. The hydrogen storage capacity in nanostructured carbon materials can be further enhanced by atomic hydrogen spillover from a supported catalyst. In the present work, the hydrogen storage properties of nitrogen doped graphene nanoplatelets (N-GNP) and palladium decorated nitrogen doped graphene nanoplatelets (Pd/N-GNP) have been investigated. The results show that hydrogen uptake capacity of nitrogen doped graphene nanoplatelets and palladium decorated nitrogen doped graphene nanoplatelets at pressure 32 bar and temperature 25 degrees C is 0.42 wt% and 1.25 wt% respectively. The dispersion of palladium nanoparticles increases the hydrogen storage capacity of nitrogen doped graphene nanoplatelets by 0.83 wt%. This may be due to high dispersion of palladium nanoparticles and strong adhesion between metal and graphene nanoplatelets over the surface of N-GNP, which enhances the spillover mechanism. Thus, an increase in the hydrogen spillover effect and the binding energy between metal nanoparticles and supporting material achieved by nitrogen doping has been observed to result in a higher hydrogen storage capacity of pristine GNP.

  20. Hydrogen Energy Storage (HES) Activities at NREL; NREL (National Renewable Energy Laboratory)

    Energy Technology Data Exchange (ETDEWEB)

    Eichman, J.

    2015-04-21

    This presentation provides an overview of hydrogen and energy storage, including hydrogen storage pathways and international power-to-gas activities, and summarizes the National Renewable Energy Laboratory's hydrogen energy storage activities and results.

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

    DEFF Research Database (Denmark)

    Payandeh GharibDoust, SeyedHosein

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

  2. First principles DFT investigation of yttrium-doped graphene: Electronic structure and hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Desnavi, Sameerah, E-mail: sameerah-desnavi@zhcet.ac.in [Department of Electronic Engineering, ZHCET, Aligarh Muslim University, Aligarh-202002 (India); Chakraborty, Brahmananda; Ramaniah, Lavanya M. [High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Mumbai-400085 (India)

    2014-04-24

    The electronic structure and hydrogen storage capability of Yttrium-doped grapheme has been theoretically investigated using first principles density functional theory (DFT). Yttrium atom prefers the hollow site of the hexagonal ring with a binding energy of 1.40 eV. Doping by Y makes the system metallic and magnetic with a magnetic moment of 2.11 μ{sub B}. Y decorated graphene can adsorb up to four hydrogen molecules with an average binding energy of 0.415 eV. All the hydrogen atoms are physisorbed with an average desorption temperature of 530.44 K. The Y atoms can be placed only in alternate hexagons, which imply a wt% of 6.17, close to the DoE criterion for hydrogen storage materials. Thus, this system is potential hydrogen storage medium with 100% recycling capability.

  3. Lithium boride sheet and nanotubes: structure and hydrogen storage.

    Science.gov (United States)

    Zhang, Hong; Wang, Jing; Tian, Zhi-Xue; Liu, Ying

    2015-06-07

    A new class of Li-B sheets, along with the related nanotubes, with a Li2B5 primitive cell has been designed using first-principles density functional theory. The dynamical stability of the proposed structures was confirmed by calculation of the soft phonon modes, and the calculated electronic structures show that all are metallic. The application of both the sheets and nanotubes for hydrogen storage has been investigated and it has been found that both of them can adsorb two H2 molecules around each Li atom, with an average binding energy of 0.152-0.194 eV per H2, leading to a gravimetric density of 10.6 wt%.

  4. New insights into designing metallacarborane based room temperature hydrogen storage media.

    Science.gov (United States)

    Bora, Pankaj Lochan; Singh, Abhishek K

    2013-10-28

    Metallacarboranes are promising towards realizing room temperature hydrogen storage media because of the presence of both transition metal and carbon atoms. In metallacarborane clusters, the transition metal adsorbs hydrogen molecules and carbon can link these clusters to form metal organic framework, which can serve as a complete storage medium. Using first principles density functional calculations, we chalk out the underlying principles of designing an efficient metallacarborane based hydrogen storage media. The storage capacity of hydrogen depends upon the number of available transition metal d-orbitals, number of carbons, and dopant atoms in the cluster. These factors control the amount of charge transfer from metal to the cluster, thereby affecting the number of adsorbed hydrogen molecules. This correlation between the charge transfer and storage capacity is general in nature, and can be applied to designing efficient hydrogen storage systems. Following this strategy, a search for the best metallacarborane was carried out in which Sc based monocarborane was found to be the most promising H2 sorbent material with a 9 wt.% of reversible storage at ambient pressure and temperature.

  5. Hydrogen Research for Spaceport and Space-Based Applications: Hydrogen Production, Storage, and Transport. Part 3

    Science.gov (United States)

    Anderson, Tim; Balaban, Canan

    2008-01-01

    The activities presented are a broad based approach to advancing key hydrogen related technologies in areas such as fuel cells, hydrogen production, and distributed sensors for hydrogen-leak detection, laser instrumentation for hydrogen-leak detection, and cryogenic transport and storage. Presented are the results from research projects, education and outreach activities, system and trade studies. The work will aid in advancing the state-of-the-art for several critical technologies related to the implementation of a hydrogen infrastructure. Activities conducted are relevant to a number of propulsion and power systems for terrestrial, aeronautics and aerospace applications. Hydrogen storage and in-space hydrogen transport research focused on developing and verifying design concepts for efficient, safe, lightweight liquid hydrogen cryogenic storage systems. Research into hydrogen production had a specific goal of further advancing proton conducting membrane technology in the laboratory at a larger scale. System and process trade studies evaluated the proton conducting membrane technology, specifically, scale-up issues.

  6. Hydrogen storage in sodium aluminum hydride.

    Energy Technology Data Exchange (ETDEWEB)

    Ozolins, Vidvuds; Herberg, J.L. (Lawrence Livermore National Laboratories, Livermore, CA); McCarty, Kevin F.; Maxwell, Robert S. (Lawrence Livermore National Laboratories, Livermore, CA); Stumpf, Roland Rudolph; Majzoub, Eric H.

    2005-11-01

    Sodium aluminum hydride, NaAlH{sub 4}, has been studied for use as a hydrogen storage material. The effect of Ti, as a few mol. % dopant in the system to increase kinetics of hydrogen sorption, is studied with respect to changes in lattice structure of the crystal. No Ti substitution is found in the crystal lattice. Electronic structure calculations indicate that the NaAlH{sub 4} and Na{sub 3}AlH{sub 6} structures are complex-ionic hydrides with Na{sup +} cations and AlH{sub 4}{sup -} and AlH{sub 6}{sup 3-} anions, respectively. Compound formation studies indicate the primary Ti-compound formed when doping the material at 33 at. % is TiAl{sub 3} , and likely Ti-Al compounds at lower doping rates. A general study of sorption kinetics of NaAlH{sub 4}, when doped with a variety of Ti-halide compounds, indicates a uniform response with the kinetics similar for all dopants. NMR multiple quantum studies of solution-doped samples indicate solvent interaction with the doped alanate. Raman spectroscopy was used to study the lattice dynamics of NaAlH{sub 4}, and illustrated the molecular ionic nature of the lattice as a separation of vibrational modes between the AlH{sub 4}{sup -} anion-modes and lattice-modes. In-situ Raman measurements indicate a stable AlH{sub 4}{sup -} anion that is stable at the melting temperature of NaAlH{sub 4}, indicating that Ti-dopants must affect the Al-H bond strength.

  7. Innovative and cost competitive hydrogen storage systems: STORHY- A European integrated Project

    Energy Technology Data Exchange (ETDEWEB)

    Strubel, V.; Bartlok, G.; Krainz, G.; Gauthier, A.; Mair, G.; Muller, J.; Barral, K.; Zieger, J.

    2005-07-01

    Session Alternative fuel and drive train solutions represent one of the biggest challenge for the vehicle of the future. Current research activities related to hydrogen as an energy carrier indicate that the concept of a hydrogen economy has considerably gained in credibility in recent years. One main technical gap for the wide commercialisation of hydrogen-fuelled vehicles is the improvement of hydrogen storage systems in terms of efficiency, cost and safety. This is indeed the main objective of the Integrated Project StorHy within the EU 6th Framework Programme. In IP StorHy, the major European automotive companies, gas suppliers, research institutes and universities will develop innovative and cost competitive storage solutions with a view to mass production. Technologies of 700 bar compressed gaseous hydrogen storage vessels will be investigated in terms of the following criteria: novel liner materials, modular storage vessel concept, liner and composite vessel manufacturing processes, fast-filling processes for 700 bar vessels applying cool filling protocols, safety on-board monitoring system, recyclability, 700 bar exchangeable rack. Thanks to its low working pressure (compared to high-pressure systems), cryogenic storage of liquid hydrogen allows for new concepts with conformable geometries more suited to vehicle design. Furthermore, the use of new composite materials entails a great potential for weight reduction - with these materials a specific energy storage mass similar to conventional fuel tanks can be achieved. As for the solid hydrogen storage technologies, the StorHy project focuses on light weight complex alanates as these are considered as one of the most promising materials for solid hydrogen storage. The investigations concentrate on improving hydrogen storage density as well as hydrogenation/dehydrogenation kinetics. Furthermore, material production processes capable of supplying larger quantities of storage material for a demonstrator tank

  8. Thermodynamics and Kinetics of Phase Transformations in Hydrogen Storage Materials

    Energy Technology Data Exchange (ETDEWEB)

    Ceder, Gerbrand; Marzari, Nicola

    2011-08-31

    The aim of this project is to develop and apply computational materials science tools to determine and predict critical properties of hydrogen storage materials. By better understanding the absorption/desorption mechanisms and characterizing their physical properties it is possible to explore and evaluate new directions for hydrogen storage materials. Particular emphasis is on the determination of the structure and thermodynamics of hydrogen storage materials, the investigation of microscopic mechanisms of hydrogen uptake and release in various materials and the role of catalysts in this process. As a team we have decided to focus on a single material, NaAlH{sub 4}, in order to fully be able to study the many aspects of hydrogen storage. We have focused on phase stability, mass transport and size-dependent reaction mechanisms in this material.

  9. Transition metal based borohydrides for hydrogen storage

    Science.gov (United States)

    Jayanthi, Chakram; Liu, Jianjun; Wei, Suhuai; Zhao, Yufeng

    2010-03-01

    Using ab-initio studies based on the density-functional theory, we have calculated binding energies per hydrogen molecule for decomposition reactions of transition metal borohydrides MHxB12H12 to MB12 structures, where M corresponds to Sc, Ti, or V. Depending on the valence of the transition metal, x can be 1, 2, or 3. Crystal structures considered for MB12 included both hypothetical and those found in the international crystallographic structural database. On the other hand, the crystal structure considered for MHxB12H12 belongs to C2/c (space group 15) structure as reported in a previous study [V. Ozolins et al. JACS, 131, 230 (2009)]. Among the structures investigated, Titanium-based metal borohydride structure has the lowest binding energy per hydrogen molecule relative to the cubic TiB12 structure (˜0.37 eV/H2). Our finding should be contrasted with the binding energy/H2 for simple metal based borohydrides (e.g., CaB12H12 ), which has a value of ˜ 1.5 eV/H2, suggesting that transition metals play a significant role in lowering the H2 binding energy in borohydrides.

  10. Proceedings of the DOE chemical energy storage and hydrogen energy systems contracts review

    Energy Technology Data Exchange (ETDEWEB)

    1980-02-01

    Sessions were held on electrolysis-based hydrogen storage systems, hydrogen production, hydrogen storage systems, hydrogen storage materials, end-use applications and system studies, chemical heat pump/chemical energy storage systems, systems studies and assessment, thermochemical hydrogen production cycles, advanced production concepts, and containment materials. (LHK)

  11. Strategies for the improvement of the hydrogen storage properties of metal hydride materials.

    Science.gov (United States)

    Wu, Hui

    2008-10-24

    Metal hydrides are an important family of materials that can potentially be used for safe, efficient and reversible on-board hydrogen storage. Light-weight metal hydrides in particular have attracted intense interest due to their high hydrogen density. However, most of these hydrides have rather slow absorption kinetics, relatively high thermal stability, and/or problems with the reversibility of hydrogen absorption/desorption cycling. This paper discusses a number of different approaches for the improvement of the hydrogen storage properties of these materials, with emphasis on recent research on tuning the ionic mobility in mixed hydrides. This concept opens a promising pathway to accelerate hydrogenation kinetics, reduce the activation energy for hydrogen release, and minimize deleterious possible by-products often associated with complex hydride systems.

  12. Combining photocatalytic hydrogen generation and capsule storage in graphene based sandwich structures

    Science.gov (United States)

    Yang, Li; Li, Xiyu; Zhang, Guozhen; Cui, Peng; Wang, Xijun; Jiang, Xiang; Zhao, Jin; Luo, Yi; Jiang, Jun

    2017-07-01

    The challenge of safe hydrogen storage has limited the practical application of solar-driven photocatalytic water splitting. It is hard to isolate hydrogen from oxygen products during water splitting to avoid unwanted reverse reaction or explosion. Here we propose a multi-layer structure where a carbon nitride is sandwiched between two graphene sheets modified by different functional groups. First-principles simulations demonstrate that such a system can harvest light and deliver photo-generated holes to the outer graphene-based sheets for water splitting and proton generation. Driven by electrostatic attraction, protons penetrate through graphene to react with electrons on the inner carbon nitride to generate hydrogen molecule. The produced hydrogen is completely isolated and stored with a high-density level within the sandwich, as no molecules could migrate through graphene. The ability of integrating photocatalytic hydrogen generation and safe capsule storage has made the sandwich system an exciting candidate for realistic solar and hydrogen energy utilization.

  13. Polyaniline as a material for hydrogen storage applications.

    Science.gov (United States)

    Attia, Nour F; Geckeler, Kurt E

    2013-07-12

    The main challenge of commercialization of the hydrogen economy is the lack of convenient and safe hydrogen storage materials, which can adsorb and release a significant amount of hydrogen at ambient conditions. Finding and designing suitable cost-effective materials are vital requirements to overcome the drawbacks of investigated materials. Because of its outstanding electronic, thermal, and chemical properties, the electrically conducting polyaniline (PANI) has a high potential in hydrogen storage applications. In this review, the progress in the use of different structures of conducting PANI, its nanocomposites as well as activated porous materials based on PANI as hydrogen storage materials is presented and discussed. The effect of the unique electronic properties based on the π-electron system in the backbone of these materials in view of the hydrogen uptake and the relevant mechanisms are highlighted.

  14. Hydrogen Storage at Ambient Temperature by the Spillover Mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Yang , Ralph T.

    2011-02-04

    The goal of this project was to develop new nanostructured sorbent materials, using the hydrogen spillover mechanism that could meet the DOE 2010 system targets for on-board vehicle hydrogen storage. Hydrogen spillover may be broadly defined as the transport (i.e., via surface diffusion) of dissociated hydrogen adsorbed or formed on a first surface onto another surface. The first surface is typically a metal (that dissociates H2) and the second surface is typically the support on which the metal is doped. Hydrogen spillover is a well documented phenomenon in the catalysis literature, and has been known in the catalysis community for over four decades, although it is still not well understood.1, 2 Much evidence has been shown in the literature on its roles played in catalytic reactions. Very little has been studied on hydrogen storage by spillover at ambient temperature. However, it is also known to occur at such temperature, e.g., direct evidence has been shown for spillover on commercial fuel-cell, highly dispersed Pt/C, Ru/C and PtRu/C catalysts by inelastic neutron scattering.3 To exploit spillover for storage, among the key questions are whether spillover is reversible at ambient temperature and if the adsorption (refill) and desorption rates at ambient temperature are fast enough for automotive applications. In this project, we explored new sorbents by using a transition metal (e.g., Pt, Ru, Pd and Ni) as the H2 dissociation source and sorbents as the hydrogen receptor. The receptors included superactivated carbons (AX-21 and Maxsorb), metal organic frameworks (MOFs) and zeolites. Different metal doping methods have been used successfully to achieve high metal dispersion thereby allowing significant spillover enhancements, as well as a bridging technique used for bridging to MOFs. Among the metals tested, Pt is the hardest to achieve high metal dispersion (and consequently spillover) while Ru is the easiest to disperse. By properly dispersing Pt on

  15. Hydrogen Storage at Ambient Temperature by the Spillover Mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Yang , Ralph T.

    2011-02-04

    The goal of this project was to develop new nanostructured sorbent materials, using the hydrogen spillover mechanism that could meet the DOE 2010 system targets for on-board vehicle hydrogen storage. Hydrogen spillover may be broadly defined as the transport (i.e., via surface diffusion) of dissociated hydrogen adsorbed or formed on a first surface onto another surface. The first surface is typically a metal (that dissociates H2) and the second surface is typically the support on which the metal is doped. Hydrogen spillover is a well documented phenomenon in the catalysis literature, and has been known in the catalysis community for over four decades, although it is still not well understood.1, 2 Much evidence has been shown in the literature on its roles played in catalytic reactions. Very little has been studied on hydrogen storage by spillover at ambient temperature. However, it is also known to occur at such temperature, e.g., direct evidence has been shown for spillover on commercial fuel-cell, highly dispersed Pt/C, Ru/C and PtRu/C catalysts by inelastic neutron scattering.3 To exploit spillover for storage, among the key questions are whether spillover is reversible at ambient temperature and if the adsorption (refill) and desorption rates at ambient temperature are fast enough for automotive applications. In this project, we explored new sorbents by using a transition metal (e.g., Pt, Ru, Pd and Ni) as the H2 dissociation source and sorbents as the hydrogen receptor. The receptors included superactivated carbons (AX-21 and Maxsorb), metal organic frameworks (MOFs) and zeolites. Different metal doping methods have been used successfully to achieve high metal dispersion thereby allowing significant spillover enhancements, as well as a bridging technique used for bridging to MOFs. Among the metals tested, Pt is the hardest to achieve high metal dispersion (and consequently spillover) while Ru is the easiest to disperse. By properly dispersing Pt on

  16. Predicting hydrogen and methane adsorption in carbon nanopores for energy storage

    Science.gov (United States)

    Ihm, Yungok; Morris, James; Cooper, Valentino; Morris Lab, U. tennessee Collaboration; Advanced material Group, ORNL Collaboration

    2013-03-01

    There are increasing demands for alternate fuels for transportation, which requires safe, high energy density, lightweight storage materials. Experimental measurements and theoretical predictions show relatively low hydrogen storage capacities in various porous materials, limiting hydrogen as a viable alternative for automobiles. In this work, we use a continuum model based on van der Waals density functional (vdW-DF) calculations to elucidate the role that long-range interactions play in the hydrogen adsorption properties of model slit nanopores in carbon. The proper treatment of long-range interactions gives an optimal pore size for hydrogen storage of 8-9 Å (larger than previously predicted). Remarkably, we find a peak hydrogen density close to that of liquid H2 at ambient temperatures, in agreement with recent experimental results on pore-size dependent adsorption in nanoporous carbon. We then show that such nanopores would be better suited to storing methane, possibly providing an alternative to fill the gap between the capacity required by DOE goals and that attainable with current hydrogen storage technology. Research supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division.

  17. Davisson-Germer Prize Talk: Hydrogen storage in nanoporous materials

    Science.gov (United States)

    Chabal, Yves

    2009-03-01

    To develop a hydrogen-based energy technology, several classes of materials are being considered to achieve the DOE targets for gravimetric and volumetric hydrogen densities for hydrogen storage, including liquids (e.g. ammonium borohydrides), clathrate structures, complex metal hydrides, nanostructured (e.g. carbon) an nanoporous materials. Fundamental studies are necessary to determine the ultimate hydrogen capacity of each system. Nanoporous Metal-organic Framework (MOF) materials are promising candidates for hydrogen storage because the chemical nature and size of their unit cell can be tailored to weakly attract and incorporate H2 molecules, with good volumetric and mass density. In this talk, we consider the structure M2(BDC)2(TED), where M is a metal atom (Zn, Ni, Cu), BDC is benzenedicarboxylate and TED triethylenediamine, to determine the location and interaction of H2 molecules within the MOF. These compounds are isostructural and crystallize in the tetragonal phase (space group P4/ncc), they construct 3D porous structures with relatively large pore size (˜7-8 A ), pore volume (˜0.63-0.84 cc/g) and BET surface area (˜1500-1900 m^2/g). At high pressures (300-800 psi), the perturbation of the H-H stretching mode can be measured with IR absorption spectroscopy, showing a 35 cm-1 redshift from the unperturbed ortho (4155 cm-1 ) and para (4161 cm-1 ) frequencies. Using a newly developed non empirical van der Waals DFT method vdW-DFT),ootnotetextJ.Y. Lee, D.H. Olson, L. Pan, T.J. Emge, J. Li, Adv. Func. Mater. 17, 1255 (2007) it can be shown that the locus of the deepest H2 binding positions lies within to types of narrow channels. The energies of the most stable binding sites, as well as the number of such binding sites, are consistent with the values obtained from experimental adsorption isotherms, and heat of adsorption) data.ootnotetextM. Dion, H. Ryberg, E. Schroder, D. C. Langreth, B.I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004). Importantly, the

  18. Technical and economic aspects of hydrogen storage in metal hydrides

    Science.gov (United States)

    Schmitt, R.

    1981-01-01

    The recovery of hydrogen from such metal hydrides as LiH, MgH2, TiH2, CaH2 and FeTiH compounds is studied, with the aim of evaluating the viability of the technique for the storage of hydrogen fuel. The pressure-temperature dependence of the reactions, enthalpies of formation, the kinetics of the hydrogen absorption and desorption, and the mechanical and chemical stability of the metal hydrides are taken into account in the evaluation. Economic aspects are considered. Development of portable metal hydride hydrogen storage reservoirs is also mentioned.

  19. Design of Multi-Decker Incorporated Metal Organic Frameworks for Hydrogen Storage

    Science.gov (United States)

    Boggavarapu, Kiran; Kandalam, Anil

    2009-03-01

    Metal Organic Frameworks (MOFs) are a new class of rationally designed microporous hybrid (organic-inorganic) materials. They have recently gained attention as potential hydrogen storage systems with gravimetric density meeting the DOE 2015 targets of 9 wt%. However, due to weak interaction between the molecular hydrogen and the host MOF (see figure), high pressures are required to reach the target storage levels. Recently, multi-decker organometallic complexes are shown to exhibit the ideal thermodynamics and kinetics for hydrogen storage. However, it is not clear if these multi-decker complexes can retain their hydrogen storage capability when assembled into a bulk-material. In this presentation, we investigate the hydrogen storage capability of a new class of materials by combining the strengths of MOFs and decker complexes. An ideal way to integrate these two systems is to incorporate the multi-deckers into the structural framework of MOFs. In these hybrid materials, the multi-decker units are expected to maintain their structural integrity and there by retaining the hydrogen storage capacity with an added advantage of being a part of stable porous MOF back-bone.

  20. Electric utility applications of hydrogen energy storage systems

    Energy Technology Data Exchange (ETDEWEB)

    Swaminathan, S.; Sen, R.K.

    1997-10-15

    This report examines the capital cost associated with various energy storage systems that have been installed for electric utility application. The storage systems considered in this study are Battery Energy Storage (BES), Superconducting Magnetic Energy Storage (SMES) and Flywheel Energy Storage (FES). The report also projects the cost reductions that may be anticipated as these technologies come down the learning curve. This data will serve as a base-line for comparing the cost-effectiveness of hydrogen energy storage (HES) systems in the electric utility sector. Since pumped hydro or compressed air energy storage (CAES) is not particularly suitable for distributed storage, they are not considered in this report. There are no comparable HES systems in existence in the electric utility sector. However, there are numerous studies that have assessed the current and projected cost of hydrogen energy storage system. This report uses such data to compare the cost of HES systems with that of other storage systems in order to draw some conclusions as to the applications and the cost-effectiveness of hydrogen as a electricity storage alternative.

  1. Hydrogen storage performance of functionalized hexagonal boron nitride for fuel cell applications

    Science.gov (United States)

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

    2017-05-01

    Developing light weight, safe, efficient and compact hydrogen storage medium are still the major concerns for the blooming of hydrogen based energy economy. In the present article, activated hexagonal boron nitride (ABN) and ABN functionalized with lithium borohydride (ABN-LiBH4) nanocomposite based hydrogen storage medium are synthesized. where a facile solvent-assistant technique was adopted for the preparation of ABN-LiBH4 nanocomposite. The prepared hydrogen storage medium was subjected to various characterization techniques such as XRD, FTIR, SEM, EDX, CHNS - elemental analysis and TGA. Sievert's-like hydrogenation setup has been utilized for hydrogenation studies. It is noticed that the ABN-LiBH4 nanocomposite exhibits an attractive high gravimetric density of 1.67 wt% at 100 °C than pristine ABN. Moreover the stored hydrogen is released in the temperature range of 115 - 150 °C and possesses an average binding energy of 0.31 eV. These results indicate that the prepared ABN-LiBH4 nanocomposite paves a way to potential solid state hydrogen storage medium towards fuel cell technology as per the targets set by US Department of Energy (DOE).

  2. Novel progress in the development of hydrogen storage materials

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    @@ A new dehydrogenation mechanism for LiBH4, a new hydrogen storage material, has recently been developed by CAS scientists and their coworkersfrom the University of Nottingham, showing a promising future for its onboard applications.

  3. Low Pressure Adsorbent for Recovery & Storage Vented Hydrogen Project

    Data.gov (United States)

    National Aeronautics and Space Administration — A high performance fullerene-based adsorbent is proposed for recovery and storage hydrogen and separating helium via pressure-swing-adsorption (PSA) process....

  4. Inherent safety key performance indicators for hydrogen storage systems.

    Science.gov (United States)

    Landucci, Gabriele; Tugnoli, Alessandro; Cozzani, Valerio

    2008-11-30

    The expected inherent safety performance of hydrogen storage technologies was investigated. Reference schemes were defined for alternative processes proposed for hydrogen storage, and several storage potentialities were considered. The expected safety performance of alternative process technologies was explored estimating key performance indicators based on consequence assessment and credit factors of possible loss of containment events. The results indicated that the potential hazard is always lower for the innovative technologies proposed for hydrogen storage, as metal or complex hydrides. This derived mainly from the application of the inherent safety principles of "substitution" and "moderation", since in these processes hydrogen is stored as a less hazardous hydride. However, the results also evidenced that in the perspective of an industrial implementation of these technologies, the reliability of the auxiliary equipment will be a critical issue to be addressed.

  5. Radiation Shielding and Hydrogen Storage with Multifunctional Carbon Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This project addresses two vital problems for long-term space travel activities: radiation shielding and hydrogen storage for power and propulsion. While both...

  6. Analysis and Design of Cryogenic Pressure Vessels for Automotive Hydrogen Storage

    Science.gov (United States)

    Espinosa-Loza, Francisco Javier

    Cryogenic pressure vessels maximize hydrogen storage density by combining the high pressure (350-700 bar) typical of today's composite pressure vessels with the cryogenic temperature (as low as 25 K) typical of low pressure liquid hydrogen vessels. Cryogenic pressure vessels comprise a high-pressure inner vessel made of carbon fiber-coated metal (similar to those used for storage of compressed gas), a vacuum space filled with numerous sheets of highly reflective metalized plastic (for high performance thermal insulation), and a metallic outer jacket. High density of hydrogen storage is key to practical hydrogen-fueled transportation by enabling (1) long-range (500+ km) transportation with high capacity vessels that fit within available spaces in the vehicle, and (2) reduced cost per kilogram of hydrogen stored through reduced need for expensive structural material (carbon fiber composite) necessary to make the vessel. Low temperature of storage also leads to reduced expansion energy (by an order of magnitude or more vs. ambient temperature compressed gas storage), potentially providing important safety advantages. All this is accomplished while simultaneously avoiding fuel venting typical of cryogenic vessels for all practical use scenarios. This dissertation describes the work necessary for developing and demonstrating successive generations of cryogenic pressure vessels demonstrated at Lawrence Livermore National Laboratory. The work included (1) conceptual design, (2) detailed system design (3) structural analysis of cryogenic pressure vessels, (4) thermal analysis of heat transfer through cryogenic supports and vacuum multilayer insulation, and (5) experimental demonstration. Aside from succeeding in demonstrating a hydrogen storage approach that has established all the world records for hydrogen storage on vehicles (longest driving range, maximum hydrogen storage density, and maximum containment of cryogenic hydrogen without venting), the work also

  7. U.S. Department of Energy Hydrogen Storage Cost Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Law, Karen; Rosenfeld, Jeffrey; Han, Vickie; Chan, Michael; Chiang, Helena; Leonard, Jon

    2013-03-11

    The overall objective of this project is to conduct cost analyses and estimate costs for on- and off-board hydrogen storage technologies under development by the U.S. Department of Energy (DOE) on a consistent, independent basis. This can help guide DOE and stakeholders toward the most-promising research, development and commercialization pathways for hydrogen-fueled vehicles. A specific focus of the project is to estimate hydrogen storage system cost in high-volume production scenarios relative to the DOE target that was in place when this cost analysis was initiated. This report and its results reflect work conducted by TIAX between 2004 and 2012, including recent refinements and updates. The report provides a system-level evaluation of costs and performance for four broad categories of on-board hydrogen storage: (1) reversible on-board metal hydrides (e.g., magnesium hydride, sodium alanate); (2) regenerable off-board chemical hydrogen storage materials(e.g., hydrolysis of sodium borohydride, ammonia borane); (3) high surface area sorbents (e.g., carbon-based materials); and 4) advanced physical storage (e.g., 700-bar compressed, cryo-compressed and liquid hydrogen). Additionally, the off-board efficiency and processing costs of several hydrogen storage systems were evaluated and reported, including: (1) liquid carrier, (2) sodium borohydride, (3) ammonia borane, and (4) magnesium hydride. TIAX applied a bottom-up costing methodology customized to analyze and quantify the processes used in the manufacture of hydrogen storage systems. This methodology, used in conjunction with ® software and other tools, developed costs for all major tank components, balance-of-tank, tank assembly, and system assembly. Based on this methodology, the figure below shows the projected on-board high-volume factory costs of the various analyzed hydrogen storage systems, as designed. Reductions in the key cost drivers may bring hydrogen storage system costs closer to this DOE target

  8. 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 pressur

  9. 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

  10. High capacity hydrogen storage materials: attributes for automotive applications and techniques for materials discovery.

    Science.gov (United States)

    Yang, Jun; Sudik, Andrea; Wolverton, Christopher; Siegel, Donald J

    2010-02-01

    Widespread adoption of hydrogen as a vehicular fuel depends critically upon the ability to store hydrogen on-board at high volumetric and gravimetric densities, as well as on the ability to extract/insert it at sufficiently rapid rates. As current storage methods based on physical means--high-pressure gas or (cryogenic) liquefaction--are unlikely to satisfy targets for performance and cost, a global research effort focusing on the development of chemical means for storing hydrogen in condensed phases has recently emerged. At present, no known material exhibits a combination of properties that would enable high-volume automotive applications. Thus new materials with improved performance, or new approaches to the synthesis and/or processing of existing materials, are highly desirable. In this critical review we provide a practical introduction to the field of hydrogen storage materials research, with an emphasis on (i) the properties necessary for a viable storage material, (ii) the computational and experimental techniques commonly employed in determining these attributes, and (iii) the classes of materials being pursued as candidate storage compounds. Starting from the general requirements of a fuel cell vehicle, we summarize how these requirements translate into desired characteristics for the hydrogen storage material. Key amongst these are: (a) high gravimetric and volumetric hydrogen density, (b) thermodynamics that allow for reversible hydrogen uptake/release under near-ambient conditions, and (c) fast reaction kinetics. To further illustrate these attributes, the four major classes of candidate storage materials--conventional metal hydrides, chemical hydrides, complex hydrides, and sorbent systems--are introduced and their respective performance and prospects for improvement in each of these areas is discussed. Finally, we review the most valuable experimental and computational techniques for determining these attributes, highlighting how an approach that

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

    Energy Technology Data Exchange (ETDEWEB)

    VAJO, JOHN

    2014-06-12

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

  12. Fatigue test of carbon epoxy composite high pressure hydrogen storage vessel under hydrogen environment

    Institute of Scientific and Technical Information of China (English)

    Chuan-xiang ZHENG; Liang WANG; Rong LI; Zong-xin WEI; Wei-wei ZHOU

    2013-01-01

    A significant temperature raise within hydrogen vehicle cylinder during the fast filling process will be observed,while the strength and fatigue life of the cylinder will dramatically decrease at high temperature.In order to evaluate the strength and fatigue of composite hydrogen storage vessel,a 70-MPa fatigue test system using hydrogen medium was set up.Experimental study on the fatigue of composite hydrogen storage vessels under real hydrogen environment was performed.The experimental results show that the ultimate strength and fatigue life both decreased obviously compared with the values under hydraulic fatigue test.Furthermore,fatigue property,failure behavior,and safe hydrogen charging/discharging working mode of onboard hydrogen storage vessels were obtained through the fatigue tests.

  13. Liquid-phase chemical hydrogen storage: catalytic hydrogen generation under ambient conditions.

    Science.gov (United States)

    Jiang, Hai-Long; Singh, Sanjay Kumar; Yan, Jun-Min; Zhang, Xin-Bo; Xu, Qiang

    2010-05-25

    There is a demand for a sufficient and sustainable energy supply. Hence, the search for applicable hydrogen storage materials is extremely important owing to the diversified merits of hydrogen energy. Lithium and sodium borohydride, ammonia borane, hydrazine, and formic acid have been extensively investigated as promising hydrogen storage materials based on their relatively high hydrogen content. Significant advances, such as hydrogen generation temperatures and reaction kinetics, have been made in the catalytic hydrolysis of aqueous lithium and sodium borohydride and ammonia borane as well as in the catalytic decomposition of hydrous hydrazine and formic acid. In this Minireview we briefly survey the research progresses in catalytic hydrogen generation from these liquid-phase chemical hydrogen storage materials.

  14. The Influence of Graphene Curvature on Hydrogen Adsorption: Towards Hydrogen Storage Devices

    CERN Document Server

    Goler, Sarah; Tozzini, Valentina; Piazza, Vincenzo; Mashoff, Torge; Beltram, Fabio; Pellegrini, Vittorio; Heun, Stefan

    2013-01-01

    The ability of atomic hydrogen to chemisorb on graphene makes the latter a promising material for hydrogen storage. Based on scanning tunneling microscopy techniques, we report on site-selective adsorption of atomic hydrogen on convexly curved regions of monolayer graphene grown on SiC(0001). This system exhibits an intrinsic curvature owing to the interaction with the substrate. We show that at low coverage hydrogen is found on convex areas of the graphene lattice. No hydrogen is detected on concave regions. These findings are in agreement with theoretical models which suggest that both binding energy and adsorption barrier can be tuned by controlling the local curvature of the graphene lattice. This curvature-dependence combined with the known graphene flexibility may be exploited for storage and controlled release of hydrogen at room temperature making it a valuable candidate for the implementation of hydrogen-storage devices.

  15. Pore structure of SWNTs with high hydrogen storage capacity

    Institute of Scientific and Technical Information of China (English)

    杨全红; 刘畅; 刘敏; 樊彦贞; 成会明; 王茂章

    2002-01-01

    This paper reveals, by analyses of nitrogen cryo-adsorption isotherm, the energetic and structural heterogeneity of single-walled carbon nanotubes (SWNTs) which has a high hydrogen storage capacity. It was found that SWNTs had manifold pore structures and distributed surface energy. By comparison of the pore structures and energy distributions of SWNTs before and after hydrogen adsorption, it is preliminarily indicated that hydrogen adsorption occurred in micropores and mesopores with smaller diameter, and that the pores of different diameters determined different hydrogen adsorption processes and underwent different structure changes during hydrogen adsorption.

  16. Hydrogen gas storage in fluorinated ultramicroporous tunnel crystal

    Science.gov (United States)

    Kataoka, Keisuke; Katagiri, Toshimasa

    2012-07-01

    We report hydrogen storage at an ordinary pressure due to a bottle-neck effect of an ultramicroporous crystal. Stored hydrogen was kept at an ordinary pressure below -110 °C. The amounts of stored hydrogen gas linearly correlated with the initial pressures. These phenomena suggested the ultramicroporous tunnels worked as a molecular gas cylinder.We report hydrogen storage at an ordinary pressure due to a bottle-neck effect of an ultramicroporous crystal. Stored hydrogen was kept at an ordinary pressure below -110 °C. The amounts of stored hydrogen gas linearly correlated with the initial pressures. These phenomena suggested the ultramicroporous tunnels worked as a molecular gas cylinder. Electronic supplementary information (ESI) available. CCDC 246922. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c2nr30940h

  17. Hydrogen Storage in Porous Materials and Magnesium Hydrides

    NARCIS (Netherlands)

    Grzech, A.

    2013-01-01

    In this thesis representatives of two different types of materials for potential hydrogen storage application are presented. Usage of either nanoporous materials or metal hydrides has both operational advantages and disadvantages. A main objective of this thesis is to characterize the hydrogen

  18. Hydrogen Storage in Porous Materials and Magnesium Hydrides

    NARCIS (Netherlands)

    Grzech, A.

    2013-01-01

    In this thesis representatives of two different types of materials for potential hydrogen storage application are presented. Usage of either nanoporous materials or metal hydrides has both operational advantages and disadvantages. A main objective of this thesis is to characterize the hydrogen stora

  19. Nanoconfined Alkali-metal borohydrides for Reversible Hydrogen Storage

    NARCIS (Netherlands)

    Ngene, P.|info:eu-repo/dai/nl/314121684

    2012-01-01

    Hydrogen has been identified as a promising energy carrier. Its combustion is not associated with pollution when generated from renewable energy sources like solar and wind. The large-scale use of hydrogen for intermittent energy storage and as a fuel for cars can contribute to the realization of a

  20. Opportunities and limitations of hydrogen storage in zeolitic clathrates

    NARCIS (Netherlands)

    Van den Berg, A.W.C.

    2006-01-01

    The feasibility of using zeolites, and more specifically the clathrasil subgroup, for hydrogen storage has been investigated by comparing their H2 loading rate and storage capacity to the technically required values. The uptake rate and capacity are determined by means of computational modelling for

  1. Nanosizing and nanoconfinement: new strategies towards meeting hydrogen storage goals

    NARCIS (Netherlands)

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

    2013-01-01

    Hydrogen is expected to play an important role as an energy carrier in a future, more sustainable society. However, its compact, efficient, and safe storage is an unresolved issue. One of the main options is solid-state storage in hydrides. Unfortunately, no binary metal hydride satisfies all

  2. Chemical Hydride Slurry for Hydrogen Production and Storage

    Energy Technology Data Exchange (ETDEWEB)

    McClaine, Andrew W

    2008-09-30

    University have demonstrated the technical viability of the process and have provided data for the cost analyses that have been performed. We also concluded that a carbothermic process could also produce magnesium at acceptable costs. The use of slurry as a medium to carry chemical hydrides has been shown during this project to offer significant advantages for storing, delivering, and distributing hydrogen: • Magnesium hydride slurry is stable for months and pumpable. • The oils of the slurry minimize the contact of oxygen and moisture in the air with the metal hydride in the slurry. Thus reactive chemicals, such as lithium hydride, can be handled safely in the air when encased in the oils of the slurry. • Though magnesium hydride offers an additional safety feature of not reacting readily with water at room temperatures, it does react readily with water at temperatures above the boiling point of water. Thus when hydrogen is needed, the slurry and water are heated until the reaction begins, then the reaction energy provides heat for more slurry and water to be heated. • The reaction system can be relatively small and light and the slurry can be stored in conventional liquid fuel tanks. When transported and stored, the conventional liquid fuel infrastructure can be used. • The particular metal hydride of interest in this project, magnesium hydride, forms benign byproducts, magnesium hydroxide (“Milk of Magnesia”) and magnesium oxide. • We have estimated that a magnesium hydride slurry system (including the mixer device and tanks) could meet the DOE 2010 energy density goals. During the investigation of hydriding techniques, we learned that magnesium hydride in a slurry can also be cycled in a rechargeable fashion. Thus, magnesium hydride slurry can act either as a chemical hydride storage medium or as a rechargeable hydride storage system. Hydrogen can be stored and delivered and then stored again thus significantly reducing the cost of storing and delivering

  3. Hydrogen Storage in Magnesium Clusters: Quantum Chemical Study

    OpenAIRE

    Wagemans, R.W.P.; van Lenthe, J.H.; de Jongh, P.E.; van Dillen, A.J.; de Jong, K. P.

    2005-01-01

    Magnesium hydride is cheap and contains 7.7 wt % hydrogen, making it one of the most attractive hydrogen storage materials. However, thermodynamics dictate that hydrogen desorption from bulk magnesium hydride only takes place at or above 300 degrees C, which is a major impediment for practical application. A few results in the literature, related to disordered materials and very thin layers, indicate that lower desorption temperatures are possible. We systematically investigated the effect of...

  4. Use of triphenyl phosphate as risk mitigant for metal amide hydrogen storage materials

    Energy Technology Data Exchange (ETDEWEB)

    Cortes-Concepcion, Jose A.; Anton, Donald L.

    2016-04-26

    A process in a resulting product of the process in which a hydrogen storage metal amide is modified by a ball milling process using an additive of TPP. The resulting product provides for a hydrogen storage metal amide having a coating that renders the hydrogen storage metal amide resistant to air, ambient moisture, and liquid water while improving useful hydrogen storage and release kinetics.

  5. Theoretical investigation of the borazine-melamine polymer as a novel candidate for hydrogen storage applications.

    Science.gov (United States)

    Dabbagh, Hossein A; Shahraki, Maryam; Farrokhpour, Hossein

    2014-06-14

    Ab initio calculations and molecular dynamic simulation were employed to study the interaction of molecular hydrogen with the borazine-melamine polymer (BMP) in order to explore its potential for hydrogen storage applications. The calculations were performed using the long range corrected version of density functional theory, the Coulomb-attenuating method (CAM-B3LYP) and the second order Møller-Plesset perturbation theory (MP2). The results showed that the average adsorption energy per hydrogen is about -0.7 and -0.3 kcal mol(-1) at the MP2/6-311+G(d,p) and CAMB3LYP/6-311+G(d,p) levels of theory, respectively. The adsorption energies were corrected for the basis set superposition error (BSSE) by the counterpoise method. It was found that the hydrogen storage capacity of the BMP is about 6.49 wt%, which is close to the values reported for the other selected materials for the hydrogen storage in the literature. The maximum number of hydrogen molecules, which were adsorbed by the BMP building block, is about ten. Molecular dynamic simulation was performed to assess the potential of BMP for hydrogen storage.

  6. Oxygen- and Lithium-Doped Hybrid Boron-Nitride/Carbon Networks for Hydrogen Storage.

    Science.gov (United States)

    Shayeganfar, Farzaneh; Shahsavari, Rouzbeh

    2016-12-20

    Hydrogen storage capacities have been studied on newly designed three-dimensional pillared boron nitride (PBN) and pillared graphene boron nitride (PGBN). We propose these novel materials based on the covalent connection of BNNTs and graphene sheets, which enhance the surface and free volume for storage within the nanomaterial and increase the gravimetric and volumetric hydrogen uptake capacities. Density functional theory and molecular dynamics simulations show that these lithium- and oxygen-doped pillared structures have improved gravimetric and volumetric hydrogen capacities at room temperature, with values on the order of 9.1-11.6 wt % and 40-60 g/L. Our findings demonstrate that the gravimetric uptake of oxygen- and lithium-doped PBN and PGBN has significantly enhanced the hydrogen sorption and desorption. Calculations for O-doped PGBN yield gravimetric hydrogen uptake capacities greater than 11.6 wt % at room temperature. This increased value is attributed to the pillared morphology, which improves the mechanical properties and increases porosity, as well as the high binding energy between oxygen and GBN. Our results suggest that hybrid carbon/BNNT nanostructures are an excellent candidate for hydrogen storage, owing to the combination of the electron mobility of graphene and the polarized nature of BN at heterojunctions, which enhances the uptake capacity, providing ample opportunities to further tune this hybrid material for efficient hydrogen storage.

  7. Atomic hydrogen storage method and apparatus

    Science.gov (United States)

    Woollam, J. A. (Inventor)

    1980-01-01

    Atomic hydrogen, for use as a fuel or as an explosive, is stored in the presence of a strong magnetic field in exfoliated layered compounds such as molybdenum disulfide or an elemental layer material such as graphite. The compounds maintained at liquid helium temperatures and the atomic hydrogen is collected on the surfaces of the layered compound which are exposed during delamination (exfoliation). The strong magnetic field and the low temperature combine to prevent the atoms of hydrogen from recombining to form molecules.

  8. A Cassette Based System for Hydrogen Storage and Delivery

    Energy Technology Data Exchange (ETDEWEB)

    Britton Wayne E.

    2006-11-29

    A hydrogen storage system is described and evaluated. This is based upon a cassette, that is a container for managing hydrogen storage materials. The container is designed to be safe, modular, adaptable to different chemistries, inexpensive, and transportable. A second module receives the cassette and provides the necessary infrastructure to deliver hydrogen from the cassette according to enduser requirements. The modular concept has a number of advantages over approaches that are all in one stand alone systems. The advantages of a cassette based system are discussed, along with results from model and laboratory testing.

  9. Ni foam-immobilized MIL-101(Cr) nanocrystals toward system integration for hydrogen storage

    CSIR Research Space (South Africa)

    Ren, Jianwei

    2015-10-01

    Full Text Available Metal–organic framework (MOF) materials are only obtained as loose powders with low packing density and thermal conductivity. To enable the developed MOF powdered materials to be utilized in a hydrogen storage system, in this study, MIL-101...

  10. Modification of single wall carbon nanotubes (SWNT) for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Rashidi, A.M.; Nouralishahi, A.; Karimi, A.; Kashefi, K. [Nanotechnology Research Center, Research Institute of petroleum industry (RIPI), Tehran (Iran); Khodadadi, A.A.; Mortazavi, Y. [Chemical engineering Department, University of Tehran, Tehran (Iran)

    2010-09-15

    Due to unique structural, mechanical and electrical properties of single wall carbon nanotubes, SWNTs, they have been proposed as promising hydrogen storage materials especially in automotive industries. This research deals with investing of CNT's and some activated carbons hydrogen storage capacity. The CNT's were prepared through natural gas decomposition at a temperature of 900 C over cobalt-molybdenum nanoparticles supported by nanoporous magnesium oxide (Co-Mo/MgO) during a chemical vapor deposition (CVD) process. The effects of purity of CNT (80-95%wt.) on hydrogen storage were investigated here. The results showed an improvement in the hydrogen adsorption capacity with increasing the purity of CNT's. Maximum adsorption capacity was 0.8%wt. in case of CNT's with 95% purity and it may be raised up with some purification to 1%wt. which was far less than the target specified by DOE (6.5%wt.). Also some activated carbons were manufactured and the results compared to CNTs. There were no considerable H{sub 2}-storage for carbon nanotubes and activated carbons at room-temperature due to insufficient binding between H{sub 2} molecules carbon nanostructures. Therefore, hydrogen must be adsorbed via interaction of atomic hydrogen with the storage environment in order to achieve DOE target, because the H atoms have a very stronger interaction with carbon nanostructures. (author)

  11. Recent advances in hydrogen storage technologies based on nanoporous carbon materials

    National Research Council Canada - National Science Library

    Seung Jae Yang Haesol Jung Taehoon Kim Chong Rae Park

    2012-01-01

    ... by-products.Prior to realizing a hydrogen economy,however,viable hydrogen storage materials must be developed.Physical adsorption in porous solids provides an opportunity for hydrogen storage under low-stringency...

  12. A single-component liquid-phase hydrogen storage material.

    Science.gov (United States)

    Luo, Wei; Campbell, Patrick G; Zakharov, Lev N; Liu, Shih-Yuan

    2011-12-07

    The current state-of-the-art for hydrogen storage is compressed H(2) at 700 bar. The development of a liquid-phase hydrogen storage material has the potential to take advantage of the existing liquid-based distribution infrastructure. We describe a liquid-phase hydrogen storage material that is a liquid under ambient conditions (i.e., at 20 °C and 1 atm pressure), air- and moisture-stable, and recyclable; releases H(2) controllably and cleanly at temperatures below or at the proton exchange membrane fuel cell waste-heat temperature of 80 °C; utilizes catalysts that are cheap and abundant for H(2) desorption; features reasonable gravimetric and volumetric storage capacity; and does not undergo a phase change upon H(2) desorption. © 2011 American Chemical Society

  13. Metallacarboranes: Towards promising hydrogen storage metal organic framework

    Science.gov (United States)

    Singh, Abhishek; Sadrzadeh, Arta; Yakobson, Boris

    2011-03-01

    Using first principles calculations we show the high hydrogen storage capacity of metallacarboranes, where the transition metal (TM) atoms bind hydrogen via Kubas interaction. The average binding energy of ~ 0.3 eV/H favorably lies within the reversible adsorption range The Sc and Ti are found to be the optimum metal atoms maximizing the number of stored H2 molecules. Depending upon the structure, metallacarboranes can adsorb up to 8 wt% of hydrogen, which exceeds DOE goal for 2015. Being integral part of the cage, TMs do not suffer from the aggregation problem. Furthermore, the presence of carbon atom in the cages permits linking the metallacarboranes to form metal organic frameworks (MOF), thus able to adsorb hydrogen via Kubas interaction, in addition to van der Waals physisorption. A. K. Singh, A. Sadrzadeh, and B. I. Yakobson, Metallacarboranes: Toward Promising Hydrogen Storage Metal Organic Frameworks, JACS 132,14126 (2010).

  14. Hydrogen storage in Li-doped metal-organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Himsl, D.; Hartmann, M. [Erlangen-Nuernberg Univ., Erlangen (Germany). Erlangen Catalysis Resource Center

    2010-12-30

    Porous Metal-Organic Frameworks have been considered as potential materials for solid state hydrogen storage in recent times. In this context their properties like high permanent porosity, large surface area and the ease of chemical modification due their modular assembly are highly attractive. Unfortunately these materials suffer from low physisorption interaction energies with hydrogen and consequently the need for low adsorption temperatures (77 K) to achieve sufficient hydrogen loadings. One possible approach to overcome the outlined problem is the introduction of unsaturated metal sites within the interior MOF surface to strengthen the adsorbate-adsorbent interaction. We established the functionalization with lithiumalkoxide groups via a post-synthetic transformation of pendant hydroxyl groups with a suitable lithium base. Our results show a significant increase of the isosteric heat of adsorption for hydrogen within the lithium-containing material, thus showing that our approach is a promising strategy to make hydrogen storage in Metal-Organic Frameworks more efficient. (orig.)

  15. A comparative analysis of the cryo-compression and cryo-adsorption hydrogen storage methods

    Energy Technology Data Exchange (ETDEWEB)

    Petitpas, G [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Benard, P [Universite du Quebec a Trois-Rivieres (Canada); Klebanoff, L E [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Xiao, J [Universite du Quebec a Trois-Rivieres (Canada); Aceves, S M [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-07-01

    While conventional low-pressure LH₂ dewars have existed for decades, advanced methods of cryogenic hydrogen storage have recently been developed. These advanced methods are cryo-compression and cryo-adsorption hydrogen storage, which operate best in the temperature range 30–100 K. We present a comparative analysis of both approaches for cryogenic hydrogen storage, examining how pressure and/or sorbent materials are used to effectively increase onboard H₂ density and dormancy. We start by reviewing some basic aspects of LH₂ properties and conventional means of storing it. From there we describe the cryo-compression and cryo-adsorption hydrogen storage methods, and then explore the relationship between them, clarifying the materials science and physics of the two approaches in trying to solve the same hydrogen storage task (~5–8 kg H₂, typical of light duty vehicles). Assuming that the balance of plant and the available volume for the storage system in the vehicle are identical for both approaches, the comparison focuses on how the respective storage capacities, vessel weight and dormancy vary as a function of temperature, pressure and type of cryo-adsorption material (especially, powder MOF-5 and MIL-101). By performing a comparative analysis, we clarify the science of each approach individually, identify the regimes where the attributes of each can be maximized, elucidate the properties of these systems during refueling, and probe the possible benefits of a combined “hybrid” system with both cryo-adsorption and cryo-compression phenomena operating at the same time. In addition the relationships found between onboard H₂ capacity, pressure vessel and/or sorbent mass and dormancy as a function of rated pressure, type of sorbent material and fueling conditions are useful as general designing guidelines in future engineering efforts using these two hydrogen storage approaches.

  16. Hydrogen storage and production in utility systems. Second annual progress report

    Energy Technology Data Exchange (ETDEWEB)

    Salzano, F.J. (ed.)

    1975-08-01

    Progress in the following three areas is reported: engineering analysis and design; hydrogen production and auxiliaries; and hydrogen storage development. Process designs for the 26-MW electric storage facility were completed. Work to determine the allowed break-even capital cost of ''black box'' electric storage devices is completed. Studies of the performance and temperature dependence of power consumption versus current density were completed for the Solid Polymer Electrolyte and KOH small multi-cell modules. Test Bed A-1, for long-term attrition studies, was operated for 1200 hydride-dehydride cycles. About 60 percent of the starting FeTi alloy suffered a factor of ten size reduction, but the ability to absorb hydrogen showed no decrease. (LK)

  17. Recommended Best Practices for the Characterization of Storage Properties of Hydrogen Storage Materials

    Energy Technology Data Exchange (ETDEWEB)

    None

    2010-03-01

    This is a reference guide to common methodologies and protocols for measuring critical performance properties of advanced hydrogen storage materials. It helps users to communicate clearly the relevant performance properties of new materials as they are discovered and tested.

  18. Electrochemical storage of hydrogen on carbon electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Jurewicz, K.; Frackowiak, E. [ICTE, Poznan University of Technology (Poland); Gautier, S.; Beguin, F. [CRMD, CNRS Universite, 45 - Orleans (France)

    2000-07-01

    Amount of hydrogen reversibly stored on an activated carbon electrode using electro-decomposition of 6 mol.l{sup -1} KOH aqueous solution has been investigated and compared data obtained under a high pressure of dihydrogen (70 bars) at 273 K. In the electrochemical method, 1.5 wt% of hydrogen was released from carbon during the oxidation process, with a well-defined plateau at ca. - 0.5 V vs Hg/HgO. Relatively smaller values were obtained for the sorption ability under a high pressure of gas. This means that the formation of nascent hydrogen during water reduction favours its easy penetration in the carbon nano-structure, even at ambient pressure and temperature. Our results show that not only carbon nano-tubes should be considered for hydrogen reservoir and that low cost materials such as activated carbons could be convenient in appropriate conditions.

  19. Hydrogen storage in insulated pressure vessels

    Energy Technology Data Exchange (ETDEWEB)

    Aceves, S.M.; Garcia-Villazana, O. [Lawrence Livermore National Lab., CA (United States)

    1998-08-01

    Insulated pressure vessels are cryogenic-capable pressure vessels that can be fueled with liquid hydrogen (LH{sub 2}) or ambient-temperature compressed hydrogen (CH{sub 2}). Insulated pressure vessels offer the advantages of liquid hydrogen tanks (low weight and volume), with reduced disadvantages (lower energy requirement for hydrogen liquefaction and reduced evaporative losses). This paper shows an evaluation of the applicability of the insulated pressure vessels for light-duty vehicles. The paper shows an evaluation of evaporative losses and insulation requirements and a description of the current analysis and experimental plans for testing insulated pressure vessels. The results show significant advantages to the use of insulated pressure vessels for light-duty vehicles.

  20. Use of reversible hydrides for hydrogen storage

    Science.gov (United States)

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

    1980-01-01

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

  1. Hydrogen storage alloy electrode; Suiso kyuzo gokin denkyoku

    Energy Technology Data Exchange (ETDEWEB)

    Kato, H.; Shirakawa, R. [The Furukawa Battery Co. Ltd., Fukushima (Japan)

    1997-12-16

    In a previous method of manufacturing of a hydrogen storage alloy electrode incorporated in t nickel-hydrogen battery as an negative electrode, the binding strength among the alloy powder is not so strong and is pulverized and falls off during charge and discharge processes and also it has a problem of lowering of the collecting ability and mechanical strength of the electrode when a large amount of a binder is used in order to prevent the falling off. This invention aims to present a hydrogen storage alloy electrode useful as an negative electrode of a nickel-hydrogen battery which prevents the falling off of the hydrogen storage alloy powder during charge and discharge processes and shows excellent charge and discharge cycle life characteristics for a long period. In this invention, the hydrogen storage alloy powder is bound with a silane coupling agent, more preferably, with a silane coupling agent and a water repellent or/and thickner. A fluorine-containing silane coupling agent is preferred as the silane coupling agent. 6 tabs.

  2. Hydrogen production and storage: R & D priorities and gaps

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2006-05-04

    This review of priorities and gaps in hydrogen production and storage R & D has been prepared by the IEA Hydrogen Implementing Agreement in the context of the activities of the IEA Hydrogen Co-ordination Group. It includes two papers. The first is by Trygve Riis, Elisabet F. Hagen, Preben J.S. Vie and Oeystein Ulleberg. This offers an overview of the technologies for hydrogen production. The technologies discussed are reforming of natural gas; gasification of coal and biomass; and the splitting of water by water-electrolysis, photo-electrolysis, photo-biological production and high-temperature decomposition. The second paper is by Trygve Riis, Gary Sandrock, Oeystein Ulleberg and Preben J.S. Vie. The objective of this paper is to provide a brief overview of the possible hydrogen storage options available today and in the foreseeable future. Hydrogen storage can be considered for onboard vehicular, portable, stationary, bulk, and transport applications, but the main focus of this paper is on vehicular storage, namely fuel cell or ICE/electric hybrid vehicles. 7 refs., 24 figs., 14 tabs.

  3. [Ca(BH4)2] n clusters as hydrogen storage material: A DFT study

    Science.gov (United States)

    Han, Cuiling; Dong, Yanyun; Wang, Bingqiang; Zhang, Caiyun

    2016-10-01

    Calcium borohydride is widely studied as a hydrogen storage material. However, investigations on calcium borohydride from a cluster perspective are seldom found. The geometric structures and binding energies of [Ca(BH4)2] n ( n = 1-4) clusters are determined using density function theory (DFT). For the most stable structures, vibration frequency, natural bond orbital (NBO) are calculated and discussed. The charge transfer from (BH4) to Ca was observed. Meanwhile, we also study the LUMO-HOMO gap ( E g) and the B-H bond dissociation energies (BDEs). [Ca(BH4)2]3 owns higher E g, revealing that trimer is more stable than the other forms. Structures don't change during optimization after hydrogen radical removal, showing that calcium borohydride could possibly be used as a reversible hydrogen storage material. [Ca(BH4)2]4 has the smallest dissociation energy suggesting it releases hydrogen more easily than others.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-09-05

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

  5. Standardized Testing Program for Solid-State Hydrogen Storage Technologies

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-07-30

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

  6. Evaluation of insulated pressure vessels for cryogenic hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Aceves, S M; Garcia-Villazana, O; Martinez-Frias, J

    1999-03-01

    This paper presents an analytical and experimental evaluation of the applicability of insulated pressure vessels for hydrogen-fueled light-duty vehicles. Insulated pressure vessels are cryogenic-capable pressure vessels that can be fueled with liquid hydrogen (LH?) or ambient-temperature compressed hydrogen (CH2). Insulated pressure vessels offer the advantages of liquid hydrogen tanks (low weight and volume), with reduced disadvantages (lower energy requirement for hydrogen liquefaction and reduced evaporative losses). The purpose of this work is to verify that commercially available aluminum-lined, fiber- wrapped vessels can be used for cryogenic hydrogen storage. The paper reports on previous and ongoing tests and analyses that have the purpose of improving the system design and assure its safety.

  7. Lunar-derived titanium alloys for hydrogen storage

    Science.gov (United States)

    Love, S.; Hertzberg, A.; Woodcock, G.

    1992-01-01

    Hydrogen gas, which plays an important role in many projected lunar power systems and industrial processes, can be stored in metallic titanium and in certain titanium alloys as an interstitial hydride compound. Storing and retrieving hydrogen with titanium-iron alloy requires substantially less energy investment than storage by liquefaction. Metal hydride storage systems can be designed to operate at a wide range of temperatures and pressures. A few such systems have been developed for terrestrial applications. A drawback of metal hydride storage for lunar applications is the system's large mass per mole of hydrogen stored, which rules out transporting it from earth. The transportation problem can be solved by using native lunar materials, which are rich in titanium and iron.

  8. 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

  9. Thermodynamically Tuned Nanophase Materials for reversible Hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Ping Liu; John J. Vajo

    2010-02-28

    This program was devoted to significantly extending the limits of hydrogen storage technology for practical transportation applications. To meet the hydrogen capacity goals set forth by the DOE, solid-state materials consisting of light elements were developed. Many light element compounds are known that have high capacities. However, most of these materials are thermodynamically too stable, and they release and store hydrogen much too slowly for practical use. In this project we developed new light element chemical systems that have high hydrogen capacities while also having suitable thermodynamic properties. In addition, we developed methods for increasing the rates of hydrogen exchange in these new materials. The program has significantly advanced (1) the application of combined hydride systems for tuning thermodynamic properties and (2) the use of nanoengineering for improving hydrogen exchange. For example, we found that our strategy for thermodynamic tuning allows both entropy and enthalpy to be favorably adjusted. In addition, we demonstrated that using porous supports as scaffolds to confine hydride materials to nanoscale dimensions could improve rates of hydrogen exchange by > 50x. Although a hydrogen storage material meeting the requirements for commercial development was not achieved, this program has provided foundation and direction for future efforts. More broadly, nanoconfinment using scaffolds has application in other energy storage technologies including batteries and supercapacitors. The overall goal of this program was to develop a safe and cost-effective nanostructured light-element hydride material that overcomes the thermodynamic and kinetic barriers to hydrogen reaction and diffusion in current materials and thereby achieve > 6 weight percent hydrogen capacity at temperatures and equilibrium pressures consistent with DOE target values.

  10. 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...... Transform Infra-red Spectroscopy, Magic Angle Spinning Nuclear Magnetic Resonance, Thermal Gravimetry, Differential Scanning Calorimetry, Mass Spectroscopy and lastly In Situ Powder X-ray diffraction measurements at l711 MAXLab....

  11. Energy storage possibilities of atomic hydrogen

    Science.gov (United States)

    Etters, R. D.; Dugan, J. V., Jr.; Palmer, R.

    1976-01-01

    Several recent experiments designed to produce and store macroscopic quantities of atomic hydrogen are discussed. The bulk, ground state properties of atomic hydrogen, deuterium, and tritium systems are calculated assuming that all pair interactions occur via the atomic triplet potential. The conditions required to obtain this system, including inhibition of recombination through the energetically favorable singlet interaction, are discussed. The internal energy, pressure, and compressibility are calculated applying the Monte Carlo technique with a quantum mechanical variational wavefunction. The system studied consisted of 32 atoms in a box with periodic boundary conditions. Results show that atomic triplet hydrogen and deuterium remain gaseous at 0 K; i.e., the internal energy is positive at all molar volumes considered.

  12. Chemical Hydride Slurry for Hydrogen Production and Storage

    Energy Technology Data Exchange (ETDEWEB)

    McClaine, Andrew W

    2008-09-30

    University have demonstrated the technical viability of the process and have provided data for the cost analyses that have been performed. We also concluded that a carbothermic process could also produce magnesium at acceptable costs. The use of slurry as a medium to carry chemical hydrides has been shown during this project to offer significant advantages for storing, delivering, and distributing hydrogen: • Magnesium hydride slurry is stable for months and pumpable. • The oils of the slurry minimize the contact of oxygen and moisture in the air with the metal hydride in the slurry. Thus reactive chemicals, such as lithium hydride, can be handled safely in the air when encased in the oils of the slurry. • Though magnesium hydride offers an additional safety feature of not reacting readily with water at room temperatures, it does react readily with water at temperatures above the boiling point of water. Thus when hydrogen is needed, the slurry and water are heated until the reaction begins, then the reaction energy provides heat for more slurry and water to be heated. • The reaction system can be relatively small and light and the slurry can be stored in conventional liquid fuel tanks. When transported and stored, the conventional liquid fuel infrastructure can be used. • The particular metal hydride of interest in this project, magnesium hydride, forms benign byproducts, magnesium hydroxide (“Milk of Magnesia”) and magnesium oxide. • We have estimated that a magnesium hydride slurry system (including the mixer device and tanks) could meet the DOE 2010 energy density goals. During the investigation of hydriding techniques, we learned that magnesium hydride in a slurry can also be cycled in a rechargeable fashion. Thus, magnesium hydride slurry can act either as a chemical hydride storage medium or as a rechargeable hydride storage system. Hydrogen can be stored and delivered and then stored again thus significantly reducing the cost of storing and delivering

  13. Hydrogen-air energy storage gas-turbine system

    Science.gov (United States)

    Schastlivtsev, A. I.; Nazarova, O. V.

    2016-02-01

    A hydrogen-air energy storage gas-turbine unit is considered that can be used in both nuclear and centralized power industries. However, it is the most promising when used for power-generating plants based on renewable energy sources (RES). The basic feature of the energy storage system in question is combination of storing the energy in compressed air and hydrogen and oxygen produced by the water electrolysis. Such a process makes the energy storage more flexible, in particular, when applied to RES-based power-generating plants whose generation of power may considerably vary during the course of a day, and also reduces the specific cost of the system by decreasing the required volume of the reservoir. This will allow construction of such systems in any areas independent of the local topography in contrast to the compressed-air energy storage gas-turbine plants, which require large-sized underground reservoirs. It should be noted that, during the energy recovery, the air that arrives from the reservoir is heated by combustion of hydrogen in oxygen, which results in the gas-turbine exhaust gases practically free of substances hazardous to the health and the environment. The results of analysis of a hydrogen-air energy storage gas-turbine system are presented. Its layout and the principle of its operation are described and the basic parameters are computed. The units of the system are analyzed and their costs are assessed; the recovery factor is estimated at more than 60%. According to the obtained results, almost all main components of the hydrogen-air energy storage gas-turbine system are well known at present; therefore, no considerable R&D costs are required. A new component of the system is the H2-O2 combustion chamber; a difficulty in manufacturing it is the necessity of ensuring the combustion of hydrogen in oxygen as complete as possible and preventing formation of nitric oxides.

  14. Development of hydrogen storage systems using sodium alanate

    Energy Technology Data Exchange (ETDEWEB)

    Lozano Martinez, Gustavo Adolfo

    2010-12-06

    In this work, hydrogen storage systems based on sodium alanate were studied, modelled and optimised, using both experimental and theoretical approaches. The experimental approach covered investigations of the material from mg scale up to kg scale in demonstration test tanks, while the theoretical approach discussed modelling and simulation of the hydrogen sorption process in a hydride bed. Both approaches demonstrated the strong effect of heat transfer on the sorption behaviour of the hydride bed and led to feasible methods to improve and optimise the volumetric and gravimetric capacities of hydrogen storage systems. The applied approaches aimed at an optimal integration of sodium alanate material in practical hydrogen storage systems. First, it was experimentally shown that the size of the hydride bed influences the hydrogen sorption behaviour of the material. This is explained by the different temperature profiles that are developed inside the hydride bed during the sorptions. In addition, in a self-constructed cell it was possible to follow the hydrogen sorptions and the developed temperature profiles within the bed. Moreover, the effective thermal conductivity of the material was estimated in-situ in this cell, given very good agreement with reported values of ex-situ measurements. It was demonstrated that the effective thermal conductivity of the hydride bed can be enhanced by the addition of expanded graphite. This enhancement promotes lower temperature peaks during the sorptions due to faster heat conduction through the bed, which in addition allows faster heat transfer during sorption. Looking towards simulations and further evaluations, empirical kinetic models for both hydrogen absorption and desorption of doped sodium alanate were developed. Based on the results of the model, the optimal theoretical pressure-temperature conditions for hydrogen sorptions were determined. A new approach is proposed for the mass balance of the reactions when implementing

  15. Synthesis and Hydrogen Storage in Single-walled Carbon Nanotubes

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Single-walled carbon nanotubes (SWNTs) were synthesized by a hydrogen arc discharge method. A high yield of gram quantity of SWNTs per hour was achieved. Tow kinds of SWNT products: web-like substance and thin films in large slices were obtained. Results of resonant Raman scattering measurements indicate that the SWNTs prepared have a wider diameter distribution and a larger mean diameter. Hydrogen uptake measurements of the two kinds of SWNT samples (both as prepared and pretreated) were carried out using a high pressure volumetric method,respectively. And a hydrogen storage capacity of 4 wt pct could be repeatedly achieved for the suitably pretreated SWNTs, which indicates that SWNTs may be a promising hydrogen storage material.

  16. Electrochemical Hydrogen Storage in a Highly Ordered Mesoporous Carbon

    Directory of Open Access Journals (Sweden)

    Dan eLiu

    2014-10-01

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

  17. Development of hydrogen storage systems using sodium alanate

    Energy Technology Data Exchange (ETDEWEB)

    Lozano Martinez, Gustavo Adolfo

    2010-12-06

    In this work, hydrogen storage systems based on sodium alanate were studied, modelled and optimised, using both experimental and theoretical approaches. The experimental approach covered investigations of the material from mg scale up to kg scale in demonstration test tanks, while the theoretical approach discussed modelling and simulation of the hydrogen sorption process in a hydride bed. Both approaches demonstrated the strong effect of heat transfer on the sorption behaviour of the hydride bed and led to feasible methods to improve and optimise the volumetric and gravimetric capacities of hydrogen storage systems. The applied approaches aimed at an optimal integration of sodium alanate material in practical hydrogen storage systems. First, it was experimentally shown that the size of the hydride bed influences the hydrogen sorption behaviour of the material. This is explained by the different temperature profiles that are developed inside the hydride bed during the sorptions. In addition, in a self-constructed cell it was possible to follow the hydrogen sorptions and the developed temperature profiles within the bed. Moreover, the effective thermal conductivity of the material was estimated in-situ in this cell, given very good agreement with reported values of ex-situ measurements. It was demonstrated that the effective thermal conductivity of the hydride bed can be enhanced by the addition of expanded graphite. This enhancement promotes lower temperature peaks during the sorptions due to faster heat conduction through the bed, which in addition allows faster heat transfer during sorption. Looking towards simulations and further evaluations, empirical kinetic models for both hydrogen absorption and desorption of doped sodium alanate were developed. Based on the results of the model, the optimal theoretical pressure-temperature conditions for hydrogen sorptions were determined. A new approach is proposed for the mass balance of the reactions when implementing

  18. Computational methods to determine the structure of hydrogen storage materials

    Science.gov (United States)

    Mueller, Tim

    2009-03-01

    To understand the mechanisms and thermodynamics of material-based hydrogen storage, it is important to know the structure of the material and the positions of the hydrogen atoms within the material. Because hydrogen can be difficult to resolve experimentally computational research has proven to be a valuable tool to address these problems. We discuss different computational methods for identifying the structure of hydrogen materials and the positions of hydrogen atoms, and we illustrate the methods with specific examples. Through the use of ab-initio molecular dynamics, we identify molecular hydrogen binding sites in the metal-organic framework commonly known as MOF-5 [1]. We present a method to identify the positions of atomic hydrogen in imide structures using a novel type of effective Hamiltonian. We apply this new method to lithium imide (Li2NH), a potentially important hydrogen storage material, and demonstrate that it predicts a new ground state structure [2]. We also present the results of a recent computational study of the room-temperature structure of lithium imide in which we suggest a new structure that reconciles the differences between previous experimental and theoretical studies. [4pt] [1] T. Mueller and G. Ceder, Journal of Physical Chemistry B 109, 17974 (2005). [0pt] [2] T. Mueller and G. Ceder, Physical Review B 74 (2006).

  19. Hydrogen based energy storage for solar energy systems

    Energy Technology Data Exchange (ETDEWEB)

    Vanhanen, J.P.; Hagstroem, M.T.; Lund, P.H. [Helsinki Univ. of Technology, Otaniemi (Finland). Dept. of Engineering Physics and Mathematics; Leppaenen, J.R.; Nieminen, J.P. [Neste Oy (Finland)

    1998-12-31

    Hydrogen based energy storage options for solar energy systems was studied in order to improve their overall performance. A 1 kW photovoltaic hydrogen (PV-H2) pilot-plant and commercial prototype were constructed and a numerical simulation program H2PHOTO for system design and optimisation was developed. Furthermore, a comprehensive understanding of conversion (electrolysers and fuel cells) and storage (metal hydrides) technologies was acquired by the project partners. The PV-H{sub 2} power system provides a self-sufficient solution for applications in remote locations far from electric grids and maintenance services. (orig.)

  20. Development of Mg-based Hydrogen Storage Alloy

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Mg-based hydrogen storage alloys are considered as a promising candidate for hydrogen system because of its lightweight, high storage capacity, low price and rich mineral resources. In detail,we reviewed the preparation and properties of Mg-Ni-based hydrogen storage alloys. All kinds of attempts have been done to improve the hydriding and dehydriding behaviors. It is found that the partial substitution of foreign elements can decrease the hydrogen absorption temperature,especially the substitution of a more electronegative element, such as Al and Mn. Mechanical alloying (MA) and mechanical grinding (MG) are the most effective methods to improve the hydriding/dehydriding kinetics and electrochemical capacity, and decrease the desorption temperature, but the corrosion resistance is so poor that the 80% of maximum capacity is lost within ten cycles. Microencapsulation is a useful measurement for improving the corrosion resistance and electrocatalytic activity. In order to improve the properties of the alloys for practical application, the alloys should have a large number of defects, which give activated sites, subsequently,MA, MG and electroless plating should be used to improve the hydriding/dehydriding kinetics and protect the surface of alloys, respectively. The new composite Mg-based alloys give a new way for the hydrogen storage material to practical application. Furthermore we put forward several problems which will be discussed in future.

  1. Hydrogen storage in Earth's mantle and core

    Science.gov (United States)

    Prewitt, Charles T.

    1994-01-01

    Two different approaches to explaining how hydrogen might be stored in the mantle are illustrated by a number of papers published over the past 25-30 years, but there has been little attempt to provide objective comparisons of the two. One approach invokes the presence in the mantle of dense hydrous magnesium silicates (DHMS) stable at elevated pressures and temperatures. The other involves nominally anhydrous minerals (NAM) that contain hydrogen as a minor constituent on the ppm level. Experimental studies on DHMS indicate these phases may be stable to pressures and temperatures as high at 16 GPa and 1200 C. This temperature is lower than that indicated by a mantle geotherm at 16 GPa, but may be reasonable for a subducting slab. It is possible that other DHMS could be stable to even higher pressures, but little is known about maximum temperature limits. For NAM, small amounts of hydrogen (up to several hundred ppm) have been detected in olivine, orthopyroxene, clinopyroxene, and garnet recovered from xenoliths in kimberlites, eclogites, and alkali basalts; it has been demonstrated that synthetic wadsleyite and perovskite can accommodate significant amounts of hydrogen. A number of problems are associated with each possibility. For NAM originating in the mantle, one would like to assume that the hydrogen measured in samples recovered on Earth's surface was incorporated when the phase-crystallized at high temperatures and pressures, but it could have been introduced during transport to the surface. Major problems for the DHMS proponents are that none of these phases have been found as minerals and little is yet known about their stabilities in systems containing other cations such as Fe, Al, and Ca.

  2. Hydrogen storage and ionic mobility in amide-halide systems.

    Science.gov (United States)

    Anderson, Paul A; Chater, Philip A; Hewett, David R; Slater, Peter R

    2011-01-01

    We report the results of a systematic study of the effect of halides on hydrogen release and uptake in lithium amide and lithium imide, respectively. The reaction of lithium amide and lithium imide with lithium or magnesium chloride, bromide and iodide resulted in a series of amide-halide and imide-halide phases, only two of which have been reported previously. On heating with LiH or MgH2, the amide-halides synthesised all released hydrogen more rapidly than lithium amide itself, accompanied by much reduced, or in some cases undetectable, release of ammonia by-product. The imide-halides produced were found to hydrogenate more rapidly than lithium imide, reforming related amide-halide phases. The work was initiated to test the hypothesis that the incorporation of halide anions might improve the lithium ion conductivity of lithium amide and help maintain high lithium ion mobility at all stages of the de/rehydrogenation process, enhancing the bulk hydrogen storage properties of the system. Preliminary ionic conductivity measurements indicated that the most conducting amide- and imide-halide phases were also the quickest to release hydrogen on heating and to hydrogenate. We conclude that ionic conductivity may be an important parameter in optimising the materials properties of this and other hydrogen storage systems.

  3. Magnesium nanoparticles with transition metal decoration for hydrogen storage

    Science.gov (United States)

    Pasquini, Luca; Callini, Elsa; Brighi, Matteo; Boscherini, Federico; Montone, Amelia; Jensen, Torben R.; Maurizio, Chiara; Vittori Antisari, Marco; Bonetti, Ennio

    2011-11-01

    We report on the hydrogen storage behaviour of Mg nanoparticles (NPs) (size range 100 nm-1 μm) with metal-oxide core-shell morphology synthesized by inert gas condensation and decorated by transition metal (TM) (Pd or Ti) clusters via in situ vacuum deposition. The structure and morphology of the as-prepared and hydrogenated NPs is studied by electron microscopy, X-ray diffraction including in situ experiments and X-ray absorption spectroscopy, in order to investigate the relationships with the hydrogen storage kinetics measured by the volumetric Sieverts method. With both Pd and Ti, the decoration deeply improves the hydrogen sorption properties: previously inert NPs exhibit complete hydrogenation with fast transformation kinetics, good stability and reversible gravimetric capacity that can attain 6 wt%. In the case of Pd-decoration, the occurrence of Mg-Pd alloying is observed at high temperatures and in dependence of the hydrogen pressure conditions. These structural transformations modify both the kinetics and thermodynamics of hydride formation, while Ti-decoration has an effect only on the kinetics. The experimental results are discussed in relation with key issues such as the amount of decoration, the heat of mixing between TM and Mg and the binding energy between TM and hydrogen.

  4. Hydrogen storage by physisorption on Metal Organic Frameworks

    Science.gov (United States)

    Dailly, Anne

    2008-03-01

    Cryo-adsorption systems based on materials with high specific surface areas have the main advantage that they can store and release hydrogen with fast kinetics and high reversibility over multiples cycles. Recently Metal Organic Frameworks (MOFs) have been proposed as promising adsorbents for hydrogen. These crystallographically well organized hybrid solids resulting from the three dimensional connection of inorganic clusters using organic linkers show the largest specific surface areas of all known crystalline solids. The determination of the relationships between physical properties (chemistry, structure, surface area ) of the MOFs and their hydrogen storage behavior is a key step in the characterization of these materials, if they are to be designed for hydrogen storage applications. Excess hydrogen sorption measurements for different MOFs will be presented. We show that maximum hydrogen uptake at high pressure and 77K does not always scale with the specific surface area. A linear correlation trend only apply within a class of specific materials and breaks down when the surface area measurement does not represent the surface sites that are available to H2. The influence of pore size and shape will also be discussed by comparing several MOFs with different structure types. The hydrogen adsorption and binding energy at low pressure are strongly dependent on the metal ions and the pore size.

  5. Technoeconomic analysis of renewable hydrogen production, storage, and detection systems

    Energy Technology Data Exchange (ETDEWEB)

    Mann, M.K.; Spath, P.L.; Kadam, K. [National Renewable Energy Lab., Golden, CO (United States)

    1996-10-01

    Technical and economic feasibility studies of different degrees of completeness and detail have been performed on several projects being funded by the Department of Energy`s Hydrogen Program. Work this year focused on projects at the National Renewable Energy Laboratory, although analyses of projects at other institutions are underway or planned. Highly detailed analyses were completed on a fiber optic hydrogen leak detector and a process to produce hydrogen from biomass via pyrolysis followed by steam reforming of the pyrolysis oil. Less detailed economic assessments of solar and biologically-based hydrogen production processes have been performed and focused on the steps that need to be taken to improve the competitive position of these technologies. Sensitivity analyses were conducted on all analyses to reveal the degree to which the cost results are affected by market changes and technological advances. For hydrogen storage by carbon nanotubes, a survey of the competing storage technologies was made in order to set a baseline for cost goals. A determination of the likelihood of commercialization was made for nearly all systems examined. Hydrogen from biomass via pyrolysis and steam reforming was found to have significant economic potential if a coproduct option could be co-commercialized. Photoelectrochemical hydrogen production may have economic potential, but only if low-cost cells can be modified to split water and to avoid surface oxidation. The use of bacteria to convert the carbon monoxide in biomass syngas to hydrogen was found to be slightly more expensive than the high end of currently commercial hydrogen, although there are significant opportunities to reduce costs. Finally, the cost of installing a fiber-optic chemochromic hydrogen detection system in passenger vehicles was found to be very low and competitive with alternative sensor systems.

  6. A hydrogen storage nanotank: lithium-organic pillared graphite.

    Science.gov (United States)

    Han, Sang Soo; Jang, Seung Soon

    2009-09-28

    From first-principle based grand canonical Monte-Carlo simulations, we propose a new hydrogen storage material, lithium-organic pillared graphite, showing high H2 uptake of 4.0 wt% and 41.9 kg m(-3) at 300 K and 100 bar.

  7. Magnesium Borohydride: From Hydrogen Storage to Magnesium Battery**

    OpenAIRE

    Mohtadi, Rana; Matsui, Masaki; Arthur, Timothy S; Hwang, Son-Jong

    2012-01-01

    Beyond hydrogen storage: The first example of reversible magnesium deposition/stripping onto/from an inorganic salt was seen for a magnesium borohydride electrolyte. High coulombic efficiency of up to 94 % was achieved in dimethoxyethane solvent. This Mg(BH_4)_2 electrolyte was utilized in a rechargeable magnesium battery.

  8. Capacity recovery after storage negatively precharged nickel hydrogen cells

    Science.gov (United States)

    Lowery, John E.

    1993-01-01

    Tests were conducted to investigate the recovery of capacity lost during open circuit storage of negatively precharged nickel hydrogen batteries. Four Eagle Picher RNH-90-3 cells were used in the tests. Recovery procedures and test results are presented in outline and graphic form.

  9. Sodium alanate nanoparticles - linking size to hydrogen storage properties

    NARCIS (Netherlands)

    Baldé, C.P.|info:eu-repo/dai/nl/304833983; Hereijgers, B.P.C.|info:eu-repo/dai/nl/314131116; Bitter, J.H.|info:eu-repo/dai/nl/160581435; de Jong, K.P.|info:eu-repo/dai/nl/06885580X

    2008-01-01

    Important limitations in the application of light metal hydrides for hydrogen storage are slow kinetics and poor reversibility. To alleviate these problems doping and ball-milling are commonly applied, for NaAlH4 leading to particle sizes down to 150 nm. By wet-chemical synthesis we have prepared

  10. Hydrogen storage in metal-organic frameworks: A review

    CSIR Research Space (South Africa)

    Langmi, Henrietta W

    2014-05-01

    Full Text Available Metal-organic frameworks (MOFs) for hydrogen storage have continued to receive intense interest over the past decade. MOFs are a class of organic-inorganic hybrid crystalline materials consisting of metallic moieties that are linked by strong...

  11. Magnesium borohydride: from hydrogen storage to magnesium battery.

    Science.gov (United States)

    Mohtadi, Rana; Matsui, Masaki; Arthur, Timothy S; Hwang, Son-Jong

    2012-09-24

    Beyond hydrogen storage: The first example of reversible magnesium deposition/stripping onto/from an inorganic salt was seen for a magnesium borohydride electrolyte. High coulombic efficiency of up to 94 % was achieved in dimethoxyethane solvent. This Mg(BH(4))(2) electrolyte was utilized in a rechargeable magnesium battery.

  12. Ti-decorated graphitic-C3N4 monolayer: A promising material for hydrogen storage

    Science.gov (United States)

    Zhang, Weibin; Zhang, Zhijun; Zhang, Fuchun; Yang, Woochul

    2016-11-01

    Ti-decorated graphitic carbon nitride (g-C3N4) monolayer as a promising material system for high-capacity hydrogen storage is proposed through density functional theory calculations. The stability and hydrogen adsorption of Ti-decorated g-C3N4 is analyzed by computing the adsorption energy, the charge population, and electronic density of states. The most stable decoration site of Ti atom is the triangular N hole in g-C3N4 with an adsorption energy of -7.58 eV. The large diffusion energy barrier of the adsorbed Ti atom of ∼6.00 eV prohibits the cluster formation of Ti atoms. The electric field induced by electron redistribution of Ti-adsorbed porous g-C3N4 significantly enhanced hydrogen adsorption up to five H2 molecules at each Ti atom with an average adsorption energy of -0.30 eV/H2. The corresponding hydrogen capacity reaches up to 9.70 wt% at 0 K. In addition, the hydrogen capacity is predicted to be 6.30 wt% at 233 K and all adsorbed H2 are released at 393 K according to molecular dynamics simulation. Thus, the Ti-decorated g-C3N4 monolayer is suggested to be a promising material for hydrogen storage suggested by the DOE for commercial applications.

  13. Integrated Refrigeration and Storage for Advanced Liquid Hydrogen Operations

    Science.gov (United States)

    Swanger, A. M.; Notardonato, W. U.; Johnson, W. L.; Tomsik, T. M.

    2016-01-01

    NASA has used liquefied hydrogen (LH2) on a large scale since the beginning of the space program as fuel for the Centaur and Apollo upper stages, and more recently to feed the three space shuttle main engines. The LH2 systems currently in place at the Kennedy Space Center (KSC) launch pads are aging and inefficient compared to the state-of-the-art. Therefore, the need exists to explore advanced technologies and operations that can drive commodity costs down, and provide increased capabilities. The Ground Operations Demonstration Unit for Liquid Hydrogen (GODU-LH2) was developed at KSC to pursue these goals by demonstrating active thermal control of the propellant state by direct removal of heat using a cryocooler. The project has multiple objectives including zero loss storage and transfer, liquefaction of gaseous hydrogen, and densification of liquid hydrogen. The key technology challenge was efficiently integrating the cryogenic refrigerator into the LH2 storage tank. A Linde LR1620 Brayton cycle refrigerator is used to produce up to 900W cooling at 20K, circulating approximately 22 g/s gaseous helium through the hydrogen via approximately 300 m of heat exchanger tubing. The GODU-LH2 system is fully operational, and is currently under test. This paper will discuss the design features of the refrigerator and storage system, as well as the current test results.

  14. Alternative Energetics DC Microgrid With Hydrogen Energy Storage System

    Directory of Open Access Journals (Sweden)

    Zaļeskis Genadijs

    2016-12-01

    Full Text Available This paper is related to an alternative energetics microgrid with a wind generator and a hydrogen energy storage system. The main aim of this research is the development of solutions for effective use of the wind generators in alternative energetics devices, at the same time providing uninterrupted power supply of the critical loads. In this research, it was accepted that the alternative energetics microgrid operates in an autonomous mode and the connection to the conventional power grid is not used. In the case when wind speed is low, the necessary power is provided by the energy storage system, which includes a fuel cell and a tank with stored hydrogen. The theoretical analysis of the storage system operation is made. The possible usage time of the stored hydrogen depends on the available amount of hydrogen and the consumption of the hydrogen by the fuel cell. The consumption, in turn, depends on used fuel cell power. The experimental results suggest that if the wind generator can provide only a part of the needed power, the abiding power can be provided by the fuel cell. In this case, a load filter is necessary to decrease the fuel cell current pulsations.

  15. Hydrogen density measurements using an open-ended microwave cavity.

    Science.gov (United States)

    Wenger, N. C.; Smetana, J.

    1972-01-01

    The density measurement of liquid hydrogen and two-phase mixtures of liquid and gaseous hydrogen is considered. This paper describes a complete prototype system that uses an open-ended microwave cavity for making dynamic density measurements of flowing hydrogen in a transfer line. The theory of operation along with test results for both the single- and two-phase cases are presented and discussed.

  16. Nanostructured Magnesium Hydride for Reversible Hydrogen Storage

    Science.gov (United States)

    de Rango, P.; Chaise, A.; Fruchart, D.; Miraglia, S.; Marty, Ph.

    2013-05-01

    The aim of this work was to develop suitable materials to store hydrogen in a solid state. A systematic investigation of the co-milling process of magnesium hydride with a transition metal was undertaken in order to produce nanostructured and highly reactive powders. The initiating role of the transition metal was evidenced by in situ neutron diffraction experiments. High performances in terms of thermal and mechanical behavior were achieved introducing expanded graphite and compacting the mixture to form composite materials. Absorption and desorption kinetics have been measured versus temperature and H2 pressure.

  17. Condensation and Storage of Hydrogen Cluster Ions

    Science.gov (United States)

    1988-11-01

    CA, October 1987. 30. Casero , R. and Soler, J. M., personal communication. 31. Echt, 0., Multiply Charged Clusters, The Physics and Chemistry of...Physics of a Single Electron or Ion in a Panning Trap," Rev. Mod. Phys., Vol. 58, No. 1, pp. 233-311, January 1986. 35. Mitchell, J., The Role of...Determination of Narrow Mul- tichannel Rcsonances: Application to Hydrogen Molecular Ion (H3)", J. Phys. Chem. 90(16), 3595-9 (1986). 15. Pan , Fu Shih

  18. Superhalogens as Building Blocks of Complex Hydrides for Hydrogen Storage

    CERN Document Server

    Srivastava, Ambrish Kumar

    2016-01-01

    Superhalogens are species whose electron affinity (EA) or vertical detachment energy (VDE) exceed to those of halogen. These species typically consist of a central electropositive atom with electronegative ligands. The EA or VDE of species can be further increased by using superhalogen as ligands, which are termed as hyperhalogen. Having established BH4- as a superhalogen, we have studied BH4-x(BH4)x- (x = 1 to 4) hyperhalogen anions and their Li-complexes, LiBH4-x(BH4)x using density functional theory. The VDE of these anions is larger than that of BH4-, which increases with the increase in the number of peripheral BH4 moieties (x). The hydrogen storage capacity of LiBH4-x(BH4)x complexes is higher but binding energy is smaller than that of LiBH4, a typical complex hydride. The linear correlation between dehydrogenation energy of LiBH4-x(BH4)x complexes and VDE of BH4-x(BH4)x- anions is established. These complexes are found to be thermodynamically stable against dissociation into LiBH4 and borane. This stud...

  19. Characteristic Investigation of Nano-Crystal Hydrogen Storage Alloys

    Institute of Scientific and Technical Information of China (English)

    Xiao Fangming; Huang Lili; Tang Renheng; Lu Qiyun; Peng Neng; Wang Ying

    2004-01-01

    A Ml (NiCoMnA1)5 hydrogen storage alloys was prepared by double-roller rapid quenching.Its microstructure, electrochemically and kinetic characteristic were studied.A uniform crystal phase with CaCu5 structure could be detected by XRD analyses, whose average grain size is 30 ~ 50 nm and the ratio of c/a of nano-crystal hydrogen storage alloy is larger.The hydrogen absorption/desertion p - C isotherms of alloy show that its fiat-performance is perfect and the magnetic stagnant effect is very little.An simulate cell is used for electrochemical measurement.Electrode is 10C, the capacity decreasing rate via the 450 cycles at 7C is less than 20%.

  20. Sodium alanate nanoparticles--linking size to hydrogen storage properties.

    Science.gov (United States)

    Baldé, Cornelis P; Hereijgers, Bart P C; Bitter, Johannes H; de Jong, Krijn P

    2008-05-28

    Important limitations in the application of light metal hydrides for hydrogen storage are slow kinetics and poor reversibility. To alleviate these problems doping and ball-milling are commonly applied, for NaAlH 4 leading to particle sizes down to 150 nm. By wet-chemical synthesis we have prepared carbon nanofiber-supported NaAlH 4 with discrete particle size ranges of 1-10 microm, 19-30 nm, and 2-10 nm. The hydrogen desorption temperatures and activation energies decreased from 186 degrees C and 116 kJ.mol (-1) for the largest particles to 70 degrees C and 58 kJ.mol (-1) for the smallest particles. In addition, decreasing particle sizes lowered the pressures needed for reloading. This reported size-performance correlation for NaAlH 4 may guide hydrogen storage research for a wide range of nanostructured light (metal) hydrides.

  1. Hydrogen based energy storage for energy harvesting systems

    Energy Technology Data Exchange (ETDEWEB)

    Bretthauer, Christian

    2011-07-01

    This thesis presents the development of a novel type of silicon integrated alkaline fuel cell - electrolyser device as on-chip energy storage. The alkaline environment allows not only a facilitated water management compared to state-of-the-art acidic integrated fuel cell systems, it further allows the usage of non-precious metal catalysts and hydrogen storage materials, for the first time. Additionally, a button cell shaped version of the accumulator is presented that incorporates a photoactive SrTiO{sub 3} ceramic for solar recharge. The solar charging mechanism is shown to be inherently self-regulating such that the cell depicts essentially a Micro Hydrogen Economy including energy conversion, energy management and energy storage in a single device. (orig.)

  2. Thermodynamic Analysis of Three Compressed Air Energy Storage Systems: Conventional, Adiabatic, and Hydrogen-Fueled

    Directory of Open Access Journals (Sweden)

    Hossein Safaei

    2017-07-01

    Full Text Available We present analyses of three families of compressed air energy storage (CAES systems: conventional CAES, in which the heat released during air compression is not stored and natural gas is combusted to provide heat during discharge; adiabatic CAES, in which the compression heat is stored; and CAES in which the compression heat is used to assist water electrolysis for hydrogen storage. The latter two methods involve no fossil fuel combustion. We modeled both a low-temperature and a high-temperature electrolysis process for hydrogen production. Adiabatic CAES (A-CAES with physical storage of heat is the most efficient option with an exergy efficiency of 69.5% for energy storage. The exergy efficiency of the conventional CAES system is estimated to be 54.3%. Both high-temperature and low-temperature electrolysis CAES systems result in similar exergy efficiencies (35.6% and 34.2%, partly due to low efficiency of the electrolyzer cell. CAES with high-temperature electrolysis has the highest energy storage density (7.9 kWh per m3 of air storage volume, followed by A-CAES (5.2 kWh/m3. Conventional CAES and CAES with low-temperature electrolysis have similar energy densities of 3.1 kWh/m3.

  3. Hydrogen Storage in Benzene Moiety Decorated Single-Walled Carbon Nanotubes

    Institute of Scientific and Technical Information of China (English)

    ZHANG Bing-Yun; LIANG Qi-Min; SONG Chen; XIA Yue-Yuan; ZHAO Ming-wen; LIU Xiang-Dong; ZHANG Hong-Yu

    2006-01-01

    The hydrogen storage capacity of(5,5)single-walled carbon nanotubes(SWNTs)decorated chemically with benzene moieties is studied by using molecular dynamics simulations(MDSs)and density functional theory(DFT) calculations.It is found that benzene molecules colliding on (5,5) SWNTs at incident energy of 50 eV form very stable configurations of benzene moiety adsorption on the wall of SWNTs.The MDSs indicate that when the benzene moiety decorated(5,5)SWNTs and a pristine(5,5)SWNT are put in a box in which hydrogen molecules are filled to a pressure of~26 atm,the hydrogen storage capacity of the benzene moiety decorated(5,5)SWNT is about 4.7wt.% and that of the pristine (5,5) SwNT is nearly 3.9 wt.%.

  4. Self-assembled air-stable magnesium hydride embedded in 3-D activated carbon for reversible hydrogen storage.

    Science.gov (United States)

    Shinde, S S; Kim, Dong-Hyung; Yu, Jin-Young; Lee, Jung-Ho

    2017-06-01

    The rational design of stable, inexpensive catalysts with excellent hydrogen dynamics and sorption characteristics under realistic environments for reversible hydrogen storage remains a great challenge. Here, we present a simple and scalable strategy to fabricate a monodispersed, air-stable, magnesium hydride embedded in three-dimensional activated carbon with periodic synchronization of transition metals (MHCH). The high surface area, homogeneous distribution of MgH2 nanoparticles, excellent thermal stability, high energy density, steric confinement by carbon, and robust architecture of the catalyst resulted in a noticeable enhancement of the hydrogen storage performance. The resulting MHCH-5 exhibited outstanding hydrogen storage performance, better than that of most reported Mg-based hydrides, with a high storage density of 6.63 wt% H2, a rapid kinetics loading in hydrogenation compared to that of commercial MgH2. The origin of the intrinsic hydrogen thermodynamics was elucidated via solid state (1)H NMR. This work presents a readily scaled-up strategy towards the design of realistic catalysts with superior functionality and stability for applications in reversible hydrogen storage, lithium ion batteries, and fuel cells.

  5. Mg-based compounds for hydrogen and energy storage

    Science.gov (United States)

    Crivello, J.-C.; Denys, R. V.; Dornheim, M.; Felderhoff, M.; Grant, D. M.; Huot, J.; Jensen, T. R.; de Jongh, P.; Latroche, M.; Walker, G. S.; Webb, C. J.; Yartys, V. A.

    2016-02-01

    Magnesium-based alloys attract significant interest as cost-efficient hydrogen storage materials allowing the combination of high gravimetric storage capacity of hydrogen with fast rates of hydrogen uptake and release and pronounced destabilization of the metal-hydrogen bonding in comparison with binary Mg-H systems. In this review, various groups of magnesium compounds are considered, including (1) RE-Mg-Ni hydrides (RE = La, Pr, Nd); (2) Mg alloys with p-elements (X = Si, Ge, Sn, and Al); and (3) magnesium alloys with d-elements (Ti, Fe, Co, Ni, Cu, Zn, Pd). The hydrogenation-disproportionation-desorption-recombination process in the Mg-based alloys (LaMg12, LaMg11Ni) and unusually high-pressure hydrides synthesized at pressures exceeding 100 MPa (MgNi2H3) and stabilized by Ni-H bonding are also discussed. The paper reviews interrelations between the properties of the Mg-based hydrides and p- T conditions of the metal-hydrogen interactions, chemical composition of the initial alloys, their crystal structures, and microstructural state.

  6. Magnesium-Nickel alloy for hydrogen storage produced by melt spinning followed by cold rolling

    National Research Council Canada - National Science Library

    Leiva, Daniel Rodrigo; Costa, Hevlin Cristina de Almeida; Huot, Jacques; Pinheiro, Tiago Santos; Jorge Junior, Alberto Moreira; Ishikawa, Tomaz Toshimi; Botta Filho, Walter José

    2012-01-01

    Severe plastic deformation routes (SPD) have been shown to be attractive for short time preparation of magnesium alloys for hydrogen storage, generating refined microstructures and interesting hydrogen storage properties when compared...

  7. 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

  8. Development of the ReaxFFCBN reactive force field for the improved design of liquid CBN hydrogen storage materials.

    Science.gov (United States)

    Pai, Sung Jin; Yeo, Byung Chul; Han, Sang Soo

    2016-01-21

    Liquid CBN (carbon-boron-nitrogen) hydrogen-storage materials such as 3-methyl-1,2-BN-cyclopentane have the advantage of being easily accessible for use in current liquid-fuel infrastructure. To develop practical liquid CBN hydrogen-storage materials, it is of great importance to understand the reaction pathways of hydrogenation/dehydrogenation in the liquid phase, which are difficult to discover by experimental methods. Herein, we developed a reactive force field (ReaxFFCBN) from quantum mechanical (QM) calculations based on density functional theory for the storage of hydrogen in BN-substituted cyclic hydrocarbon materials. The developed ReaxFFCBN provides similar dehydrogenation pathways and energetics to those predicted by QM calculations. Moreover, molecular dynamics (MD) simulations with the developed ReaxFFCBN can predict the stability and dehydrogenation behavior of various liquid CBN hydrogen-storage materials. Our simulations reveal that a unimolecular dehydrogenation mechanism is preferred in liquid CBN hydrogen-storage materials. However, as the temperature in the simulation increases, the contribution of a bimolecular dehydrogenation mechanism also increases. Moreover, our ReaxFF MD simulations show that in terms of thermal stability and dehydrogenation kinetics, liquid CBN materials with a hexagonal structure are more suitable materials than those with a pentagonal structure. We expect that the developed ReaxFFCBN could be a useful protocol in developing novel liquid CBN hydrogen-storage materials.

  9. Microscale Enhancement of Heat and Mass Transfer for Hydrogen Energy Storage

    Energy Technology Data Exchange (ETDEWEB)

    Drost, Kevin [Oregon State Univ., Corvallis, OR (United States); Jovanovic, Goran [Oregon State Univ., Corvallis, OR (United States); Paul, Brian [Oregon State Univ., Corvallis, OR (United States)

    2015-09-30

    The document summarized the technical progress associated with OSU’s involvement in the Hydrogen Storage Engineering Center of Excellence. OSU focused on the development of microscale enhancement technologies for improving heat and mass transfer in automotive hydrogen storage systems. OSU’s key contributions included the development of an extremely compact microchannel combustion system for discharging hydrogen storage systems and a thermal management system for adsorption based hydrogen storage using microchannel cooling (the Modular Adsorption Tank Insert or MATI).

  10. System level permeability modeling of porous hydrogen storage materials.

    Energy Technology Data Exchange (ETDEWEB)

    Kanouff, Michael P.; Dedrick, Daniel E.; Voskuilen, Tyler (Purdue University, West Lafayette, IN)

    2010-01-01

    A permeability model for hydrogen transport in a porous material is successfully applied to both laboratory-scale and vehicle-scale sodium alanate hydrogen storage systems. The use of a Knudsen number dependent relationship for permeability of the material in conjunction with a constant area fraction channeling model is shown to accurately predict hydrogen flow through the reactors. Generally applicable model parameters were obtained by numerically fitting experimental measurements from reactors of different sizes and aspect ratios. The degree of channeling was experimentally determined from the measurements and found to be 2.08% of total cross-sectional area. Use of this constant area channeling model and the Knudsen dependent Young & Todd permeability model allows for accurate prediction of the hydrogen uptake performance of full-scale sodium alanate and similar metal hydride systems.

  11. Natural diatomite modified as novel hydrogen storage material

    Science.gov (United States)

    Jin, Jiao; Zheng, Chenghui; Yang, Huaming

    2014-03-01

    Natural diatomite, subjected to different modifications, is investigated for hydrogen adsorption capacities at room temperature. An effective metal-modified strategy is developed to disperse platinum (Pt) and palladium (Pd) nanoparticles on the surface of diatomite. Hydrogen adsorption capacity of pristine diatomite (diatomite) is 0.463 wt.% at 2.63 MPa and 298 K, among the highest of the known sorbents, while that of acid-thermally activated diatomite (A-diatomite) could reach up to 0.833 wt.% due to the appropriate pore properties by activation. By incorporation with a small amount of Pt and Pd ( 0.5 wt.%), hydrogen adsorption capacities are enhanced to 0.696 wt.% and 0.980 wt.%, respectively, indicating that activated diatomite shows interesting application in the field of hydrogen storage at room temperature.

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

    Science.gov (United States)

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

    2017-01-10

    An integration of CO2 -free hydrogen generation through methane decomposition coupled with hydrogen/methane separation and chemical hydrogen storage through liquid organic hydrogen carrier (LOHC) systems is demonstrated. A potential, very interesting application is the upgrading of stranded gas, for example, gas from a remote gas field or associated gas from off-shore oil drilling. Stranded gas can be effectively converted in a catalytic process by methane decomposition into solid carbon and a hydrogen/methane mixture that can be directly fed to a hydrogenation unit to load a LOHC with hydrogen. This allows for a straight-forward separation of hydrogen from CH4 and conversion of hydrogen to a hydrogen-rich LOHC material. Both, the hydrogen-rich LOHC material and the generated carbon on metal can easily be transported to destinations of further industrial use by established transport systems, like ships or trucks. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Discovery of novel hydrogen storage materials: an atomic scale computational approach.

    Science.gov (United States)

    Wolverton, C; Siegel, Donald J; Akbarzadeh, A R; Ozoliņš, V

    2008-02-13

    Practical hydrogen storage for mobile applications requires materials that exhibit high hydrogen densities, low decomposition temperatures, and fast kinetics for absorption and desorption. Unfortunately, no reversible materials are currently known that possess all of these attributes. Here we present an overview of our recent efforts aimed at developing a first-principles computational approach to the discovery of novel hydrogen storage materials. Such an approach requires several key capabilities to be effective: (i) accurate prediction of decomposition thermodynamics, (ii) prediction of crystal structures for unknown hydrides, and (iii) prediction of preferred decomposition pathways. We present examples that illustrate each of these three capabilities: (i) prediction of hydriding enthalpies and free energies across a wide range of hydride materials, (ii) prediction of low energy crystal structures for complex hydrides (such as Ca(AlH(4))(2) CaAlH(5), and Li(2)NH), and (iii) predicted decomposition pathways for Li(4)BN(3)H(10) and destabilized systems based on combinations of LiBH(4), Ca(BH(4))(2) and metal hydrides. For the destabilized systems, we propose a set of thermodynamic guidelines to help identify thermodynamically viable reactions. These capabilities have led to the prediction of several novel high density hydrogen storage materials and reactions.

  14. Metalized T graphene: A reversible hydrogen storage material at room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Xiao-Juan; Zhong, Wei, E-mail: csliu@njupt.edu.cn, E-mail: wzhong@nju.edu.cn; Du, You-Wei [Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing 210093 (China); Liu, Chun-Sheng, E-mail: csliu@njupt.edu.cn, E-mail: wzhong@nju.edu.cn [Key Laboratory of Radio Frequency and Micro-Nano Electronics of Jiangsu Province, Nanjing University of Posts and Telecommunications, Nanjing 210023 (China); Zeng, Zhi [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

    2014-09-21

    Lithium (Li)-decorated graphene is a promising hydrogen storage medium due to its high capacity. However, homogeneous mono-layer coating graphene with lithium atoms is metastable and the lithium atoms would cluster on the surface, resulting in the poor reversibility. Using van der Waals-corrected density functional theory, we demonstrated that lithium atoms can be homogeneously dispersed on T graphene due to a nonuniform charge distribution in T graphene and strong hybridizations between the C-2p and Li-2p orbitals. Thus, Li atoms are not likely to form clusters, indicating a good reversible hydrogen storage. Both the polarization mechanism and the orbital hybridizations contribute to the adsorption of hydrogen molecules (storage capacity of 7.7 wt. %) with an optimal adsorption energy of 0.19 eV/H₂. The adsorption/desorption of H₂ at ambient temperature and pressure is also discussed. Our results can serve as a guide in the design of new hydrogen storage materials based on non-hexagonal graphenes.

  15. Glass Bubbles Insulation for Liquid Hydrogen Storage Tanks

    Science.gov (United States)

    Sass, J. P.; SaintCyr, W. W.; Barrett, T. M.; Baumgartner, R. G.; Lott, J. W.; Fesmire, J. E.

    2009-01-01

    A full-scale field application of glass bubbles insulation has been demonstrated in a 218,000 L liquid hydrogen storage tank. This work is the evolution of extensive materials testing, laboratory scale testing, and system studies leading to the use of glass bubbles insulation as a cost efficient and high performance alternative in cryogenic storage tanks of any size. The tank utilized is part of a rocket propulsion test complex at the NASA Stennis Space Center and is a 1960's vintage spherical double wall tank with an evacuated annulus. The original perlite that was removed from the annulus was in pristine condition and showed no signs of deterioration or compaction. Test results show a significant reduction in liquid hydrogen boiloff when compared to recent baseline data prior to removal of the perlite insulation. The data also validates the previous laboratory scale testing (1000 L) and full-scale numerical modeling (3,200,000 L) of boiloff in spherical cryogenic storage tanks. The performance of the tank will continue to be monitored during operation of the tank over the coming years. KEYWORDS: Glass bubble, perlite, insulation, liquid hydrogen, storage tank.

  16. General Motors: Final Report for Hydrogen Storage Engineering Center of Excellence

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Mei [General Motors Company, Warren, MI (United States); Chakraborty, Amlan [General Motors Company, Warren, MI (United States); Hou, Peter [General Motors Company, Warren, MI (United States); Kaisare, Niklet [General Motors Company, Warren, MI (United States); Jorgensen, Scott [General Motors Company, Warren, MI (United States); Kumar, Sudarshan [General Motors Company, Warren, MI (United States); Li, Changpeng [General Motors Company, Warren, MI (United States); Ortmann, Jerome [General Motors Company, Warren, MI (United States); Raju, M. [General Motors Company, Warren, MI (United States); Vadivelu, S. Kumar [General Motors Company, Warren, MI (United States)

    2015-06-30

    As part of the HSECoE team, the GM team built system models and detailed transport models for on-board hydrogen storage systems using metal hydrides and adsorbent materials. Detailed transport models have been developed for both the metal hydride and adsorbent systems with a focus on optimization of heat exchanger designs with the objective of minimizing the heat exchanger mass. We also performed work in collaboration with our partners on storage media structuring and enhancement studies for the metal hydride and adsorbent materials. Since the hydrogen storage materials are generally characterized by low density and low thermal conductivity, we conducted experiments to form pellets and add thermal conductivity enhancers to the storage material, and to improve cycling stability and durability of the metal hydride and adsorbent materials. Refueling of a MOF-5 pellet with cryogenic hydrogen was studied by developing a detailed two-dimensional axisymmetric COMSOL® model of the process. The effects of pellet permeability, thermal conductivity, and thermal conductivity enhancers were investigated. Our key area of focus has been on designing and building a cryo-adsorption vessel for validation of cryo-adsorption models. The 3-L cryogenic tank was used to study the fast fill and discharge dynamics of a cryo-adsorbent storage system, both experimentally and numerically.

  17. Hydrogen storage: a comparison of hydrogen uptake values in carbon nanotubes and modified charcoals

    Science.gov (United States)

    Miao, H.-Y.; Chen, G. R.; Chen, D. Y.; Lue, J. T.; Yu, M. S.

    2010-11-01

    We compared the hydrogen uptake weight percentages (wt.%) of different carbonized materials, before and after modification, for their application in hydrogen storage at room temperature. The Sievert's method [T.P. Blach, E. Mac, A. Gray, J. Alloys Compd. 446-447, 692 (2007)] was used to measure hydrogen uptake values on: (1) Taiwan bamboo charcoal (TBC), (2) white charcoal (WC), (3) single-walled carbon nanotubes (SWCNTs) bought from CBT Inc. and (4) homemade multi-walled carbon nanotubes (MWCNTs) grown on TBC. Modified samples were coated with a metal catalyst by dipping in KOH solutions of different concentrations and then activated in a high temperature oven (800 °C) under the atmospheric pressure of inert gas. The results showed that unmodified SWCNTs had superior uptake but that Taiwan bamboo charcoal, after modification, showed enhanced uptake comparable to the SWCNTs. Due to TBC's low cost and high mass production rate, they will be the key candidate for future hydrogen storage applications.

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

    Science.gov (United States)

    Lai, Lin; Barnard, Amanda S

    2012-02-21

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

  19. Metal-organic frameworks: A new hydrogen storage system

    Science.gov (United States)

    Yaghi, Omar

    2004-03-01

    Metal-organic framework-5 (MOF-5) of composition Zn4O(BDC)3 (BDC = 1,4-benzenedi-carboxylate) with a cubic 3-D extended porous structure was found to be capable of adsorbing hydrogen up to 4.5 weight percent (17.2 hydrogen molecules per formula unit) at 78 K. At room temperature and pressures up to 20 bar this material has a hydrogen storage capacity which increases linearly as a function of the applied pressure up to 1.0 percent by weight at 20 bar. Inelastic Neutron Scattering spectroscopy of the rotational transitions of the adsorbed hydrogen molecules was performed on hydrogen loaded MOF-5 using doses equivalent to four, eight and twenty-four hydrogen molecules per formula unit at 10 K. The spectra show peaks at 10.3 and 12.3 meV that are sharper than those observed for hydrogen in other porous materials, indicating the presence of two well-defined binding sites (termed I and II), which we associate with hydrogen binding to zinc and the BDC linker, respectively. At the highest dose (twenty-four hydrogen molecules), the peak corresponding to site II splits into four peaks, suggesting that higher capacity for hydrogen may be achieved by the use of larger linkers. Indeed, preliminary studies on isoreticular (of the same topology) metal-organic framework-6 and 8 having cyclobutyl and benzene moieties respectively fused to the benzene of MOF-5 gave approximately double and quadruple (2.0 weight percent) the uptake found for MOF-5 at room temperature and 10 bar.

  20. Increasing the density of adsorbed hydrogen with coordinatively unsaturated metal centers in metal-organic frameworks.

    Science.gov (United States)

    Liu, Yun; Kabbour, Houria; Brown, Craig M; Neumann, Dan A; Ahn, Channing C

    2008-05-06

    Storing molecular hydrogen in porous media is one of the promising avenues for mobile hydrogen storage. In order to achieve technologically relevant levels of gravimetric density, the density of adsorbed H2 must be increased beyond levels attained for typical high surface area carbons. Here, we demonstrate a strong correlation between exposed and coordinatively unsaturated metal centers and enhanced hydrogen surface density in many framework structures. We show that the MOF-74 framework structure with open Zn(2+) sites displays the highest surface density for physisorbed hydrogen in framework structures. Isotherm and neutron scattering methods are used to elucidate the strength of the guest-host interactions and atomic-scale bonding of hydrogen in this material. As a metric with which to compare adsorption density with other materials, we define a surface packing density and model the strength of the H(2-)surface interaction required to decrease the H(2)-H(2) distance and to estimate the largest possible surface packing density based on surface physisorption methods.

  1. Ice XVII as a Novel Material for Hydrogen Storage

    Directory of Open Access Journals (Sweden)

    Leonardo del Rosso

    2017-02-01

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

  2. Theoretical study of hydrogen storage in a truncated tetrahedron hydrocarbon

    Science.gov (United States)

    Ishikawa, Shigeru; Yamabe, Tokio

    2017-02-01

    A hydrocarbon molecule, having a truncated tetrahedron shape with a suitable size for the storage of a hydrogen molecule, is designed using quantum chemical methods. The molecule consists of four benzene rings bridged by six vinylene groups at the 1, 3, and 5 carbon positions of each ring, and has a stoichiometry of C36H24. The molecular geometry optimized under T d symmetry by the B3LYP/cc-pVTZ method shows no imaginary frequencies. The size of the molecular cavity, measured by the distance between opposite vinylene groups, is 8.0 Å. The cavity has four openings along each tetrahedron face. The radius of the opening is approximately 2 Å. The system interacting with a hydrogen molecule is optimized by the MP2/cc-pVTZ method. The interaction energy is evaluated by an extrapolation method through increasing the basis set size of the hydrogen molecule from the cc-pVTZ to the cc-pV6Z with counterpoise corrections. The hydrogen molecule enters the opening by overcoming an energy barrier of +730 meV and locates at the center of the cavity with a binding energy of -140 meV. The high barrier arises from the small size of the opening. The binding energy is three times larger than that of a graphite surface and may allow hydrogen storage at milder temperatures and pressures than those required with graphite.

  3. Study of hydrogen vehicle storage in enclosed parking facilities

    Energy Technology Data Exchange (ETDEWEB)

    Belzile, M.A. [Transport Canada, Ottawa, ON (Canada). ecoTECHNOLOGY for Vehicles; Cook, S. [Canadian Hydrogen and Fuel Cell Association, Vancouver, BC (Canada)

    2009-07-01

    This paper reported on a coordinated research program between Transport Canada and Hydrogen and Fuel Cells Canada that examines issues of hydrogen vehicle storage. The ecoTECHNOLOGY for Vehicles (eTV) program focuses on the safety issues of operating and storing hydrogen fuelled vehicles in enclosed parking facilities. The aim of the program is to review existing research, current building standards applied in Canada, standards applied to natural gas vehicles, and standards and recommended practices for the design of fuel cell vehicles. Any potential gaps in safety will be considered in the design of CFD modeling scenarios. Considerations that extend beyond previously performed studies include the effect of Canadian climate on vehicle safety and leak detection equipment, fail-safe mechanism performance, as well as analyses of the frequency of hydrogen leak occurrences and the probability of ignition. The results of the study will facilitate policy makers and authorities in making decisions regarding the storage of hydrogen fuelled vehicles as they become more popular.

  4. Hydrogen storage alternatives - a technological and economic assessment

    Energy Technology Data Exchange (ETDEWEB)

    Pettersson, Joakim; Hjortsberg, Ove [Volvo Teknisk Utveckling AB, Goeteborg (Sweden)

    1999-12-01

    This study reviews state-of-the-art of hydrogen storage alternatives for vehicles. We will also discuss the prospects and estimated cost for industrial production. The study is based on published literature and interviews with active researchers. Among the alternatives commercially available today, we suggest using a moderate-pressure chamber for seasonal stationary energy storage; metal hydride vessels for small stationary units; a roof of high-pressure cylinders for buses, trucks and ferries; cryogenic high-pressure vessels or methanol reformers for cars and tractors; and cryogenic moderate-pressure vessels for aeroplanes. Initial fuel dispensing systems should be designed to offer hydrogen in pressurised form for good fuel economy, but also as cryogenic liquid for occasional needs of extended driving range and as methanol for reformer-equipped vehicles. It is probable that hydrogen can be stored efficiently in adsorbents for use in recyclable hydrogen fuel containers or rechargeable hydrogen vessels operating at ambient temperature and possibly ambient pressure by year 2004, and at reasonable or even low cost by 2010. The most promising alternatives involve various forms of activated graphite nanostructures. Recommendations for further research and standardisation activities are given.

  5. An ultracold neutron storage bottle for UCN density measurements

    CERN Document Server

    Bison, G; Daum, M; Kirch, K; Krempel, J; Lauss, B; Meier, M; Ries, D; Schmidt-Wellenburg, P; Zsigmond, G

    2016-01-01

    We have developed a storage bottle for ultracold neutrons (UCN) in order to measure the UCN density at the beamports of the Paul Scherrer Institute's (PSI) UCN source. This paper describes the design, construction and commissioning of the robust and mobile storage bottle with a volume comparable to typical storage experiments 32 liter e.g. searching for an electric dipole moment of the neutron.

  6. An ultracold neutron storage bottle for UCN density measurements

    Energy Technology Data Exchange (ETDEWEB)

    Bison, G.; Burri, F.; Daum, M. [Paul Scherrer Institute (PSI), CH-5232 Villigen PSI (Switzerland); Kirch, K. [Paul Scherrer Institute (PSI), CH-5232 Villigen PSI (Switzerland); Institute for Particle Physics, Eidgenössische Technische Hochschule (ETH), Zürich (Switzerland); Krempel, J. [Institute for Particle Physics, Eidgenössische Technische Hochschule (ETH), Zürich (Switzerland); Lauss, B., E-mail: bernhard.lauss@psi.ch [Paul Scherrer Institute (PSI), CH-5232 Villigen PSI (Switzerland); Meier, M. [Paul Scherrer Institute (PSI), CH-5232 Villigen PSI (Switzerland); Ries, D., E-mail: dieter.ries@psi.ch [Paul Scherrer Institute (PSI), CH-5232 Villigen PSI (Switzerland); Institute for Particle Physics, Eidgenössische Technische Hochschule (ETH), Zürich (Switzerland); Schmidt-Wellenburg, P.; Zsigmond, G. [Paul Scherrer Institute (PSI), CH-5232 Villigen PSI (Switzerland)

    2016-09-11

    We have developed a storage bottle for ultracold neutrons (UCNs) in order to measure the UCN density at the beamports of the Paul Scherrer Institute's (PSI) UCN source. This paper describes the design, construction and commissioning of the robust and mobile storage bottle with a volume comparable to typical storage experiments (32 L) e.g. searching for an electric dipole moment of the neutron.

  7. Simple and Efficient System for Combined Solar Energy Harvesting and Reversible Hydrogen Storage.

    Science.gov (United States)

    Li, Lu; Mu, Xiaoyue; Liu, Wenbo; Mi, Zetian; Li, Chao-Jun

    2015-06-24

    Solar energy harvesting and hydrogen economy are the two most important green energy endeavors for the future. However, a critical hurdle to the latter is how to safely and densely store and transfer hydrogen. Herein, we developed a reversible hydrogen storage system based on low-cost liquid organic cyclic hydrocarbons at room temperature and atmospheric pressure. A facile switch of hydrogen addition (>97% conversion) and release (>99% conversion) with superior capacity of 7.1 H2 wt % can be quickly achieved over a rationally optimized platinum catalyst with high electron density, simply regulated by dark/light conditions. Furthermore, the photodriven dehydrogenation of cyclic alkanes gave an excellent apparent quantum efficiency of 6.0% under visible light illumination (420-600 nm) without any other energy input, which provides an alternative route to artificial photosynthesis for directly harvesting and storing solar energy in the form of chemical fuel.

  8. Polymeric hydrogen diffusion barrier, high-pressure storage tank so equipped, method of fabricating a storage tank and method of preventing hydrogen diffusion

    Science.gov (United States)

    Lessing, Paul A [Idaho Falls, ID

    2008-07-22

    An electrochemically active hydrogen diffusion barrier which comprises an anode layer, a cathode layer, and an intermediate electrolyte layer, which is conductive to protons and substantially impermeable to hydrogen. A catalytic metal present in or adjacent to the anode layer catalyzes an electrochemical reaction that converts any hydrogen that diffuses through the electrolyte layer to protons and electrons. The protons and electrons are transported to the cathode layer and reacted to form hydrogen. The hydrogen diffusion barrier is applied to a polymeric substrate used in a storage tank to store hydrogen under high pressure. A storage tank equipped with the electrochemically active hydrogen diffusion barrier, a method of fabricating the storage tank, and a method of preventing hydrogen from diffusing out of a storage tank are also disclosed.

  9. Calculation of hydrogen storage capacity of metal-organic and covalent-organic frameworks by spillover

    Science.gov (United States)

    Suri, Mayur; Dornfeld, Matthew; Ganz, Eric

    2009-11-01

    We have used accurate ab initio quantum chemistry calculations together with a simple model to study the hydrogen storage capacity of metal-organic and covalent-organic frameworks by spillover. Recent experiments by Tsao et al. [J. Am. Chem. Soc. 131, 1404 (2009)] {based on an earlier work by Li and Yang [J. Am. Chem. Soc. 128, 8136 (2006)]} have found that IRMOF-8 with bridged Pt catalysts can reversibly store up to 4.7 wt % of hydrogen at room temperature and 100 bar. We have calculated the binding energy for multiple H atoms on model molecules. By counting active storage sites, we predict a saturation excess storage density at room temperature of 5.0 wt % for IRMOF-8. We also predict storage densities of 4.5 wt % for IRMOF-1, 5.4 wt % for MOF-177, 4.5 wt % for COF-1, and 5.7 wt % for IRMOF-15 and IRMOF-16. This suggests that the current experimental H storage results for IRMOF-8 are well optimized. However, for other materials such as MOF-177 and COF-1, the experimental results are not yet optimized, and significantly more H can be stored on these materials. We also find that significant strain will result from shrinkage of the linker molecules as H atoms are loaded onto the crystals.

  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. Hydrogen Storage Needs for Early Motive Fuel Cell Markets

    Energy Technology Data Exchange (ETDEWEB)

    Kurtz, J.; Ainscough, C.; Simpson, L.; Caton, M.

    2012-11-01

    The National Renewable Energy Laboratory's (NREL) objective for this project is to identify performance needs for onboard energy storage of early motive fuel cell markets by working with end users, manufacturers, and experts. The performance needs analysis is combined with a hydrogen storage technology gap analysis to provide the U.S. Department of Energy (DOE) Fuel Cell Technologies Program with information about the needs and gaps that can be used to focus research and development activities that are capable of supporting market growth.

  12. Lifecycle Cost Analysis of Hydrogen Versus Other Technologies for Electrical Energy Storage

    Energy Technology Data Exchange (ETDEWEB)

    Steward, D. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Saur, G. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Penev, M. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Ramsden, T. [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2009-11-01

    This report presents the results of an analysis evaluating the economic viability of hydrogen for medium- to large-scale electrical energy storage applications compared with three other storage technologies: batteries, pumped hydro, and compressed air energy storage (CAES).

  13. Hydrogen storage in Li-doped fullerene-intercalated hexagonal boron nitrogen layers

    Science.gov (United States)

    Cheng, Yi-Han; Zhang, Chuan-Yu; Ren, Juan; Tong, Kai-Yu

    2016-10-01

    New materials for hydrogen storage of Li-doped fullerene (C20, C28, C36, C50, C60, C70)-intercalated hexagonal boron nitrogen ( h-BN) frameworks were designed by using density functional theory (DFT) calculations. First-principles molecular dynamics (MD) simulations showed that the structures of the C n -BN ( n = 20, 28, 36, 50, 60, and 70) frameworks were stable at room temperature. The interlayer distance of the h-BN layers was expanded to 9.96-13.59 Å by the intercalated fullerenes. The hydrogen storage capacities of these three-dimensional (3D) frameworks were studied using grand canonical Monte Carlo (GCMC) simulations. The GCMC results revealed that at 77 K and 100 bar (10 MPa), the C50-BN framework exhibited the highest gravimetric hydrogen uptake of 6.86 wt% and volumetric hydrogen uptake of 58.01 g/L. Thus, the hydrogen uptake of the Li-doped C n -intercalated h-BN frameworks was nearly double that of the non-doped framework at room temperature. Furthermore, the isosteric heats of adsorption were in the range of 10-21 kJ/mol, values that are suitable for adsorbing/desorbing the hydrogen molecules at room temperature. At 193 K (-80 °C) and 100 bar for the Li-doped C50-BN framework, the gravimetric and volumetric uptakes of H2 reached 3.72 wt% and 30.08 g/L, respectively.

  14. Potassium silanide (KSiH3): a reversible hydrogen storage material.

    Science.gov (United States)

    Chotard, Jean-Noël; Tang, Wan Si; Raybaud, Pascal; Janot, Raphaël

    2011-10-24

    KSi silicide can absorb hydrogen to directly form the ternary KSiH(3) hydride. The full structure of α-KSiD(3), which has been solved by using neutron powder diffraction (NPD), shows an unusually short Si-D lengths of 1.47 Å. Through a combination of density functional theory (DFT) calculations and experimental methods, the thermodynamic and structural properties of the KSi/α-KSiH(3) system are determined. This system is able to store 4.3 wt% of hydrogen reversibly within a good P-T window; a 0.1 MPa hydrogen equilibrium pressure can be obtained at around 414 K. The DFT calculations and the measurements of hydrogen equilibrium pressures at different temperatures give similar values for the dehydrogenation enthalpy (≈23 kJ mol(-1) H(2)) and entropy (≈54 J K(-1) mol(-1) H(2)). Owing to its relatively high hydrogen storage capacity and its good thermodynamic values, this KSi/α-KSiH(3) system is a promising candidate for reversible hydrogen storage.

  15. Theory, synthesis and characterization of nano-scale architectures for solid-state hydrogen storage

    Science.gov (United States)

    Miller, Michael A.

    Traditional materials discovery and development techniques have not yet yielded the necessary breakthroughs needed for practical utilization of hydrogen storage. An integrated theoretical-experimental approach to the development of novel materials capable of hydrogen storage under the narrow thermodynamic regime suitable for automotive applications is undertaken. The viability of engineering two-part nano-architectures (heterostructures) to enhance the binding energy between molecular hydrogen and solid-state nanostructures, or to evince dissociation and uptake of hydrogen into the architecture, was explored. First, exceptional hydrogen uptake (7.5 wt.%) was validated in a metal organic framework compound, MOF-177, at low temperature (77 K), and a thermodynamic model for physisorption was established as a benchmark for all such structures. A chemisorptive pathway for enhanced hydrogen uptake (2.2 wt.%) at room temperature in heterostructures of metal-organic-frameworks (MOFs), via a mechanism now referred to as hydrogen spillover, was experimentally validated and further studied through computations. Ab initio computations at the level of Hartree-Fock (HF) and density functional theories (DFT) made it possible to calculate the thermochemical properties of hydrogen uptake in Pt-doped MOF heterostructures, which verified the thermodynamic plausibility of hydrogen spillover. Furthermore, the hydrogen spillover mechanism was successfully elicited from heterostructures consisting of metal-doped carbon materials, which yielded the highest uptake of hydrogen ever measured at room temperature (8.0 wt.%) for carbon-based material. The theoretical foundation was formed for a new way of considering how binding interactions between small molecules, such as dihydrogen, and an engineered surface may be influenced by coupling molecular vibrations with low-frequency surface plasmons in clusters of a metal compound. Finally, new MOF-based heterostructures in which a metal dopant is

  16. Rapid Solidification of AB5 Hydrogen Storage Alloys

    OpenAIRE

    Gulbrandsen-Dahl, Sverre

    2002-01-01

    This doctoral thesis is concerned with rapid solidification of AB5 materials suitable for electrochemical hydrogen storage. The primary objective of the work has been to characterise the microstructure and crystal structure of the produced AB5 materials as a function of the process parameters, e.g. the cooling rate during rapid solidification, the determination of which has been paid special attention to.The thesis is divided in to 6 parts, of which Part I is a literature review, starting wit...

  17. Hydrogen-Oxygen PEM Regenerative Fuel Cell Energy Storage System

    Science.gov (United States)

    Bents, David J.; Scullin, Vincent J.; Chang, Bei-Jiann; Johnson, Donald W.; Garcia, Christopher P.

    2005-01-01

    An introduction to the closed cycle hydrogen-oxygen polymer electrolyte membrane (PEM) regenerative fuel cell (RFC), recently constructed at NASA Glenn Research Center, is presented. Illustrated with explanatory graphics and figures, this report outlines the engineering motivations for the RFC as a solar energy storage device, the system requirements, layout and hardware detail of the RFC unit at NASA Glenn, the construction history, and test experience accumulated to date with this unit.

  18. Advanced chemical hydride-based hydrogen generation/storage system for fuel cell vehicles

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-08-01

    Because of the inherent advantages of high efficiency, environmental acceptability, and high modularity, fuel cells are potentially attractive power supplies. Worldwide concerns over clean environments have revitalized research efforts on developing fuel cell vehicles (FCV). As a result of intensive research efforts, most of the subsystem technology for FCV`s are currently well established. These include: high power density PEM fuel cells, control systems, thermal management technology, and secondary power sources for hybrid operation. For mobile applications, however, supply of hydrogen or fuel for fuel cell operation poses a significant logistic problem. To supply high purity hydrogen for FCV operation, Thermo Power`s Advanced Technology Group is developing an advanced hydrogen storage technology. In this approach, a metal hydride/organic slurry is used as the hydrogen carrier and storage media. At the point of use, high purity hydrogen will be produced by reacting the metal hydride/organic slurry with water. In addition, Thermo Power has conceived the paths for recovery and regeneration of the spent hydride (practically metal hydroxide). The fluid-like nature of the spent hydride/organic slurry will provide a unique opportunity for pumping, transporting, and storing these materials. The final product of the program will be a user-friendly and relatively high energy storage density hydrogen supply system for fuel cell operation. In addition, the spent hydride can relatively easily be collected at the pumping station and regenerated utilizing renewable sources, such as biomass, natural, or coal, at the central processing plants. Therefore, the entire process will be economically favorable and environmentally friendly.

  19. Hydrogen dynamics in Na3AlH6: A combined density functional theory and quasielastic neutron scattering study

    DEFF Research Database (Denmark)

    Voss, Johannes; Shi, Qing; Jacobsen, Hjalte Sylvest

    2007-01-01

    alanate with TiCl3, and here we study hydrogen dynamics in doped and undoped Na3AlH6 using a combination of density functional theory calculations and quasielastic neutron scattering. The hydrogen dynamics is found to be vacancy mediated and dominated by localized jump events, whereas long-range bulk......Understanding the elusive catalytic role of titanium-based additives on the reversible hydrogenation of complex hydrides is an essential step toward developing hydrogen storage materials for the transport sector. Improved bulk diffusion of hydrogen is one of the proposed effects of doping sodium...

  20. Nanostructured Boron Nitride: From Molecular Design to Hydrogen Storage Application

    Directory of Open Access Journals (Sweden)

    Georges Moussa

    2014-07-01

    Full Text Available The spray-pyrolysis of borazine at 1400 °C under nitrogen generates boron nitride (BN nanoparticles (NPs. The as-prepared samples form elementary blocks containing slightly agglomerated NPs with sizes ranging from 55 to 120 nm, a Brunauer-Emmett-Teller (BET-specific surface area of 34.6 m2 g−1 and a helium density of 1.95 g cm−3. They are relatively stable in air below 850 °C in which only oxidation of the NP surface proceeds, whereas under nitrogen, their lower size affects their high temperature thermal behavior in the temperature range of 1450–2000 °C. Nitrogen heat-treated nanostructures have been carefully analyzed using X-ray diffraction, electron microscopy and energy-dispersive X-ray spectroscopy. The high temperature treatment (2000 °C gives hollow-cored BN-NPs that are strongly facetted, and after ball-milling, hollow core-mesoporous shell NPs displaying a BET-specific surface area of 200.5 m2·g−1 and a total pore volume of 0.287 cm3·g−1 were produced. They have been used as host material to confine, then destabilize ammonia borane (AB, thus improving its dehydrogenation properties. The as-formed AB@BN nanocomposites liberated H2 at 40 °C, and H2 is pure in the temperature range 40–80 °C, leading to a safe and practical hydrogen storage composite material.

  1. Vehicular hydrogen storage using lightweight tanks (regenerative fuel cell systems)

    Energy Technology Data Exchange (ETDEWEB)

    Mitlitsky, F; Myers, B; Weisberg, A H

    1999-06-01

    Energy storage systems with extremely high specific energy (>400 Wh/kg) have been designed that use lightweight tankage to contain the gases generated by reversible (unitized) regenerative fuel cells (URFCs). Lawrence Livermore National Laboratory (LLNL) will leverage work for aerospace applications supported by other sponsors (including BMDO, NASA, and USAF) to develop URFC systems for transportation and utility applications. Lightweight tankage is important for primary fuel cell powered vehicles that use on-board storage of hydrogen. Lightweight pressure vessels with state-of-the-art performance factors were designed, and prototypes are being fabricated to meet the DOE 2000 goals (4000 Wh/kg, 12% hydrogen by weight, 700 Wh/liter, and $20/kWh in high volume production). These pressure vessels use technologies that are easily adopted by industrial partners. Advanced liners provide permeation barriers for gas storage and are mandrels for composite overwrap. URFCs are important to the efficient use of hydrogen as a transportation fuel and enabler of renewable energy. H{sub 2}/halogen URFCs may be advantageous for stationary applications whereas H{sub 2}/O{sub 2} or H{sub 2}/air URFCs are advantageous for vehicular applications. URFC research and development is required to improve performance (efficiency), reduce catalyst loading, understand engineering operation, and integrate systems. LLNL has the experimental equipment and advanced URFC membrane electrode assemblies (some with reduced catalyst loading) for evaluating commercial hardware (not funded by DOE in FY1999).

  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. Reversible storage of hydrogen in destabilized LiBH4.

    Science.gov (United States)

    Vajo, John J; Skeith, Sky L; Mertens, Florian

    2005-03-10

    Destabilization of LiBH4 for reversible hydrogen storage has been studied using MgH2 as a destabilizing additive. Mechanically milled mixtures of LiBH4 + (1/2)MgH2 or LiH + (1/2)MgB2 including 2-3 mol % TiCl3 are shown to reversibly store 8-10 wt % hydrogen. Variation of the equilibrium pressure obtained from isotherms measured at 315-400 degrees C indicate that addition of MgH2 lowers the hydrogenation/dehydrogenation enthalpy by 25 kJ/(mol of H2) compared with pure LiBH4. Formation of MgB2 upon dehydrogenation stabilizes the dehydrogenated state and, thereby, destabilizes the LiBH4. Extrapolation of the isotherm data yields a predicted equilibrium pressure of 1 bar at approximately 225 degrees C. However, the kinetics were too slow for direct measurements at these temperatures.

  4. Hydrogen divacancy diffusion: a new perspective on H migration in MgH2 materials for energy storage.

    Science.gov (United States)

    German, Estefania; Gebauer, Ralph

    2017-01-04

    The formation and diffusion of pairs of hydrogen vacancies (divacancies) in magnesium hydride is modeled using density functional theory. Compared to the commonly studied case of single hydrogen vacancies, it is found that divacancies are energetically favored over two isolated vacancies. Also, as a function of the diffusion axis considered, the calculated diffusion barriers of divacancies are either smaller or of comparable magnitude with respect to the diffusion barriers of a single vacancy. These findings shed new light on hydrogen transport in MgH2, which is of crucial importance to understand the kinetics of hydrogen take-up and release in this storage material.

  5. 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.

  6. Sodium hydrazinidoborane: a chemical hydrogen-storage material.

    Science.gov (United States)

    Moury, Romain; Demirci, Umit B; Ichikawa, Takayuki; Filinchuk, Yaroslav; Chiriac, Rodica; van der Lee, Arie; Miele, Philippe

    2013-04-01

    Herein, we present the successful synthesis and full characterization (by (11) B magic-angle-spinning nuclear magnetic resonance spectroscopy, infrared spectroscopy, powder X-ray diffraction) of sodium hydrazinidoborane (NaN2 H3 BH3 , with a hydrogen content of 8.85 wt %), a new material for chemical hydrogen storage. Using lab-prepared pure hydrazine borane (N2 H4 BH3 ) and commercial sodium hydride as precursors, sodium hydrazinidoborane was synthesized by ball-milling at low temperature (-30 °C) under an argon atmosphere. Its thermal stability was assessed by thermogravimetric analysis and differential scanning calorimetry. It was found that under heating sodium hydrazinidoborane starts to liberate hydrogen below 60 °C. Within the range of 60-150 °C, the overall mass loss is as high as 7.6 wt %. Relative to the parent N2 H4 BH3 , sodium hydrazinidoborane shows improved dehydrogenation properties, further confirmed by dehydrogenation experiments under prolonged heating at constant temperatures of 80, 90, 95, 100, and 110 °C. Hence, sodium hydrazinidoborane appears to be more suitable for chemical hydrogen storage than N2 H4 BH3 .

  7. Storage of Renewable Energy by Reduction of CO2 with Hydrogen.

    Science.gov (United States)

    Züttel, Andreas; Mauron, Philippe; Kato, Shunsuke; Callini, Elsa; Holzer, Marco; Huang, Jianmei

    2015-01-01

    The main difference between the past energy economy during the industrialization period which was mainly based on mining of fossil fuels, e.g. coal, oil and methane and the future energy economy based on renewable energy is the requirement for storage of the energy fluxes. Renewable energy, except biomass, appears in time- and location-dependent energy fluxes as heat or electricity upon conversion. Storage and transport of energy requires a high energy density and has to be realized in a closed materials cycle. The hydrogen cycle, i.e. production of hydrogen from water by renewable energy, storage and use of hydrogen in fuel cells, combustion engines or turbines, is a closed cycle. However, the hydrogen density in a storage system is limited to 20 mass% and 150 kg/m(3) which limits the energy density to about half of the energy density in fossil fuels. Introducing CO(2) into the cycle and storing hydrogen by the reduction of CO(2) to hydrocarbons allows renewable energy to be converted into synthetic fuels with the same energy density as fossil fuels. The resulting cycle is a closed cycle (CO(2) neutral) if CO(2) is extracted from the atmosphere. Today's technology allows CO(2) to be reduced either by the Sabatier reaction to methane, by the reversed water gas shift reaction to CO and further reduction of CO by the Fischer-Tropsch synthesis (FTS) to hydrocarbons or over methanol to gasoline. The overall process can only be realized on a very large scale, because the large number of by-products of FTS requires the use of a refinery. Therefore, a well-controlled reaction to a specific product is required for the efficient conversion of renewable energy (electricity) into an easy to store liquid hydrocarbon (fuel). In order to realize a closed hydrocarbon cycle the two major challenges are to extract CO(2) from the atmosphere close to the thermodynamic limit and to reduce CO(2) with hydrogen in a controlled reaction to a specific hydrocarbon. Nanomaterials with

  8. High density data storage principle, technology, and materials

    CERN Document Server

    Zhu, Daoben

    2009-01-01

    The explosive increase in information and the miniaturization of electronic devices demand new recording technologies and materials that combine high density, fast response, long retention time and rewriting capability. As predicted, the current silicon-based computer circuits are reaching their physical limits. Further miniaturization of the electronic components and increase in data storage density are vital for the next generation of IT equipment such as ultra high-speed mobile computing, communication devices and sophisticated sensors. This original book presents a comprehensive introduction to the significant research achievements on high-density data storage from the aspects of recording mechanisms, materials and fabrication technologies, which are promising for overcoming the physical limits of current data storage systems. The book serves as an useful guide for the development of optimized materials, technologies and device structures for future information storage, and will lead readers to the fascin...

  9. The benchmark of gutzwiller density functional theory in hydrogen systems

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Y.; Wang, Cai-Zhuang; Ho, Kai-Ming

    2012-02-23

    We propose an approximate form of the exchange-correlation energy functional for the Gutzwiller density functional theory. It satisfies certain physical constraints in both weak and strong electron correlation limits. We benchmark the Gutzwiller density functional approximation in the hydrogen systems, where the static correlation error is shown to be negligible. The good transferability is demonstrated by applications to the hydrogen molecule and some crystal structures.

  10. The Benchmark of Gutzwiller Density Functional Theory in Hydrogen Systems

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Yongxin; Wang, Cai-Zhuang; Ho, Kai-Ming

    2011-01-13

    We propose an approximate form of the exchange-correlation energy functional for the Gutzwiller density functional theory. It satisfies certain physical constraints in both weak and strong electron correlation limits. We benchmark the Gutzwiller density functional approximation in the hydrogen systems, where the static correlation error is shown to be negligible. The good transferability is demonstrated by applications to the hydrogen molecule and some crystal structures. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012

  11. Hydrogen adsorption and storage on Palladium - functionalized graphene with NH-dopant: A first principles calculation

    Science.gov (United States)

    Faye, Omar; Szpunar, Jerzy A.; Szpunar, Barbara; Beye, Aboubaker Chedikh

    2017-01-01

    We conducted a detailed theoretical investigation of the structural and electronic properties of single and double sided Pd-functionalized graphene and NH-doped Pd-functionalized graphene, which are shown to be efficient materials for hydrogen storage. Nitrene radical dopant was an effective addition required for enhancing the Pd binding on the graphene sheet as well as the storage of hydrogen. We found that up to eight H2 molecules could be adsorbed by double-sided Pd-functionalized graphene at 0 K with an average binding energy in the range 1.315-0.567 eVA gravimetric hydrogen density of 3.622 wt% was reached in the Pd-functionalized graphene on both sides. The binding mechanism of H2 molecules came not only the polarization mechanism between Pd and H atoms but also from the binding of the Pd atoms on the graphene sheet and the orbital hybridization. The most crucial part of our work is measuring the effect of nitrene radical on the H2 adsorption on Pd-functionalized graphene. Our calculations predicted that the addition of NH radicals on Pd-functionalized graphene enhance the binding of H2 molecules, which helps also to avoid the desorption of Pd(H2)n (n = 1-5) complexes from graphene sheet. Our results also predict Pd-functionalized NH-doped graphene is a potential hydrogen storage medium for on-board applications.

  12. 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.

  13. Strategies for increasing hydrogen storage capacity and adsorption energy in MOFs

    Science.gov (United States)

    Yaghi, Omar

    2007-03-01

    Storage of hydrogen in its molecular form is difficult and expensive because it requires employing either extremely high pressures as a gas or very low temperatures as a liquid. Worldwide effort is focused on storage of hydrogen with sufficient efficiency to allow its use in stationary and mobile fueling applications. DOE has set performance targets for on-board automobile storage systems to have densities of 60 mg H2/g (gravimetric) and 45 g H2/L (volumetric) for year 2010. These are system goals. Metal-organic frameworks (MOFs) have recently been identified as promising adsorbents (physisorption) for H2 storage, although little data are available for their adsorption behavior at saturation: a critical parameter for gauging the practicality of any material. This presentation will report adsorption data collected for seven MOF materials at 77 K which leads to saturation at pressures between 25 and 80 bar with uptakes from 2% to 7.5%. Strategies for increasing the adsorption energy of hydrogen in MOFs will also be presented.

  14. Carbon-tuned bonding method significantly enhanced the hydrogen storage of BN-Li complexes.

    Science.gov (United States)

    Deng, Qing-ming; Zhao, Lina; Luo, You-hua; Zhang, Meng; Zhao, Li-xia; Zhao, Yuliang

    2011-11-01

    Through first-principles calculations, we found doping carbon atoms onto BN monolayers (BNC) could significantly strengthen the Li bond on this material. Unlike the weak bond strength between Li atoms and the pristine BN layer, it is observed that Li atoms are strongly hybridized and donate their electrons to the doped substrate, which is responsible for the enhanced binding energy. Li adsorbed on the BNC layer can serve as a high-capacity hydrogen storage medium, without forming clusters, which can be recycled at room temperature. Eight polarized H(2) molecules are attached to two Li atoms with an optimal binding energy of 0.16-0.28 eV/H(2), which results from the electrostatic interaction of the polarized charge of hydrogen molecules with the electric field induced by positive Li atoms. This practical carbon-tuned BN-Li complex can work as a very high-capacity hydrogen storage medium with a gravimetric density of hydrogen of 12.2 wt%, which is much higher than the gravimetric goal of 5.5 wt % hydrogen set by the U.S. Department of Energy for 2015.

  15. Low-Temperature Hydrogen Storage Alloy and Its Application in Ni-MH Battery

    Institute of Scientific and Technical Information of China (English)

    陶明大; 陈云贵; 吴朝玲; 付春艳; 涂铭旌

    2004-01-01

    Rare earth compositions, La, Ce and Pr in Mm(NiCoMnAl)5 hydrogen storage alloy, were arranged by uniform design method. The discharge performances and kinetics parameters including capacity, exchange current density, symmetry factor and hydrogen diffusion coefficient of the alloy at -40 ℃, were tested in standard tri-electrode cell. And linear regression method was used to analyze the effect of rare earth compositions on the performances of hydrogen storage alloys. The results show that the capacities of the alloys are positively correlative to the square of Ce content at -40 ℃ and under both 0.4 and 0.2C rate. The kinetics parameters and hydrogen diffusion coefficient indicate that the low-temperature performances of the alloys are mainly controlled by hydrogen diffusion process, and the surface electrochemical reaction affects the low-temperature performances to a certain extent. The low-temperature discharge capacities of the battery were also tested. The results show excellent low-temperature performances.The battery delivers 69.6% of its room-temperature capacity at -40 ℃ and 0.2C rate, 77.7% at -40 ℃ and 0.4C rate, 59.1% at -45 ℃ and 0.2C rate.

  16. First-principles predictions of potential hydrogen storage materials: Nanosized Ti(core)/Mg(shell) hydrides

    Science.gov (United States)

    Tao, S. X.; Notten, P. H. L.; van Santen, R. A.; Jansen, A. P. J.

    2011-05-01

    MgH2 is one of the most promising hydrogen storage materials. However MgH2 is thermodynamicly too stable, leading to a too high desorption temperature of 300°C at atmospheric pressure, which is a major impediment for practical applications. In this study, aiming to tune the thermodynamic stability of the MgH2, nanosized two-dimensional Mg/Ti/Mg sandwich and three-dimensional Ti(core)/Mg(shell) hydrides have been investigated by using density functional theory calculations. For both structures, four types of hydrogen atoms can be distinguished: on the surface of the Mg (Hsurf), within the Mg (HMg), at the Mg/Ti interface (HMgTi), and within the Ti (HTi). For the dehydrogenation reaction, the hydrogen desorption from the hydride is in the order Hsurf, HMg, HMgTi, HTi. The desorption energy of Hsurf is unexpectedly high. As expected, due to the well-preserved fluorite structure of the partially hydrogenated hydride, the desorption energy of HMg is significantly lower than that of bulk rutile MgH2. The further desorption of HMgTi and HTi becomes more difficult due to the strong Ti-H bonding. We propose that partial hydrogenation without adsorption of Hsurf and partial dehydrogenation without desorption of HMgTi and HTi would keep the fluorite symmetry with its favorable thermodynamics. The reversible hydrogen capacity (HMg) of the Mg/Ti/Mg sandwich structure is low, whereas the reversible hydrogen capacity of the Ti(core)/Mg(shell) is calculated to be reasonable high. Our results predicted Ti(core)/Mg(shell) structures are potential useful materials for hydrogen storage application.

  17. A simulation study on the hydrogen storage properties of fullerene family molecules Cx(x = 56,60,70) and their hydrides

    Science.gov (United States)

    Dai, Wei; Xiao, Ming; Chen, Mu-Qing; Xu, Jia-Jing; Tang, Yong-Jian

    2016-08-01

    Hydrogen storage is a key factor for the application of hydrogen energy. From first principle calculation, we have acquired the energy barrier for hydrogen molecules to pass through the hexagonal rings and pentagonal rings of the fullerene. Then the absorption energy and energy barrier are used to analyze the hydrogen adsorption capacity of the fullerene family and their hydrides. We have also studied the hydrogen storage properties of the fullerene family and their hydrides by grand canonical Monte Carlo method. It is found that the weight density of hydrogen storage at ambient temperature and pressure can reach 7.71 wt.%. The results show that it is difficult for hydrogen to get into the carbon cage of the fullerene because of the high energy barrier, while it is beneficial to destroy the fullerene structure for the processes of absorption and desorption. Meanwhile, fullerene hydrogenation is an effective method to improve the hydrogen storage properties. Our study facilitates the design and synthesis of hydrogen storage materials, and provides theoretical support to improve the hydrogen storage capability for materials.

  18. Accelerating the Understanding and Development of Hydrogen Storage Materials: A Review of the Five-Year Efforts of the Three DOE Hydrogen Storage Materials Centers of Excellence

    Science.gov (United States)

    Klebanoff, Leonard E.; Ott, Kevin C.; Simpson, Lin J.; O'Malley, Kathleen; Stetson, Ned T.

    2014-06-01

    A technical review of the progress achieved in hydrogen storage materials development through the U.S. Department of Energy's (DOE) Fuel Cell Technologies Office and the three Hydrogen Storage Materials Centers of Excellence (CoEs), which ran from 2005 to 2010 is presented. The three CoEs were created to develop reversible metal hydrides, chemical hydrogen storage materials, and high-specific-surface-area (SSA) hydrogen sorbents. For each CoE, the approach taken is specified, key outcomes and accomplishments identified, and recommendations for future work are suggested. The Metal Hydride Center of Excellence addresses work on destabilized hydrides, including the LiBH/Mg2NiH4 system, borohydrides, amides, and alanes; and compares the best materials to DOE targets. The Chemical Hydrogen Storage Center of Excellence discusses the classes of materials studied for chemical hydrogen storage, focusing on ammonia borane and examines the progress in developing efficient regeneration schemes. The Hydrogen Sorption Center of Excellence describes the progress in developing high-SSA sorbents and pathways for developing improved materials capable of achieving DOE targets. The phenomenon of spillover is also observed and its importance to ensuring improved measurements is discussed. Through the five-year effort of the Hydrogen Storage Materials Centers of Excellence, significant progress was achieved in developing and understanding hydrogen storage materials.

  19. Rapid Solidification of AB{sub 5} Hydrogen Storage Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gulbrandsen-Dahl, Sverre

    2002-01-01

    This doctoral thesis is concerned with rapid solidification of AB{sub 5} materials suitable for electrochemical hydrogen storage. The primary objective of the work has been to characterise the microstructure and crystal structure of the produced AB{sub 5} materials as a function of the process parameters, e.g. the cooling rate during rapid solidification, the determination of which has been paid special attention to. The thesis is divided into 6 parts, of which Part I is a literature review, starting with a short presentation of energy storage alternatives. Then a general review of metal hydrides and their utilisation as energy carriers is presented. This part also includes more detailed descriptions of the crystal structure, the chemical composition and the hydrogen storage properties of AB{sub 5} materials. Furthermore, a description of the chill-block melt spinning process and the gas atomisation process is given. In Part II of the thesis a digital photo calorimetric technique has been developed and applied for obtaining in situ temperature measurements during chill-block melt spinning of a Mm(NiCoMnA1){sub 5} hydride forming alloy (Mm = Mischmetal of rare earths). Compared with conventional colour transmission temperature measurements, this technique offers a special advantage in terms of a high temperature resolutional and positional accuracy, which under the prevailing experimental conditions were found to be {+-}29 K and {+-} 0.1 mm, respectively. Moreover, it is shown that the cooling rate in solid state is approximately 2.5 times higher than that observed during solidification, indicating that the solid ribbon stayed in intimate contact with the wheel surface down to very low metal temperatures before the bond was broken. During this contact period the cooling regime shifted from near ideal in the melt puddle to near Newtonian towards the end, when the heat transfer from the solid ribbon to the wheel became the rate controlling step. In Part III of the

  20. Down Select Report of Chemical Hydrogen Storage Materials, Catalysts, and Spent Fuel Regeneration Processes

    Energy Technology Data Exchange (ETDEWEB)

    Ott, Kevin; Linehan, Sue; Lipiecki, Frank; Aardahl, Christopher L.

    2008-08-24

    The DOE Hydrogen Storage Program is focused on identifying and developing viable hydrogen storage systems for onboard vehicular applications. The program funds exploratory research directed at identifying new materials and concepts for storage of hydrogen having high gravimetric and volumetric capacities that have the potential to meet long term technical targets for onboard storage. Approaches currently being examined are reversible metal hydride storage materials, reversible hydrogen sorption systems, and chemical hydrogen storage systems. The latter approach concerns materials that release hydrogen in endothermic or exothermic chemical bond-breaking processes. To regenerate the spent fuels arising from hydrogen release from such materials, chemical processes must be employed. These chemical regeneration processes are envisioned to occur offboard the vehicle.

  1. Systems based on hypo-eutectic Mg–Mg{sub 2}Ni alloys for medium to large scale hydrogen storage and delivery

    Energy Technology Data Exchange (ETDEWEB)

    Moroz, Stephanie, E-mail: stephanie.moroz@hydrexia.com; Tan, Xin Fu; Pierce, Jordan; Greaves, Matthew; Duguid, Andrew; Dumur, Krista; Ng, Jeffrey

    2013-12-15

    Highlights: •High performance, low cost hydrogen storage systems are in development based on a Mg–Mg2Ni alloy. •These systems have higher storage density than compressed gas •They can be filled with hydrogen at low pressure, removing the need for a compressor •The systems can deliver hydrogen at a lower cost per unit of hydrogen delivered than compressed gas. •The metal hydride systems also have significant safety advantages over compressed gas. -- Abstract: Magnesium based metal hydrides have a number of attractive properties for hydrogen storage, particularly the high storage density and the safety benefits of low pressure operation. A hypo-eutectic Mg–Mg{sub 2}Ni alloy has been developed. The material can be produced at a much lower cost than ball-milled materials while achieving a reversible storage of 6.5–7 wt% hydrogen at a rate of reaction that is acceptable for existing industrial applications. This alloy has been employed in a series of increasingly large prototype systems, reaching commercial scale in 2010 with a system storing 22 kg of hydrogen, appropriate for industrial merchant applications. The technology is also under development for larger scale applications such as refueling infrastructure and energy storage. This paper will discuss the potential applications of these systems and their technical and economic comparison to traditional compressed gas hydrogen storage and delivery.

  2. New Pathways and Metrics for Enhanced, Reversible Hydrogen Storage in Boron-Doped Carbon Nanospaces

    Energy Technology Data Exchange (ETDEWEB)

    Pfeifer, Peter [University of Missouri; Wexler, Carlos [University of Missouri; Hawthorne, M. Frederick [University of Missouri; Lee, Mark W. [University of Missouri; Jalistegi, Satish S. [University of Missouri

    2014-08-14

    This project, since its start in 2007—entitled “Networks of boron-doped carbon nanopores for low-pressure reversible hydrogen storage” (2007-10) and “New pathways and metrics for enhanced, reversible hydrogen storage in boron-doped carbon nanospaces” (2010-13)—is in support of the DOE's National Hydrogen Storage Project, as part of the DOE Hydrogen and Fuel Cells Program’s comprehensive efforts to enable the widespread commercialization of hydrogen and fuel cell technologies in diverse sectors of the economy. Hydrogen storage is widely recognized as a critical enabling technology for the successful commercialization and market acceptance of hydrogen powered vehicles. Storing sufficient hydrogen on board a wide range of vehicle platforms, at energy densities comparable to gasoline, without compromising passenger or cargo space, remains an outstanding technical challenge. Of the main three thrust areas in 2007—metal hydrides, chemical hydrogen storage, and sorption-based hydrogen storage—sorption-based storage, i.e., storage of molecular hydrogen by adsorption on high-surface-area materials (carbons, metal-organic frameworks, and other porous organic networks), has emerged as the most promising path toward achieving the 2017 DOE storage targets of 0.055 kg H2/kg system (“5.5 wt%”) and 0.040 kg H2/liter system. The objective of the project is to develop high-surface-area carbon materials that are boron-doped by incorporation of boron into the carbon lattice at the outset, i.e., during the synthesis of the material. The rationale for boron-doping is the prediction that boron atoms in carbon will raise the binding energy of hydro- gen from 4-5 kJ/mol on the undoped surface to 10-14 kJ/mol on a doped surface, and accordingly the hydro- gen storage capacity of the material. The mechanism for the increase in binding energy is electron donation from H2 to electron-deficient B atoms, in the form of sp2 boron-carbon bonds. Our team is proud to have

  3. Multi-criteria evaluation of on-board hydrogen storage technologies using the MACBETH approach

    Energy Technology Data Exchange (ETDEWEB)

    Montignac, F.; Noirot, I.; Chaudourne, S. [CEA, LITEN, Departement des Technologies de l' Hydrogene, 17 rue des Martyrs, 38054 Grenoble (France)

    2009-05-15

    This paper provides some results obtained from the implementation of the MACBETH multi-criteria evaluation approach for the evaluation and comparison of the technical performance of three hydrogen storage technologies: a type IV 70 MPa hydrogen storage system, a cylindrical steel made liquid hydrogen storage system and a solid storage system. The evaluation is carried out considering a 6 kg hydrogen fuel cell vehicle application. Five technical evaluation criteria are taken into account in the analysis: system volume, system mass, refuelling time, hydrogen loss rate and conformability. The outcomes and added-value of this multi-criteria approach are finally discussed. (author)

  4. Preparation and research on poisoning resistant Zr-Co based hydrogen storage alloys

    Institute of Scientific and Technical Information of China (English)

    LI Hualing; WANG Shumao; JIANG Lijun; ZHANG Lidong; LIU Xiaopeng; LI Zhinian

    2008-01-01

    At present,all hydrogen storage alloys are poisoned by hydrogen mixed with CO,CO2,etc,which decreases the hydrogen storage property sharply.Zr-Co based hydrogen storage alloys with good poisoning resistance were prepared by alloying,fluorinating,and electroless plating.The experiment results show that the poisoning resistance of the Zr-Co based alloy was improved remarkably after the treatments.The poisoning resistance mechanism of the Zr-Co based hydrogen storage alloys was analyzed.

  5. Force Density Balance inside the Hydrogen Atom

    CERN Document Server

    Himpsel, F J

    2015-01-01

    Motivated by the long-debated question about the internal stability of the electron, the force densities acting on the charge density of the 1s electron in the H atom are investigated. The problem is mapped onto the canonical formalism for a classical Dirac field coupled to the electric field of an external point charge. An explicit calculation shows that the attractive Coulomb force density is balanced exactly at every point in space by the repulsive confinement force density. The latter requires evaluating the divergence of the stress tensor for the 1s solution of the Dirac equation. Such a local force balance goes beyond the global stability criteria that are usually given for the H atom. This concept is extended to the internal stability of any charged particle by investigating the force densities acting on its surrounding vacuum polarization. At large distances one has to consider only the charge density of virtual electrons and positrons, induced by a point charge in the vacuum of quantum electrodynamic...

  6. Methyllithium-Doped Naphthyl-Containing Conjugated Microporous Polymer with Enhanced Hydrogen Storage Performance.

    Science.gov (United States)

    Xu, Dan; Sun, Lei; Li, Gang; Shang, Jin; Yang, Rui-Xia; Deng, Wei-Qiao

    2016-06-01

    Hydrogen storage is a primary challenge for using hydrogen as a fuel. With ideal hydrogen storage kinetics, the weak binding strength of hydrogen to sorbents is the key barrier to obtain decent hydrogen storage performance. Here, we reported the rational synthesis of a methyllithium-doped naphthyl-containing conjugated microporous polymer with exceptional binding strength of hydrogen to the polymer guided by theoretical simulations. Meanwhile, the experimental results showed that isosteric heat can reach up to 8.4 kJ mol(-1) and the methyllithium-doped naphthyl-containing conjugated microporous polymer exhibited an enhanced hydrogen storage performance with 150 % enhancement compared with its counterpart naphthyl-containing conjugated microporous polymer. These results indicate that this strategy provides a direction for design and synthesis of new materials that meet the US Department of Energy (DOE) hydrogen storage target.

  7. Hydrogenated Microstructure and Its Hydrogenation Properties: A Density Functional Theory Study

    Directory of Open Access Journals (Sweden)

    M. Abdus Salam

    2014-01-01

    Full Text Available The relationship between microstructure and hydrogenation properties of the mixed metals has been investigated via different spectroscopic techniques and the density functional theory (DFT. FESEM and TEM analyses demonstrated the nano-grains of Mg2NiH4 and MgH2 on the hydrogenated microstructure of the adsorbents that were confirmed by using XPS analysis technique. SAED pattern of hydrogenated metals attributed the polycrystalline nature of mixed metals and ensured the hydrogenation to Mg2NiH4 and MgH2 compounds. Flower-like rough surface of mixed metals showed high hydrogenation capacity. The density functional theory (DFT predicted hydrogenation properties; enthalpy and entropy changes of hydrogenated microstructure of MgH2 and Mg2NiH4 are −62.90 kJ/mol, −158 J/mol·K and −52.78 kJ/mol, −166 J/mol·K, respectively. The investigation corresponds to the hydrogen adsorption feasibility, reversible range hydrogenation thermodynamics, and hydrogen desorption energy of 54.72 kJ/mol. DFT predicted IR band for MgH2 and Mg2NiH4 attributed hydrogen saturation on metal surfaces.

  8. Rhodium dihydride (RhH2) with high volumetric hydrogen density.

    Science.gov (United States)

    Li, Bing; Ding, Yang; Kim, Duck Young; Ahuja, Rajeev; Zou, Guangtian; Mao, Ho-Kwang

    2011-11-15

    Materials with very high hydrogen density have attracted considerable interest due to a range of motivations, including the search for chemically precompressed metallic hydrogen and hydrogen storage applications. Using high-pressure synchrotron X-ray diffraction technique and theoretical calculations, we have discovered a new rhodium dihydride (RhH(2)) with high volumetric hydrogen density (163.7 g/L). Compressing rhodium in fluid hydrogen at ambient temperature, the fcc rhodium metal absorbs hydrogen and expands unit-cell volume by two discrete steps to form NaCl-typed fcc rhodium monohydride at 4 GPa and fluorite-typed fcc RhH(2) at 8 GPa. RhH(2) is the first dihydride discovered in the platinum group metals under high pressure. Our low-temperature experiments show that RhH(2) is recoverable after releasing pressure cryogenically to 1 bar and is capable of retaining hydrogen up to 150 K for minutes and 77 K for an indefinite length of time.

  9. Rhodium dihydride (RhH2) with high volumetric hydrogen density

    Science.gov (United States)

    Li, Bing; Ding, Yang; Kim, Duck Young; Ahuja, Rajeev; Zou, Guangtian; Mao, Ho-Kwang

    2011-01-01

    Materials with very high hydrogen density have attracted considerable interest due to a range of motivations, including the search for chemically precompressed metallic hydrogen and hydrogen storage applications. Using high-pressure synchrotron X-ray diffraction technique and theoretical calculations, we have discovered a new rhodium dihydride (RhH2) with high volumetric hydrogen density (163.7 g/L). Compressing rhodium in fluid hydrogen at ambient temperature, the fcc rhodium metal absorbs hydrogen and expands unit-cell volume by two discrete steps to form NaCl-typed fcc rhodium monohydride at 4 GPa and fluorite-typed fcc RhH2 at 8 GPa. RhH2 is the first dihydride discovered in the platinum group metals under high pressure. Our low-temperature experiments show that RhH2 is recoverable after releasing pressure cryogenically to 1 bar and is capable of retaining hydrogen up to 150 K for minutes and 77 K for an indefinite length of time. PMID:22039219

  10. Current research trends and perspectives on materials-based hydrogen storage solutions: A critical review

    CSIR Research Space (South Africa)

    Ren, Jianwei

    2016-01-01

    Full Text Available Effective hydrogen storage solutions have been pursued for decades, and materials-based hydrogen storage is a research frontier of much current interest. Yet, no researched materials to date have come close to the DOE 2020 targets for hydrogen...

  11. Material synthesis and hydrogen storage of palladium-rhodium alloy.

    Energy Technology Data Exchange (ETDEWEB)

    Lavernia, Enrique J. (University of California, Davis); Yang, Nancy Y. C.; Ong, Markus D. (Whithworth University, Spokane, WA)

    2011-08-01

    Pd and Pd alloys are candidate material systems for Tr or H storage. We have actively engaged in material synthesis and studied the material science of hydrogen storage for Pd-Rh alloys. In collaboration with UC Davis, we successfully developed/optimized a supersonic gas atomization system, including its processing parameters, for Pd-Rh-based alloy powders. This optimized system and processing enable us to produce {le} 50-{mu}m powders with suitable metallurgical properties for H-storage R&D. In addition, we studied hydrogen absorption-desorption pressure-composition-temperature (PCT) behavior using these gas-atomized Pd-Rh alloy powders. The study shows that the pressure-composition-temperature (PCT) behavior of Pd-Rh alloys is strongly influenced by its metallurgy. The plateau pressure, slope, and H/metal capacity are highly dependent on alloy composition and its chemical distribution. For the gas-atomized Pd-10 wt% Rh, the absorption plateau pressure is relatively high and consistent. However, the absorption-desorption PCT exhibits a significant hysteresis loop that is not seen from the 30-nm nanopowders produced by chemical precipitation. In addition, we observed that the presence of hydrogen introduces strong lattice strain, plastic deformation, and dislocation networking that lead to material hardening, lattice distortions, and volume expansion. The above observations suggest that the H-induced dislocation networking is responsible for the hysteresis loop seen in the current atomized Pd-10 wt% Rh powders. This conclusion is consistent with the hypothesis suggested by Flanagan and others (Ref 1) that plastic deformation or dislocations control the hysteresis loop.

  12. Kinetics with deactivation of methylcyclohexane dehydrogenation for hydrogen energy storage

    Energy Technology Data Exchange (ETDEWEB)

    Maria, G.; Marin, A.; Wyss, C.; Mueller, S.; Newson, E. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    The methylcyclohexane dehydrogenation step to recycle toluene and release hydrogen is being studied as part of a hydrogen energy storage project. The reaction is performed catalytically in a fixed bed reactor, and the efficiency of this step significantly determines overall system economics. The fresh catalyst kinetics and the deactivation of the catalyst by coke play an important role in the process analysis. The main reaction kinetics were determined from isothermal experiments using a parameter sensitivity analysis for model discrimination. An activation energy for the main reaction of 220{+-}11 kJ/mol was obtained from a two-parameter model. From non-isothermal deactivation in PC-controlled integral reactors, an activation energy for deactivation of 160 kJ/mol was estimated. A model for catalyst coke content of 3-17 weight% was compared with experimental data. (author) 3 figs., 6 refs.

  13. An experiment to evaluate liquid hydrogen storage in space

    Science.gov (United States)

    Eberhardt, R. N.; Fester, D. A.; Johns, W. A.; Marino, J. S.

    1981-01-01

    The design and verification of a Cryogenic Fluid Management Experiment for orbital operation on the Shuttle is described. The experiment will furnish engineering data to establish design criteria for storage and supply of cryogenic fluids, mainly hydrogen, for use in low gravity environments. The apparatus comprises an LAD (liquid acquisition device) and a TVS (thermodynamic vent system). The hydrogen will be either vented or forced out by injected helium and the flow rates will be monitored. The data will be compared with ground-based simulations to determine optimal flow rates for the pressurizing gas and the release of the cryogenic fluid. It is noted that tests on a one-g, one-third size LAD system are under way.

  14. Energy Dense, Lighweight, Durable, Systems for Storage and Delivery of Hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Jacky Pruez; Samir Shoukry; Gergis William; Thomas Evans; Hermann Alcazar

    2008-12-31

    The work presented in this report summarizes the current state-of-the-art in on-board storage on compressed gaseous hydrogen as well as the development of analysis tools, methods, and theoretical data for devising high performance design configurations for hydrogen storage. The state-of-the-art in the area of compressed hydrogen storage reveals that the current configuration of the hydrogen storage tank is a seamless cylindrical part with two end domes. The tank is composed of an aluminum liner overwrapped with carbon fibers. Such a configuration was proved to sustain internal pressures up to 350 bars (5,000 psi). Finite-element stress analyses were performed on filament-wound hydrogen storage cylindrical tanks under the effect of internal pressure of 700 bars (10,000 psi). Tank deformations, stress fields, and intensities induced at the tank wall were examined. The results indicated that the aluminum liner can not sustain such a high pressure and initiate the tank failure. Thus, hydrogen tanks ought to be built entirely out of composite materials based on carbon fibers or other innovative composite materials. A spherical hydrogen storage tank was suggested within the scope of this project. A stress reduction was achieved by this change of the tank geometry, which allows for increasing the amount of the stored hydrogen and storage energy density. The finite element modeling of both cylindrical and spherical tank design configurations indicate that the formation of stress concentration zones in the vicinity of the valve inlet as well as the presence of high shear stresses in this area. Therefore, it is highly recommended to tailor the tank wall design to be thicker in this region and tapered to the required thickness in the rest of the tank shell. Innovative layout configurations of multiple tanks for enhanced conformability in limited space have been proposed and theoretically modeled using 3D finite element analysis. Optimum tailoring of fiber orientations and lay

  15. Inorganic Chemistry in Hydrogen Storage and Biomass Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Thorn, David [Los Alamos National Laboratory

    2012-06-13

    Making or breaking C-H, B-H, C-C bonds has been at the core of catalysis for many years. Making or breaking these bonds to store or recover energy presents us with fresh challenges, including how to catalyze these transformations in molecular systems that are 'tuned' to minimize energy loss and in molecular and material systems present in biomass. This talk will discuss some challenging transformations in chemical hydrogen storage, and some aspects of the inorganic chemistry we are studying in the development of catalysts for biomass utilization.

  16. EMR modelling of a hydrogen-based electrical energy storage

    Science.gov (United States)

    Agbli, K. S.; Hissel, D.; Péra, M.-C.; Doumbia, I.

    2011-05-01

    This paper deals with multi-physics modelling of the stationary system. This modelling is the first step to reach the fuel cell system dimensioning aim pursued. Besides this modelling approach based on the stationary energetic system, the novelty in this paper is both the new approach of the photovoltaic EMR modelling and the EMR of the hydrogen storage process. The granular modelling approach is used to model each component of the system. Considering a stand alone PEM fuel cell system, hydrogen is expected to be produced and stored on the spot from renewable energy (photovoltaic) in order to satisfy the fuel availability. In fact, to develop a generic and modular model, energetic macroscopic representation (EMR) is used as graphical modelling tool. Allowing to be easily grasped by the experts even not necessarily gotten used to the modelling formalism, EMR is helpful to model the multi-domains energetic chain. The solar energy through solar module is converted in electrical energy; part of this energy is transformed in chemical energy (hydrogen) thanks to an electrolyser. Then the hydrogen is compressed into a tank across a storage system. The latter part of the solar module energy is stored as electrical energy within supercapacitor or lead-acid battery. Using the modularity feature of the EMR, the whole system is modelled entity by entity; afterwards by putting them together the overall system has been reconstructed. According to the scale effect of the system entities, some simulation and/or experimental results are given. Given to the different aims which are pursued in the sustainable energy framework like prediction, control and optimisation, EMR modelling approach is a reliable option for the energy management in real time of energetic system in macroscopic point of view.

  17. Design and synthesis of vanadium hydrazide gels for Kubas-type hydrogen adsorption: a new class of hydrogen storage materials.

    Science.gov (United States)

    Hoang, Tuan K A; Webb, Michael I; Mai, Hung V; Hamaed, Ahmad; Walsby, Charles J; Trudeau, Michel; Antonelli, David M

    2010-08-25

    In this paper we demonstrate that the Kubas interaction, a nondissociative form of weak hydrogen chemisorption with binding enthalpies in the ideal 20-30 kJ/mol range for room-temperature hydrogen storage, can be exploited in the design of a new class of hydrogen storage materials which avoid the shortcomings of hydrides and physisorpion materials. This was accomplished through the synthesis of novel vanadium hydrazide gels that use low-coordinate V centers as the principal Kubas H(2) binding sites with only a negligible contribution from physisorption. Materials were synthesized at vanadium-to-hydrazine ratios of 4:3, 1:1, 1:1.5, and 1:2 and characterized by X-ray powder diffraction, X-ray photoelectron spectroscopy, nitrogen adsorption, elemental analysis, infrared spectroscopy, and electron paramagnetic resonance spectroscopy. The material with the highest capacity possesses an excess reversible storage of 4.04 wt % at 77 K and 85 bar, corresponding to a true volumetric adsorption of 80 kg H(2)/m(3) and an excess volumetric adsorption of 60.01 kg/m(3). These values are in the range of the ultimate U.S. Department of Energy goal for volumetric density (70 kg/m(3)) as well as the best physisorption material studied to date (49 kg H(2)/m(3) for MOF-177). This material also displays a surprisingly high volumetric density of 23.2 kg H(2)/m(3) at room temperature and 85 bar--roughly 3 times higher than that of compressed gas and approaching the DOE 2010 goal of 28 kg H(2)/m(3). These materials possess linear isotherms and enthalpies that rise on coverage and have little or 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 many hydrogen test vehicles, to dramatically increase the amount of hydrogen stored and therefore the range of any vehicle.

  18. Development of a Practical Hydrogen Storage System Based on Liquid Organic Hydrogen Carriers and a Homogeneous Catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, Craig [Hawaii Hydrogen Carriers, LLC, Honolulu, HI (United States); Brayton, Daniel [Hawaii Hydrogen Carriers, LLC, Honolulu, HI (United States); Jorgensen, Scott W. [General Motors, LLC, Warren, MI (United States). Research and Development Center. Chemical and Material Systems Lab.; Hou, Peter [General Motors, LLC, Warren, MI (United States). Research and Development Center. Chemical and Material Systems Lab.

    2017-03-24

    The objectives of this project were: 1) optimize a hydrogen storage media based on LOC/homogeneous pincer catalyst (carried out at Hawaii Hydrogen Carriers, LLC) and 2) develop space, mass and energy efficient tank and reactor system to house and release hydrogen from the media (carried out at General Motor Research Center).

  19. Using first principles calculations to identify new destabilized metal hydride reactions for reversible hydrogen storage.

    Science.gov (United States)

    Alapati, Sudhakar V; Karl Johnson, J; Sholl, David S

    2007-03-28

    Hydrides of period 2 and 3 elements are promising candidates for hydrogen storage, but typically have heats of reaction that are too high to be of use for fuel cell vehicles. Recent experimental work has focused on destabilizing metal hydrides through mixing metal hydrides with other compounds. A very large number of possible destabilized metal hydride reaction schemes exist, but the thermodynamic data required to assess the enthalpies of these reactions are not available in many cases. We have used density functional theory calculations to predict the reaction enthalpies for more than 300 destabilization reactions that have not previously been reported. The large majority of these reactions are predicted not to be useful for reversible hydrogen storage, having calculated reaction enthalpies that are either too high or too low, and hence these reactions need not be investigated experimentally. Our calculations also identify multiple promising reactions that have large enough hydrogen storage capacities to be useful in practical applications and have reaction thermodynamics that appear to be suitable for use in fuel cell vehicles and are therefore promising candidates for experimental work.

  20. Magnesium-Nickel alloy for hydrogen storage produced by melt spinning followed by cold rolling

    Directory of Open Access Journals (Sweden)

    Daniel Rodrigo Leiva

    2012-10-01

    Full Text Available Severe plastic deformation routes (SPD have been shown to be attractive for short time preparation of magnesium alloys for hydrogen storage, generating refined microstructures and interesting hydrogen storage properties when compared to the same materials processed by high-energy ball milling (HEBM, but with the benefit of higher air resistance. In this study, we present results of a new processing route for Mg alloys for hydrogen storage: rapid solidification followed by cold work. A Mg97Ni3 alloy was processed by melt spinning (MS and by extensive cold rolling (CR. Submitting Mg97Ni3 ribbons between steel plates to cold rolling has shown to be a viable procedure, producing a thin cold welded foil, with little material waste. The as-processed material presents a high level of [002] fiber texture, a sub microcrystalline grain structure with a high density of defects, and also a fine dispersion of Mg2Ni nanoparticles. This refined microstructure allied to the developed texture resulted in enhanced activation and H-sorption kinetics properties.

  1. Hydrogen storage: Lattice dynamics of orthorhombic NaMgH{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Bouhadda, Youcef, E-mail: bouhadda@yahoo.co [Unite de Recherche Appliquee en Energies Renouvelables, BP 88 Ghardaia (Algeria); Fenineche, Noureddine [LERMPS, UTBM, Belfort (France); Boudouma, Youcef [Faculte de Physique, USTHB, Algiers (Algeria)

    2011-02-15

    In this work, we investigate the structural, dynamic and thermodynamic properties of NaMgH{sub 3}, devoted for hydrogen storage. Density functional theory using pseudopotential methods and generalized gradient approximation has been used. A good agreement between the calculated structural parameters and the experimental data was found. A linear-response approach for the density functional theory is used in order to derive the Born effective charge tensors, the dielectric permittivity tensors, the phonon frequencies at the center of the Brillouin zone, the phonon-dispersion curves and the corresponding density of states for NaMgH{sub 3} material. The obtained phonon frequencies at the zone center ({Gamma} point) for the Raman-active and infrared-active modes are analyzed. Thermodynamic functions using the phonon density of states are also calculated.

  2. Hydrogen Absorption Thermodynamic Properties of Rare Earth Based Hydrogen Storage Alloy in Benzene

    Institute of Scientific and Technical Information of China (English)

    蔡官明; 陈长聘; 安越; 徐国华; 陈立新; 王启东

    2002-01-01

    The hydriding/dehydriding thermodynamic properties of the slurry system formed by suspending La-rich mischmetal nickel hydrogen storage alloy (MlNi5) in Benzene (C6H6) were investigated. The pressure-composition isotherms for both the alloy powder and the slurry suspended with MlNi5 were measured at several temperatures(10, 20, 30, 40 ℃). The standard enthalpy of formation ΔH° and standard entropy of formation ΔS° for the alloy powder with and without benzene were determined respectively. The experimental results show that the values of ΔH° and ΔS° for the hydriding reaction of hydrogen storage alloy (MlNi5) of the slurry system and the gas-solid system are all very close.

  3. Low-Cost Precursors to Novel Hydrogen Storage Materials

    Energy Technology Data Exchange (ETDEWEB)

    Suzanne W. Linehan; Arthur A. Chin; Nathan T. Allen; Robert Butterick; Nathan T. Kendall; I. Leo Klawiter; Francis J. Lipiecki; Dean M. Millar; David C. Molzahn; Samuel J. November; Puja Jain; Sara Nadeau; Scott Mancroni

    2010-12-31

    From 2005 to 2010, The Dow Chemical Company (formerly Rohm and Haas Company) was a member of the Department of Energy Center of Excellence on Chemical Hydrogen Storage, which conducted research to identify and develop chemical hydrogen storage materials having the potential to achieve DOE performance targets established for on-board vehicular application. In collaboration with Center co-leads Los Alamos National Laboratory (LANL) and Pacific Northwest National Laboratory (PNNL), and other Center partners, Dow's efforts were directed towards defining and evaluating novel chemistries for producing chemical hydrides and processes for spent fuel regeneration. In Phase 1 of this project, emphasis was placed on sodium borohydride (NaBH{sub 4}), long considered a strong candidate for hydrogen storage because of its high hydrogen storage capacity, well characterized hydrogen release chemistry, safety, and functionality. Various chemical pathways for regenerating NaBH{sub 4} from spent sodium borate solution were investigated, with the objective of meeting the 2010/2015 DOE targets of $2-3/gal gasoline equivalent at the pump ($2-3/kg H{sub 2}) for on-board hydrogen storage systems and an overall 60% energy efficiency. With the September 2007 No-Go decision for NaBH{sub 4} as an on-board hydrogen storage medium, focus was shifted to ammonia borane (AB) for on-board hydrogen storage and delivery. However, NaBH{sub 4} is a key building block to most boron-based fuels, and the ability to produce NaBH{sub 4} in an energy-efficient, cost-effective, and environmentally sound manner is critical to the viability of AB, as well as many leading materials under consideration by the Metal Hydride Center of Excellence. Therefore, in Phase 2, research continued towards identifying and developing a single low-cost NaBH4 synthetic route for cost-efficient AB first fill, and conducting baseline cost estimates for first fill and regenerated AB using a variety of synthetic routes. This

  4. Materials Engineering and Scale Up of Fluid Phase Chemical Hydrogen Storage for Automotive Applications

    Energy Technology Data Exchange (ETDEWEB)

    Westman, Matthew P.; Chun, Jaehun; Choi, Young Joon; Ronnebro, Ewa

    2016-01-25

    Among candidates for chemical hydrogen storage in PEM fuel cell automotive applications, ammonia borane (AB, NH3BH3) is considered to be one of the most promising materials due to its high hydrogen content of 14-16 wt% below 200°C and high volumetric density. In our previous paper, we selected AB in silicone oil as a role model for a slurry hydrogen storage system. Materials engineering properties were optimized by increasing solid loading by using an ultra-sonic process. In this paper, we proceeded to scale up to liter size batches with solid loadings up to 50 wt% (8 wt% H2) with dynamic viscosities less than 1000cP at 25°C. The use of a non-ionic surfactant, Triton X-15, shows significant promise in controlling the level of foaming produced during the thermal dehydrogenation of the AB. Through the development of new and efficient processing techniques and the ability to adequately control the foaming, stable homogenous slurries of high solid loading have been demonstrated as a viable hydrogen delivery source.

  5. A comparative study for Hydrogen storage in metal decorated graphyne nanotubes and graphyne monolayers

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Jinlian [Department of Physics, Xiangtan University, Xiangtan, Hunan 411105 (China); Guo, Yanhua [College of Materials Science and Engineering, Nanjing Tech University, Nanjing 210009 (China); Zhang, Yun; Tang, Yingru [Department of Physics, Xiangtan University, Xiangtan, Hunan 411105 (China); Cao, Juexian, E-mail: jxcao@xtu.edu.cn [Department of Physics, Xiangtan University, Xiangtan, Hunan 411105 (China); Beijing Computational Science Research Center, Beijing 100084 (China)

    2015-11-15

    A comparative study for hydrogen storage in metal decorated graphyne nanotubes and graphyne monolayers has been investigated within the framework of first-principle calculations. Our results show that the binding energies of Li, Ca, Sc, Ti on graphyne nanotubes are stronger than that on graphyne monolayers. Such strong binding would prevent the formation of metal clusters on graphyne nanotubes. From the charge transfer and partial density of states, it is found that the curvature effect of nanotubes plays an important role for the strong binding strength of metal on graphyne nanotubes. And the hydrogen storage capacity is 4.82 wt%, 5.08 wt%, 4.88 wt%, 4.76 wt% for Li, Ca, Sc, Ti decorated graphyne nanotubes that promise a potential material for storing hydrogen. - Graphical abstract: Metal atoms (Li, Ca, Sc and Ti) can strongly bind to graphyne nanotubes to avoid the formation of metal clusters, and a capacity of Ca@graphyne nanotube is 5.08 wt% which is close to the requirement of DOE in 2015. Twenty-four hydrogen molecules absorb to Ti-decorated graphyne nanotube. - Highlights: • The binding strength for metal on graphyne nanotubes is much stronger than that on γ-graphyne monolayer. • Metal atoms can strongly bind to the curving triangle acetylenes rings to avoid the formation of metal clusters. • A capacity of Ca@graphyne nanotube is 5.08 wt% which is close to the requirement of DOE in 2015.

  6. Hydrogen storage in the iron series of porous Prussian blue analogues

    Energy Technology Data Exchange (ETDEWEB)

    Krap, C.P.; Zamora, B. [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada del IPN, Unidad Legaria (Mexico); Balmaseda, J. [Departamento de Polimeros, Instituto de Investigacion en Materiales, UNAM (Mexico); Reguera, E. [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada del IPN, Unidad Legaria (Mexico); Instituto de Ciencia y Tecnologia de Materiales, Universidad de La Habana, 10400 La Habana, Ciudad Habana (Cuba)

    2010-10-15

    The hydrogen storage has been studied in several series of porous Prussian blue analogues but not in the iron one, T{sub 3}[Fe(CN){sub 6}]{sub 2} with T = Mn, Co, Ni, Cu, Zn, Cd. In this contribution the study of the H{sub 2} adsorption in that series of porous solids is discussed. For comparison, the H{sub 2} adsorption isotherm in Fe{sub 4}[Fe(CN){sub 6}]{sub 3} was also recorded. All the samples to be studied were characterized from energy-dispersed spectroscopy, X-ray diffraction, infrared, Moessbauer, and thermogravimetric data. The cavity volume to be occupied by the hydrogen molecule was estimated from the amount of water molecules found within the cavity. The obtained value for the cavity volume was then used to calculate the density for the hydrogen storage within the cavity. The obtained density values remain below the value corresponding to its liquid state (71 g/L). (author)

  7. Enhancing the interaction strength and capacities of hydrogen storage via surface adsorption

    Science.gov (United States)

    Brown, Craig

    2008-03-01

    Storing Hydrogen molecules in porous media based on a physisorption mechanism is one possible approach to reach the US Department of Energy targets for on-board hydrogen storage. Although the storage capacities of metal-organic frameworks (MOFs) have progressed significantly over recent years, some technological obstacles pose challenges for their future improvement. These include the generally low H2 adsorption enthalpy limiting room temperature applications and the lack of understanding of surface packing density hindering the efficient improvement of H2 adsorption uptake. To improve the H2 affinity in MOFs, our previous work has shown that the coordinatively unsaturated metal centers (CUMCs) can greatly enhance the H2 binding strength. Our current study of MOF-74 will be presented, showing that its open Zn^2+ ions bind H2 strongly and are identified as being responsible for the large initial H2 adsorption enthalpy of 8.4 kJ/mol. In all, there are four H2 adsorption sites in MOF-74 identified by neutron powder diffraction. These four hydrogen adsorption sites are closely packed in MOF-74 and form a one dimensional nanoscale tube structure. We also demonstrate an interesting correlation that MOFs with CUMCs generally show larger surface packing densities than that of other MOFs without CUMCs. The implications of this will be addressed.

  8. Review on processing of metal-organic framework (MOF) materials towards system integration for hydrogen storage

    CSIR Research Space (South Africa)

    Ren, Jianwei

    2014-09-01

    Full Text Available Development of safe and effective hydrogen storage systems is critical for further implementation of hydrogen in fuel cell technologies. Amongst the various approaches to improve the performance of such systems, porous materials-based adsorptive...

  9. Hydrogen storage in Pd nanocrystals covered with a metal-organic framework.

    Science.gov (United States)

    Li, Guangqin; Kobayashi, Hirokazu; Taylor, Jared M; Ikeda, Ryuichi; Kubota, Yoshiki; Kato, Kenichi; Takata, Masaki; Yamamoto, Tomokazu; Toh, Shoichi; Matsumura, Syo; Kitagawa, Hiroshi

    2014-08-01

    Hydrogen is an essential component in many industrial processes. As a result of the recent increase in the development of shale gas, steam reforming of shale gas has received considerable attention as a major source of H2, and the more efficient use of hydrogen is strongly demanded. Palladium is well known as a hydrogen-storage metal and an effective catalyst for reactions related to hydrogen in a variety of industrial processes. Here, we present remarkably enhanced capacity and speed of hydrogen storage in Pd nanocrystals covered with the metal-organic framework (MOF) HKUST-1 (copper(II) 1,3,5-benzenetricarboxylate). The Pd nanocrystals covered with the MOF have twice the storage capacity of the bare Pd nanocrystals. The significantly enhanced hydrogen storage capacity was confirmed by hydrogen pressure-composition isotherms and solid-state deuterium nuclear magnetic resonance measurements. The speed of hydrogen absorption in the Pd nanocrystals is also enhanced by the MOF coating.

  10. Hydrogen storage in Pd nanocrystals covered with a metal-organic framework

    Science.gov (United States)

    Li, Guangqin; Kobayashi, Hirokazu; Taylor, Jared M.; Ikeda, Ryuichi; Kubota, Yoshiki; Kato, Kenichi; Takata, Masaki; Yamamoto, Tomokazu; Toh, Shoichi; Matsumura, Syo; Kitagawa, Hiroshi

    2014-08-01

    Hydrogen is an essential component in many industrial processes. As a result of the recent increase in the development of shale gas, steam reforming of shale gas has received considerable attention as a major source of H2, and the more efficient use of hydrogen is strongly demanded. Palladium is well known as a hydrogen-storage metal and an effective catalyst for reactions related to hydrogen in a variety of industrial processes. Here, we present remarkably enhanced capacity and speed of hydrogen storage in Pd nanocrystals covered with the metal-organic framework (MOF) HKUST-1 (copper(II) 1,3,5-benzenetricarboxylate). The Pd nanocrystals covered with the MOF have twice the storage capacity of the bare Pd nanocrystals. The significantly enhanced hydrogen storage capacity was confirmed by hydrogen pressure-composition isotherms and solid-state deuterium nuclear magnetic resonance measurements. The speed of hydrogen absorption in the Pd nanocrystals is also enhanced by the MOF coating.

  11. Design and building of a new experimental setup for testing hydrogen storage materials

    DEFF Research Database (Denmark)

    Andreasen, A.

    2005-01-01

    For hydrogen to become the future energy carrier a suitable way of storing hydrogen is needed, especially if hydrogen is to be used in mobile applications such as cars. To test potential hydrogen storage materials with respect to capacity, kinetics andthermodynamics the Materials Research...

  12. Hydrogen storage of intrinsic and vanadium-decorated Mg nanostructures

    Science.gov (United States)

    He, Yuping; Zhao, Yiping

    2009-11-01

    MgH2 is very attractive for future solid state H-storage applications, due to its lightweight, low cost, and high H-storage capacity of 7.6 wt%. However, its practical application is limited by its high thermodynamic stability and sluggish reaction kinetics, which could be improved by making nanostructures with large surface-to-volume ratios to enhance surface reaction activity and by adding an appropriate catalyst to accelerate H-sorption kinetics. In this work, an oblique angle deposition (OAD) or oblique angle co-deposition (OACD) technique has been used to sculpture Mg nanostructures and incorporate a nanocatalyst. For an intrinsic Mg film and Mg nanoblade array by OAD on Ti coated Si, the hydrogenation results show that the nanoblades start to absorb H2 at 523 Khydrogenation behavior. In addition, by OACD, a 2.25 at% V decorated Mg nanoblade array has been fabricated. It can absorb and desorb H2 rapidly at T > 500 K after activation by one hydrogenation cycling, with low H-absorption activation energy of 35.0 ± 1.2 kJ/mol H2 and desorption activation energy of 65.0 ± 0.3 kJ/mol H2. The improved H-sorption kinetics is attributed to both the catalytic effect of the V coating and the unique nanoblade morphology.

  13. Reversible Hydrogen Storage Materials – Structure, Chemistry, and Electronic Structure

    Energy Technology Data Exchange (ETDEWEB)

    Robertson, Ian M. [University of Wisconsin-Madison; Johnson, Duane D. [Ames Lab., Iowa

    2014-06-21

    To understand the processes involved in the uptake and release of hydrogen from candidate light-weight metal hydride storage systems, a combination of materials characterization techniques and first principle calculation methods have been employed. In addition to conventional microstructural characterization in the transmission electron microscope, which provides projected information about the through thickness microstructure, electron tomography methods were employed to determine the three-dimensional spatial distribution of catalyst species for select systems both before and after dehydrogenation. Catalyst species identification as well as compositional analysis of the storage material before and after hydrogen charging and discharging was performed using a combination of energy dispersive spectroscopy, EDS, and electron energy loss spectroscopy, EELS. The characterization effort was coupled with first-principles, electronic-structure and thermodynamic techniques to predict and assess meta-stable and stable phases, reaction pathways, and thermodynamic and kinetic barriers. Systems studied included:NaAlH4, CaH2/CaB6 and Ca(BH4)2, MgH2/MgB2, Ni-Catalyzed Magnesium Hydride, TiH2-Catalyzed Magnesium Hydride, LiBH4, Aluminum-based systems and Aluminum

  14. Hydrogen storage and delivery: the carbon dioxide - formic acid couple.

    Science.gov (United States)

    Laurenczy, Gábor

    2011-01-01

    Carbon dioxide and the carbonates, the available natural C1 sources, can be easily hydrogenated into formic acid and formates in water; the rate of this reduction strongly depends on the pH of the solution. This reaction is catalysed by ruthenium(II) pre-catalyst complexes with a large variety of water-soluble phosphine ligands; high conversions and turnover numbers have been realised. Although ruthenium(II) is predominant in these reactions, the iron(II) - tris[(2-diphenylphosphino)-ethyl]phosphine (PP3) complex is also active, showing a new perspective to use abundant and inexpensive iron-based compounds in the CO2 reduction. In the catalytic hydrogenation cycles the in situ formed metal hydride complexes play a key role, their structures with several other intermediates have been proven by multinuclear NMR spectroscopy. In the other hand safe and convenient hydrogen storage and supply is the fundamental question for the further development of the hydrogen economy; and carbon dioxide has been recognised to be a viable H2 vector. Formic acid--containing 4.4 weight % of H2, that is 53 g hydrogen per litre--is suitable for H2 storage; we have shown that in aqueous solutions it can be selectively decomposed into CO-free (CO < 10 ppm) CO2 and H2. The reaction takes place under mild experimental conditions and it is able to generate high pressure H2 (up to 600 bar). The cleavage of HCOOH is catalysed by several hydrophilic Ru(II) phosphine complexes (meta-trisulfonated triphenylphosphine, mTPPTS, being the most efficient one), either in homogeneous systems or as immobilised catalysts. We have also shown that the iron(II)--hydrido tris[(2-diphenylphosphino)ethyl]phosphine complex catalyses with an exceptionally high rate and efficiency (turnover frequency, TOF = 9425 h(-1)mol(-1); turnover number, TON = 92400) the formic acid cleavage, in environmentally friendly propylene carbonate solution, opening the way to use cheap, non-noble metal based catalysts for this

  15. Si-decorated graphene: A promising media for molecular hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Ganji, M. Darvish, E-mail: ganji_md@yahoo.com; Emami, S.N.; Khosravi, A.; Abbasi, M.

    2015-03-30

    Highlights: • The adsorption of H{sub 2} on Si-decorated graphene was studied by DFT-LDA method. • Chemisorbed Si atom exhibits as a potential positive center for H{sub 2} adsorption. • BSSE correction and spin polarization affect slightly on the binding energies estimation. • Si atom can absorb up to eight H{sub 2}molecules with the gravimetric density of 15 wt%. • The binding properties for the adsorbed H{sub 2}molecules are typical for the physisorption. - Abstract: The adsorption of hydrogen molecules (H{sub 2}) on Si-decorated graphene was studied by using density functional theory calculations based on local density approximation (LDA). The accuracy of our method was validated by high level quantum chemical calculation result at MP2 level of theory for similar system. Our calculations show that Si-decorated graphene has high adsorption energy, high net charge transfer values and small connecting distances to graphene surface due to chemisorption. This makes adsorbed Si on the surface as a positive center which can adsorb considerably H{sub 2} molecules. We find that up to 16 H{sub 2} molecules can stably bind to two Si atoms on both side of the graphene sheet with slightly desirable adsorption energy which indicates that the resultant system facilitates the hydrogen desorption at near ambient conditions for practical applications. This newly developed Si decorated graphene with its hydrogen storage capacity of about 15 wt% would be an excellent candidate for hydrogen storage mediums.

  16. Modellization of Metal Hydride Canister for Hydrogen Storage

    Directory of Open Access Journals (Sweden)

    Rocio Maceiras

    2015-06-01

    Full Text Available Hydrogen shows very interesting features for its use on-board applications as fuel cell vehicles. This paper presents the modelling of a tank with a metal hydride alloy for on-board applications, which provides good performance under ambient conditions. The metal hydride contained in the tank is Ti0.98Zr0.02V0.43Fe0.09Cr0.05Mn1.5. A two-dimensional model has been performed for the refuelling process (absorption and the discharge process (desorption. For that, individual models of mass balance, energy balance, reaction kinetics and behaviour of hydrogen gas has been modelled. The model has been developed under Matlab / Simulink© environment. Finally, individual models have been integrated into a global model, and simulated under ambient conditions. With the aim to analyse the temperature influence on the state of charge and filling and emptying time, other simulations were performed at different temperatures. The obtained results allow to conclude that this alloy offers a good behaviour with the discharge process under normal ambient conditions. Keywords: Hydrogen storage; metal hydrides; fuel cell; simulation; board applications

  17. Assessment of feasible strategies for seasonal underground hydrogen storage in a saline aquifer

    Science.gov (United States)

    Sáinz-García, Alvaro; Abarca, Elena; Rubí, Violeta; Grandia, Fidel

    2017-04-01

    Renewable energies are unsteady, which results in temporary mismatches between demand and supply. The conversion of surplus energy to hydrogen and its storage in geological formations is one option to balance this energy gap. This study evaluates the feasibility of seasonal storage of hydrogen produced from wind power in Castilla-León region (northern Spain). A 3D multiphase numerical model is used to test different extraction well configurations during three annual injection-production cycles in a saline aquifer. Results demonstrate that underground hydrogen storage in saline aquifers can be operated with reasonable recovery ratios. A maximum hydrogen recovery ratio of 78%, which represents a global energy efficiency of 30%, has been estimated. Hydrogen upconing emerges as the major risk on saline aquifer storage. However, shallow extraction wells can minimize its effects. Steeply dipping geological structures are key for an efficient hydrogen storage.

  18. Diffusion and elastoplastic analyses of polycrystalline magnesium for solid state hydrogen storage application

    Science.gov (United States)

    Mathakari, Amey

    Solid state hydrogen storage can be an effective way of storing hydrogen as an energy source for mobile applications. The advantage includes high energy density, low setup cost, safe operation, abundance of metal hydrides, low maintenance, etc. Magnesium is one of the potential metals for the application. However, sluggish desorption kinetics of magnesium requiring relatively high operation temperature has hindered its practical realization. In the present study, an attempt is made to analyze effects of grain boundary on diffusion and diffusion induced stresses in polycrystalline magnesium. Grain boundaries in nanostructured magnesium can undergo severe plastic deformations during the hydrogen insertion and desertion processes. Such boundaries are characterized by excess grain boundary energy, presence of long range elastic stresses and enhanced pathways for hydrogen transport. Finite element models have been developed for the analyses by realizing the different physical and chemical parameters of magnesium grains and grain boundaries. The study provides convincing evidence of the importance of the presence of grain boundaries. The results may help find ways to improve hydrogen charging/discharging efficiency by means of plastic deformations in grain boundaries while maintaining the overall structural integrity of host magnesium.

  19. Templated synthesis of nickel nanoparticles: Toward heterostructured nanocomposites for efficient hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, Nicholas Cole [Iowa State Univ., Ames, IA (United States)

    2013-01-01

    The world is currently facing an energy and environmental crisis for which new technologies are needed. Development of cost-competitive materials for catalysis and hydrogen storage on-board motor vehicles is crucial to lead subsequent generations into a more sustainable and energy independent future. This thesis presents work toward the scalable synthesis of bimetallic heterostructures that can enable hydrogen to compete with carbonaceous fuels by meeting the necessary gravimetric and volumetric energy densities and by enhancing hydrogen sorption/desorption kinetics near ambient temperatures and pressures. Utilizing the well-known phenomenon of hydrogen spillover, these bimetallic heterostructures could work by lowering the activation energy for hydrogenation and dehydrogenation of metals. Herein, we report a novel method for the scalable synthesis of silica templated zero-valent nickel particles (Ni⊂SiO2) that hold promise for the synthesis of nickel nanorods for use in bimetallic heterostructures for hydrogen storage. Our synthesis proceeds by chemical reduction of a nickel-hydrazine complex with sodium borohydride followed by calcination under hydrogen gas to yield silica encapsulated nickel particles. Transmission electron microscopy and powder X-ray diffraction were used to characterize the general morphology of the resultant nanocapsules as well as the crystalline phases of the incorporated Ni0 nanocrystals. The structures display strong magnetic behavior at room temperature and preliminary data suggests nickel particle size can be controlled by varying the amount of nickel precursor used in the synthesis. Calcination under different environments and TEM analysis provides evidence for an atomic migration mechanism of particle formation. Ni⊂SiO2 nanocapsules were used as seeds to induce heterogeneous nucleation and subsequent growth within the nanocapsule via electroless nickel plating. Nickel nanoparticle growth occurs

  20. Impact of hydrogen onboard storage technologies on the performance of hydrogen fuelled vehicles: A techno-economic well-to-wheel assessment

    NARCIS (Netherlands)

    de Wit, M.P.|info:eu-repo/dai/nl/310873754; Faaij, A.P.C.|info:eu-repo/dai/nl/10685903X

    2007-01-01

    Hydrogen onboard storage technologies form an important factor in the overall performance of hydrogen fuelled transportation, both energetically and economically. Particularly, advanced storage options such as metal hydrides and carbon nanotubes are often hinted favourable to conventional, liquid

  1. Impact of hydrogen onboard storage technologies on the performance of hydrogen fuelled vehicles: A techno-economic well-to-wheel assessment

    NARCIS (Netherlands)

    de Wit, M.P.; Faaij, A.P.C.

    2007-01-01

    Hydrogen onboard storage technologies form an important factor in the overall performance of hydrogen fuelled transportation, both energetically and economically. Particularly, advanced storage options such as metal hydrides and carbon nanotubes are often hinted favourable to conventional, liquid an

  2. Applied hydrogen storage research and development: A perspective from the U.S. Department of Energy

    Energy Technology Data Exchange (ETDEWEB)

    O’Malley, Kathleen [SRA International, Inc., Fairfax, VA 22033 (United States); Ordaz, Grace; Adams, Jesse; Randolph, Katie [U.S. Department of Energy, 1000 Independence Ave., SW, EE-3F, Washington, DC 20585 (United States); Ahn, Channing C. [U.S. Department of Energy, 1000 Independence Ave., SW, EE-3F, Washington, DC 20585 (United States); California Institute of Technology, Pasadena, CA 91125 (United States); Stetson, Ned T., E-mail: Ned.Stetson@ee.doe.gov [U.S. Department of Energy, 1000 Independence Ave., SW, EE-3F, Washington, DC 20585 (United States)

    2015-10-05

    Highlights: • Overview of U.S. DOE-supported hydrogen storage technology development efforts. • Physical and materials-based strategy for developing hydrogen storage systems. • Materials requirements for automotive storage systems. • Key R&D developments. - Abstract: To enable the wide-spread commercialization of hydrogen fuel cell technologies, the U.S. Department of Energy, through the Office of Energy Efficiency and Renewable Energy’s Fuel Cell Technology Office, maintains a comprehensive portfolio of R&D activities to develop advanced hydrogen storage technologies. The primary focus of the Hydrogen Storage Program is development of technologies to meet the challenging onboard storage requirements for hydrogen fuel cell electric vehicles (FCEVs) to meet vehicle performance that consumers have come to expect. Performance targets have also been established for materials handling equipment (e.g., forklifts) and low-power, portable fuel cell applications. With the imminent release of commercial FCEVs by automobile manufacturers in regional markets, a dual strategy is being pursued to (a) lower the cost and improve performance of high-pressure compressed hydrogen storage systems while (b) continuing efforts on advanced storage technologies that have potential to surpass the performance of ambient compressed hydrogen storage.

  3. Recent advances in additive-enhanced magnesium hydride for hydrogen storage

    Directory of Open Access Journals (Sweden)

    Ying Wang

    2017-02-01

    Full Text Available The discovery of new hydrogen storage materials has greatly driven the entire hydrogen storage technology forward in the past decades. Magnesium hydride, which has a high hydrogen capacity and low cost, has been considered as one of the most promising candidates for hydrogen storage. Unfortunately, extensive efforts are still needed to better improve its hydrogen storage performance, since MgH2 suffers from high operation temperature, poor dehydrogenation kinetic, and unsatisfactory thermal management. In this paper, we present an overview of recent progress in improving the hydrogenation/de-hydrogenation performance of MgH2, with special emphases on the additive-enhanced MgH2 composites. Other widely used strategies (e. g. alloying, nanoscaling, nanoconfinement in tuning the kinetics and thermodynamics of MgH2 are also presented. A realistic perspective regarding to the challenges and opportunities for further researches in MgH2 is proposed.

  4. Systems and methods for facilitating hydrogen storage using naturally occurring nanostructure assemblies

    Science.gov (United States)

    Fliermans; , Carl B.

    2012-08-07

    Some or all of the needs above can be addressed by embodiments of the invention. According to embodiments of the invention, systems and methods for facilitating hydrogen storage using naturally occurring nanostructure assemblies can be implemented. In one embodiment, a method for storing hydrogen can be provided. The method can include providing diatoms comprising diatomaceous earth or diatoms from a predefined culture. In addition, the method can include heating the diatoms in a sealed environment in the presence of at least one of titanium, a transition metal, or a noble metal to provide a porous hydrogen storage medium. Furthermore, the method can include exposing the porous hydrogen storage medium to hydrogen. In addition, the method can include storing at least a portion of the hydrogen in the porous hydrogen storage medium.

  5. Sorbent Material Property Requirements for On-Board Hydrogen Storage for Automotive Fuel Cell Systems.

    Energy Technology Data Exchange (ETDEWEB)

    Ahluwalia, R. K.; Peng, J-K; Hua, T. Q.

    2015-05-25

    Material properties required for on-board hydrogen storage in cryogenic sorbents for use with automotive polymer electrolyte membrane (PEM) fuel cell systems are discussed. Models are formulated for physical, thermodynamic and transport properties, and for the dynamics of H-2 refueling and discharge from a sorbent bed. A conceptual storage configuration with in-bed heat exchanger tubes, a Type-3 containment vessel, vacuum insulation and requisite balance-of-plant components is developed to determine the peak excess sorption capacity and differential enthalpy of adsorption for 5.5 wt% system gravimetric capacity and 55% well-to-tank (WTT) efficiency. The analysis also determines the bulk density to which the material must be compacted for the storage system to reach 40 g.L-1 volumetric capacity. Thermal transport properties and heat transfer enhancement methods are analyzed to estimate the material thermal conductivity needed to achieve 1.5 kg.min(-1) H-2 refueling rate. Operating temperatures and pressures are determined for 55% WTT efficiency and 95% usable H-2. Needs for further improvements in material properties are analyzed that would allow reduction of storage pressure to 50 bar from 100 bar, elevation of storage temperature to 175-200 K from 150 K, and increase of WTT efficiency to 57.5% or higher.

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

    Science.gov (United States)

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

    2014-07-23

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

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

    Science.gov (United States)

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

    2011-01-14

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

  8. Solid-state thermolysis of ammonia borane and related materials for high-capacity hydrogen storage.

    Science.gov (United States)

    Wang, Ping

    2012-04-21

    Ammonia borane (NH(3)BH(3), AB) is a unique molecular crystal containing an intriguingly high density of hydrogen. In the past several years, AB has received extensive attention as a promising hydrogen storage medium. Several strategies have been successfully developed for promoting H(2) release and for suppressing the evolution of volatile by-products from the solid-state thermolysis of AB. Several potentially cost-effective and energy-efficient routes for regenerating AB from the spent fuels have been experimentally demonstrated. These remarkable technological advances offer a promising prospect of using AB-based materials as viable H(2) carriers for on-board application. In this perspective, the recent progresses in promoting H(2) release from the solid-state thermolysis of AB and in developing regeneration technologies are briefly reviewed.

  9. High-Temperature Hydrogen Storage of Multiple Molecules: Theoretical Insights from Metalated Catechols.

    Science.gov (United States)

    Tsivion, Ehud; Veccham, Srimukh Prasad; Head-Gordon, Martin

    2017-01-18

    Insertion of open metal sites (OMS) into metal-organic frameworks (MOFs) is a promising strategy for preparation of physical adsorbents that enable H2 storage at room temperature. Density functional theory (DFT) calculations are reported on a promising paradigm for adsorption of multiple hydrogen molecules to a single OMS attached to an MOF linker via a catechol or thiocatechol. The interactions between adsorbed H2 and the OMS are characterized with special attention to their degrees of freedom and thermal properties. By combining the present calculations with experimental data, some of these materials are predicted to have usable capacities close to the Department of Energy (DOE) 2020 target of 40 gr L(-1) marking them as important synthetic targets. Surprisingly, calculations suggest that a Ca-catechol OMS retains the ability to bind up to two hydrogens even in the presence of residual solvent. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    Science.gov (United States)

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

    2016-10-01

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

  11. Charge storage characteristics of hydrogenated nanocrystalline silicon film prepared by rapid thermal annealing

    Institute of Scientific and Technical Information of China (English)

    Li Zhi-Gang; Long Shi-Bing; Liu Ming; Wang Cong-Shun; Jia Rui; Lv Jin; Shi Yi

    2007-01-01

    The early stages of hydrogenated nanocrystalline silicon (nc-Si:H) films deposited by plasma-enhanced chemical vapour deposition were characterized by atomic force microscopy.To increase the density of nanocrystals in the nc-Si:H films,the films were annealed by rapid thermal annealing (RTA) at different temperatures and then analysed by Raman spectroscopy.It Was found that the recrystallization process of the film Was optimal at around 1000℃.The effects of different RTA conditions on charge storage were characterized by capacitance-voltage measurement.Experimental results show that nc-Si:H films obtained by RTA have good charge storage characteristics for nonvolatile memory.

  12. Hydrogen Energy Storage: Grid and Transportation Services (Technical Report)

    Energy Technology Data Exchange (ETDEWEB)

    2015-02-01

    Proceedings of an expert workshop convened by the U.S. Department of Energy and Industry Canada, and hosted by the National Renewable Energy Laboratory and the California Air Resources Board, May 14-15, 2014, in Sacramento, California, to address the topic of hydrogen energy storage (HES). HES systems provide multiple opportunities to increase the resilience and improve the economics of energy sup supply systems underlying the electric grid, gas pipeline systems, and transportation fuels. This is especially the case when considering particular social goals and market drivers, such as reducing carbon emissions, increasing reliability of supply, and reducing consumption of conventional petroleum fuels. This report compiles feedback collected during the workshop, which focused on policy and regulatory issues related to HES systems. Report sections include an introduction to HES pathways, market demand, and the "smart gas" concept; an overview of the workshop structure; and summary results from panel presentations and breakout groups.

  13. Electrochemical properties of TiV-based hydrogen storage alloys

    Institute of Scientific and Technical Information of China (English)

    朱云峰; 李锐; 高明霞; 刘永锋; 潘洪革; 王启东

    2003-01-01

    The electrochemical properties of the super-stoichiometric TiV-based hydrogen storage electrode alloys(Ti0.8Zr0.2)(V0.533Mn0.107Cr0.16Ni0.2)x(x=2, 3, 4, 5, 6) were studied. It is found by XRD analysis that all the al-loys mainly consist of a C14 Laves phase with hexagonal structure and a V-based solid solution phase with BCCstructure. The lattice parameters and the unit cell volumes of the two phases decrease with increasing x. The cyclelife, the linear polarization, the anode polarization and the electrochemical impedance spectra of the alloy electrodeswere investigated systematically. The overall electrochemical properties of the alloy electrode are found improvedgreatly as the result of super-stoichiometry and get to the best when x= 5.

  14. Modular Energy Storage System for Hydrogen Fuel Cell Vehicles

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, Janice [Magna International, Rochester Mills, MI (United States)

    2010-08-27

    The objective of the project is to develop technologies, specifically power electronics, energy storage electronics and controls that provide efficient and effective energy management between electrically powered devices in alternative energy vehicles plug-in electric vehicles, hybrid vehicles, range extended vehicles, and hydrogen-based fuel cell vehicles. The in-depth research into the complex interactions between the lower and higher voltage systems from data obtained via modeling, bench testing and instrumented vehicle data will allow an optimum system to be developed from a performance, cost, weight and size perspective. The subsystems are designed for modularity so that they may be used with different propulsion and energy delivery systems. This approach will allow expansion into new alternative energy vehicle markets.

  15. Effect of Annealing on Rare Earth Based Hydrogen Storage Alloys

    Institute of Scientific and Technical Information of China (English)

    Li Jinhua

    2004-01-01

    Rare earth-based hydrogen storage alloy used as negative electrode materials for nickel-metal hydride (Ni-MH) batteries are used commercially.The effect of annealing treatment with different annealing temperature and time on the MLNi3.68 Co0.78 Mn0.35 Al0.27 and MMNi3.55 Co0.75 Mn0.40 Al0.30 alloys were investigated.The crystal microstructure,pressure-composition-isotherms (p-C-T) and electrochemical properties of alloys were examined by X-ray diffraction (XRD), automatic PCI monitoring system and electrical performance testing instruments.The optimum annealing treatment conditions of two kinds of alloys were determined.

  16. A Dissipative Model for Hydrogen Storage: Existence and Regularity Results

    CERN Document Server

    Chiodaroli, Elisabetta

    2010-01-01

    We prove global existence of a solution to an initial and boundary value problem for a highly nonlinear PDE system. The problem arises from a termomechanical dissipative model describing hydrogen storage by use of metal hydrides. In order to treat the model from an analytical point of view, we formulate it as a phase transition phenomenon thanks to the introduction of a suitable phase variable. Continuum mechanics laws lead to an evolutionary problem involving three state variables: the temperature, the phase parameter and the pressure. The problem thus consists of three coupled partial differential equations combined with initial and boundary conditions. Existence and regularity of the solutions are here investigated by means of a time discretization-a priori estimate-passage to the limit procedure joined with compactness and monotonicity arguments.

  17. The transition to the metallic state in low density hydrogen.

    Science.gov (United States)

    McMinis, Jeremy; Morales, Miguel A; Ceperley, David M; Kim, Jeongnim

    2015-11-21

    Solid atomic hydrogen is one of the simplest systems to undergo a metal-insulator transition. Near the transition, the electronic degrees of freedom become strongly correlated and their description provides a difficult challenge for theoretical methods. As a result, the order and density of the phase transition are still subject to debate. In this work, we use diffusion quantum Monte Carlo to benchmark the transition between paramagnetic and anti-ferromagnetic body centered cubic atomic hydrogen in its ground state. We locate the density of the transition by computing the equation of state for these two phases and identify the phase transition order by computing the band gap near the phase transition. These benchmark results show that the phase transition is continuous and occurs at a Wigner-Seitz radius of rs = 2.27(3) a0. We compare our results to previously reported density functional theory, Hedin's GW approximation, and dynamical mean field theory results.

  18. Evaluation of on-board hydrogen storage methods for hypersonic vehicles

    Science.gov (United States)

    Akyurtlu, Ates; Akyurtlu, J. F.; Adeyiga, A. A.; Perdue, Samara; Northam, G. B.

    1989-01-01

    Hydrogen is the foremost candidate as a fuel for use in high speed transport. Since any aircraft moving at hypersonic speeds must have a very slender body, means of decreasing the storage volume requirements below that for liquid hydrogen are needed. The total performance of the hypersonic plane needs to be considered for the evaluation of candidate fuel and storage systems. To accomplish this, a simple model for the performance of a hypersonic plane is presented. To allow for the use of different engines and fuels during different phases of flight, the total trajectory is divided into three phases: subsonic-supersonic, hypersonic and rocket propulsion phase. The fuel fraction for the first phase is found be a simple energy balance using an average thrust to drag ratio for this phase. The hypersonic flight phase is investigated in more detail by taking small altitude increments. This approach allowed the use of flight profiles other than the constant dynamic pressure flight. The effect of fuel volume on drag, structural mass and tankage mass was introduced through simplified equations involving the characteristic dimension of the plane. The propellant requirement for the last phase is found by employing the basic rocket equations. The candidate fuel systems such as the cryogenic fuel combinations and solid and liquid endothermic hydrogen generators are first screened thermodynamically with respect to their energy densities and cooling capacities and then evaluated using the above model.

  19. Development of Improved Composite Pressure Vessels for Hydrogen Storage

    Energy Technology Data Exchange (ETDEWEB)

    Newhouse, Norman L. [Hexagon Lincoln, Lincoln, NE (United States)

    2016-04-29

    Hexagon Lincoln started this DOE project as part of the Hydrogen Storage Engineering Center of Excellence (HSECoE) contract on 1 February 2009. The purpose of the HSECoE was the research and development of viable material based hydrogen storage systems for on-board vehicular applications to meet DOE performance and cost targets. A baseline design was established in Phase 1. Studies were then conducted to evaluate potential improvements, such as alternate fiber, resin, and boss materials. The most promising concepts were selected such that potential improvements, compared with the baseline Hexagon Lincoln tank, resulted in a projected weight reduction of 11 percent, volume increase of 4 percent, and cost reduction of 10 percent. The baseline design was updated in Phase 2 to reflect design improvements and changes in operating conditions specified by HSECoE Partners. Evaluation of potential improvements continued during Phase 2. Subscale prototype cylinders were designed and fabricated for HSECoE Partners’ use in demonstrating their components and systems. Risk mitigation studies were conducted in Phase 3 that focused on damage tolerance of the composite reinforcement. Updated subscale prototype cylinders were designed and manufactured to better address the HSECoE Partners’ requirements for system demonstration. Subscale Type 1, Type 3, and Type 4 tanks were designed, fabricated and tested. Laboratory tests were conducted to evaluate vacuum insulated systems for cooling the tanks during fill, and maintaining low temperatures during service. Full scale designs were prepared based on results from the studies of this program. The operating conditions that developed during the program addressed adsorbent systems operating at cold temperatures. A Type 4 tank would provide the lowest cost and lightest weight, particularly at higher pressures, as long as issues with liner compatibility and damage tolerance could be resolved. A Type 1 tank might be the choice if the

  20. Reversible Storage of Hydrogen and Natural Gas in Nanospace-Engineered Activated Carbons

    Science.gov (United States)

    Romanos, Jimmy; Beckner, Matt; Rash, Tyler; Yu, Ping; Suppes, Galen; Pfeifer, Peter

    2012-02-01

    An overview is given of the development of advanced nanoporous carbons as storage materials for natural gas (methane) and molecular hydrogen in on-board fuel tanks for next-generation clean automobiles. High specific surface areas, porosities, and sub-nm/supra-nm pore volumes are quantitatively selected by controlling the degree of carbon consumption and metallic potassium intercalation into the carbon lattice during the activation process. Tunable bimodal pore-size distributions of sub-nm and supra-nm pores are established by subcritical nitrogen adsorption. Optimal pore structures for gravimetric and volumetric gas storage, respectively, are presented. Methane and hydrogen adsorption isotherms up to 250 bar on monolithic and powdered activated carbons are reported and validated, using several gravimetric and volumetric instruments. Current best gravimetric and volumetric storage capacities are: 256 g CH4/kg carbon and 132 g CH4/liter carbon at 293 K and 35 bar; 26, 44, and 107 g H2/kg carbon at 303, 194, and 77 K respectively and 100 bar. Adsorbed film density, specific surface area, and binding energy are analyzed separately using the Clausius-Clapeyron equation, Langmuir model, and lattice gas models.

  1. 76 FR 4338 - Research and Development Strategies for Compressed & Cryo-Compressed Hydrogen Storage Workshops

    Science.gov (United States)

    2011-01-25

    ... Research and Development Strategies for Compressed & Cryo- Compressed Hydrogen Storage Workshops AGENCY... Development Manager, Fuel Cell Technology Program, EE-2H, 1000 Independence Ave., SE., Washington, DC 20585... 14th will be to identify strategies to lower the cost of high pressure hydrogen storage systems...

  2. 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

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

    NARCIS (Netherlands)

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

    2011-01-01

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

  4. Electrospun zeolite-templated carbon composite fibres for hydrogen storage applications

    CSIR Research Space (South Africa)

    Annamalai, Perushini

    2017-01-01

    Full Text Available -defined hierarchical pore structure. The study involved encapsulation of highly porous zeolite-templated carbon (ZTC) into electrospun fibres and testing of the resulting composites for hydrogen storage. The hydrogen storage capacity of the composite fibres was 1...

  5. Effect of density of hydrogen-bonding donor on hydrogen-bonded multilayer buildup

    Institute of Scientific and Technical Information of China (English)

    ZHANG Hongyu; MA Ning; WANG Zhiqiang

    2005-01-01

    The effect of density of hydrogen-bonding donor (HBD) on the formation of layer-by-layer assemblies of poly(4-vinylpyridine) and poly(4-vinylphenol) was investigated. For this purpose, a series of ethyl-substituted poly(4-vinylphenol) (EsPVPhf) with variable ethyl substitute percentage was synthesized by grafting the phenol moiety along the poly(4-vinylphenol) backbone with 1-bromoethane. UV-vis spectroscopy revealed a uniform deposition process of the hydrogen-bonded multilayer consisting of poly(4- vinylpyridine) (PVPy) and EsPVPhf with variable density of HBD. Notably, it was found that increasing the HBD density of EsPVPhf resulted in a marked decrease of both amount of polymers adsorbed and film thickness, which should be related to the EsPVPhf conformation change from coiled state to extended conformation in ethanol solution. Compared with the effect of charge density in polyelectrolyte multilayer, however, there does not exist a critical density of HBD in our case of hydrogen-bonded multilayer assembly. In addition, surface structures of PVPy/EsPVPhf multilayer films also can be tailored controllably by adjusting HBD density of EsPVPhf. As a result, a new method for tuning the structure of hydrogen-bonding-directed multilayer films was developed.

  6. A 37.5-kW point design comparison of the nickel-cadmium battery, bipolar nickel-hydrogen battery, and regenerative hydrogen-oxygen fuel cell energy storage subsystems for low earth orbit

    Science.gov (United States)

    Manzo, M. A.; Hoberecht, M. A.

    1984-01-01

    Nickel-cadmium batteries, bipolar nickel-hydrogen batteries, and regenerative fuel cell storage subsystems were evaluated for use as the storage subsystem in a 37.5 kW power system for Space Station. Design requirements were set in order to establish a common baseline for comparison purposes. The storage subsystems were compared on the basis of effective energy density, round trip electrical efficiency, total subsystem weight and volume, and life.

  7. Reversible hydrogen storage in nano-structured magnesium hydride; Stockage reversible de l'hydrogene sous forme d'hydrure de magnesium nano-structure

    Energy Technology Data Exchange (ETDEWEB)

    Rango, P. de; Chaise, A.; Fruchart, D.; Miraglia, S. [Grenoble-1 Univ. Joseph-Fourier, Institut Neel / CRETA, CNRS, 38 (France); Marty, P. [Institut National Polytechnique (INPG-LEGI), 38 - Grenoble (France)

    2007-07-01

    Magnesium hydride MgH{sub 2} is an excellent potential material for hydrogen storage: abundant and cheap, it presents a high gravimetric density (7.6% in mass of hydrogen). Nevertheless, it presents both very slow absorption/desorption kinetics and a too important thermodynamic stability leading to absorption/desorption temperatures of about 300 C. A lot of studies have been carried out to improve the reaction kinetics by co-grinding with a transition metal. The aim of this work is to explain particularly the role of the transition metal. Experimental results are presented and analyzed. (O.M.)

  8. Hydrogen Storage and Release Properties of Transition Metal-Added Magnesium Hydride Alloy Fabricated by Grinding in a Hydrogen Atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, Sung Nam; Song, Myoung Youp [Chonbuk National University, Jeonju (Korea, Republic of); Park, Hye Ryoung [Chonnam National University, Gwangju (Korea, Republic of)

    2016-07-15

    90 wt% MgH{sub 2}+5 wt% Ni+2.5 wt% Fe+2.5 wt% Ti (called MgH{sub 2}+Ni+Fe+Ti), a hydrogen storage and release material, was fabricated by grinding in a hydrogen atmosphere, and then its quantities of stored and released hydrogen as a function of time were examined. A nanocrystalline MgH{sub 2}+Ni+Fe+Ti specimen was made by grinding in a hydrogen atmosphere and subsequent hydrogen storage-release cycling. The crystallite size of Mg and the strain of the Mg crystallite after ten hydrogen storage-release cycles, which were obtained using the Williamson-Hall method, were 38.6 (±1.4) nm and 0.025 (±0.0081) %, respectively. The MgH{sub 2}+Ni+Fe+Ti sample after the process of grinding in a hydrogen atmosphere was highly reactive with hydrogen. The sample exhibited an available storage capacity of hydrogen (the amount of hydrogen stored during 60 minutes) of about 5.7 wt%. At the first cycle, the MgH2+Ni+Fe+Ti sample stored hydrogen of 5.53 wt% in 5 minutes, 5.66 wt% in 10 minutes and 5.73 wt% in 60 minutes at 573 K and 12 bar of hydrogen. The MgH{sub 2}+Ni+Fe+Ti after activation released hydrogen of 0.56 wt% in 5 minutes, 1.26 wt% in 10 minutes, 2.64 wt% in 20 minutes, 3.82 wt% in 30 minutes, and 5.03 wt% in 60 minutes.

  9. Technical Assessment of Compressed Hydrogen Storage Tank Systems for Automotive Applications

    Energy Technology Data Exchange (ETDEWEB)

    Hua, Thanh [Argonne National Lab. (ANL), Argonne, IL (United States); Ahluwalia, Rajesh [Argonne National Lab. (ANL), Argonne, IL (United States); Peng, J. -K [Argonne National Lab. (ANL), Argonne, IL (United States); Kromer, Matt [TIAX LLC, Lexington, MA (United States); Lasher, Stephen [TIAX LLC, Lexington, MA (United States); McKenney, Kurtis [TIAX LLC, Lexington, MA (United States); Law, Karen [TIAX LLC, Lexington, MA (United States); Sinha, Jayanti [TIAX LLC, Lexington, MA (United States)

    2010-09-01

    This technical report describes DOE's assessment of the performance and cost of compressed hydrogen storage tank systems for automotive applications. The on-board performance (by Argonne National Lab) and high-volume manufacturing cost (by TIAX LLC) were estimated for compressed hydrogen storage tanks. The results were compared to DOE's 2010, 2015, and ultimate full fleet hydrogen storage targets. The Well-to-Tank (WTT) efficiency as well as the off-board performance and cost of delivering compressed hydrogen were also documented in the report.

  10. Efficient hydrogen storage with the combination of lightweight Mg/MgH2 and nanostructures.

    Science.gov (United States)

    Cheng, Fangyi; Tao, Zhanliang; Liang, Jing; Chen, Jun

    2012-07-28

    Efficient hydrogen storage plays a key role in realizing the incoming hydrogen economy. However, it still remains a great challenge to develop hydrogen storage media with high capacity, favourable thermodynamics, fast kinetics, controllable reversibility, long cycle life, low cost and high safety. To achieve this goal, the combination of lightweight materials and nanostructures should offer great opportunities. In this article, we review recent advances in the field of chemical hydrogen storage that couples lightweight materials and nanostructures, focusing on Mg/MgH(2)-based systems. Selective theoretical and experimental studies on Mg/MgH(2) nanostructures are overviewed, with the emphasis on illustrating the influences of nanostructures on the hydrogenation/dehydrogenation mechanisms and hydrogen storage properties such as capacity, thermodynamics and kinetics. In particular, theoretical studies have shown that the thermodynamics of Mg/MgH(2) clusters below 2 nm change more prominently as particle size decreases.

  11. Systems of solar hydrogen storage; Sistemas de almacenamiento de hidrogeno solar

    Energy Technology Data Exchange (ETDEWEB)

    Lopez, E.; Isorna, F.; Rosa, F.

    2004-07-01

    Hydrogen has the potential to play a major role in a future energy system. Hydrogen production from renewable energy can solve some of the associated problems to such energies. From production to end-users, it is essential the development of suitable hydrogen delivery and storage systems, taking into consideration the particular characteristics of each project. This article describes, in a general way, main choices for hydrogen storage when produced from renewable energy, and shows the particular case of the INTA's Hydrogen Production Plant. (Author)

  12. Promising gaseous and electrochemical hydrogen storage properties of porous Mg-Pd films under mild conditions.

    Science.gov (United States)

    Xin, Gongbiao; Yuan, Huiping; Jiang, Lijun; Wang, Shumao; Liu, Xiaopeng; Li, Xingguo

    2015-05-28

    In this paper, the gaseous and electrochemical hydrogen storage properties of 200 nm Mg-Pd thin films with different morphologies have been investigated. The results show that Mg-Pd films become porous with the increase of substrate temperature. Porous Mg-Pd films exhibit superior gaseous and electrochemical hydrogen storage behaviors under mild conditions, including rapid hydrogen sorption kinetics, a large hydrogen storage amount, high electrochemical discharge capacity, and a fast hydrogen diffusion rate. The excellent behaviors of porous Mg-Pd films might be ascribed to the significantly shortened hydrogen diffusion paths and the large contact areas between the hydrogen gas and the solid Mg phases, which are elucidative for the development and applications of thick Mg-Pd films.

  13. Reversible hydrogen storage in Mg(BH4)2/carbon nanocomposites

    NARCIS (Netherlands)

    Yan, Y.; Au, Y.S.|info:eu-repo/dai/nl/328200360; Rentsch, D.; Remhof, A.; de Jongh, P.E.|info:eu-repo/dai/nl/186125372; Züttel, A.

    2013-01-01

    Mg(BH4)2 exhibits a high hydrogen content of 14.9 wt% and thermodynamic stability in the overall decomposition reaction that corresponds to hydrogen desorption at around room temperature. However, the potential applications in hydrogen storage are restricted by high kinetic barriers. In this study,

  14. Interface effects in NaAlH4-carbon nanocomposites for hydrogen storage

    NARCIS (Netherlands)

    Gao, Jinbao|info:eu-repo/dai/nl/315029633; Ngene, Peter|info:eu-repo/dai/nl/314121684; Herrich, Monika; Xia, Wei; Gutfleisch, Oliver; Muhler, Martin; De Jong, Krijn P.|info:eu-repo/dai/nl/06885580X; De Jongh, Petra E.|info:eu-repo/dai/nl/186125372

    2014-01-01

    For practical solid-state hydrogen storage, reversibility under mild conditions is crucial. Complex metal hydrides such as NaAlH4 and LiBH4 have attractive hydrogen contents. However, hydrogen release and especially uptake after desorption are sluggish and require high temperatures and pressures.

  15. Chemical bridges for enhancing hydrogen storage by spillover and methods for forming the same

    Science.gov (United States)

    Yang, Ralph T.; Li, Yingwei; Qi, Gongshin; Lachawiec, Jr., Anthony J.

    2012-12-25

    A composition for hydrogen storage includes a source of hydrogen atoms, a receptor, and a chemical bridge formed between the source and the receptor. The chemical bridge is formed from a precursor material. The receptor is adapted to receive hydrogen spillover from the source.

  16. Reversible hydrogen storage in Mg(BH4)2/carbon nanocomposites

    NARCIS (Netherlands)

    Yan, Y.; Au, Y.S.; Rentsch, D.; Remhof, A.; de Jongh, P.E.; Züttel, A.

    2013-01-01

    Mg(BH4)2 exhibits a high hydrogen content of 14.9 wt% and thermodynamic stability in the overall decomposition reaction that corresponds to hydrogen desorption at around room temperature. However, the potential applications in hydrogen storage are restricted by high kinetic barriers. In this study,

  17. An overview of hydrogen storage materials: Making a case for metal organic frameworks

    CSIR Research Space (South Africa)

    Langmi, Henrietta W

    2013-04-01

    Full Text Available One of the major challenges facing the transition to a Hydrogen Economy is the development of a suitable storage medium for hydrogen. Conventionally, hydrogen is stored as compressed gas or cryogenically as a liquid. In order to meet future targets...

  18. Evaluation of on-board hydrogen storage methods f or high-speed aircraft

    Science.gov (United States)

    Akyurtlu, Ates; Akyurtlu, Jale F.

    1991-01-01

    Hydrogen is the fuel of choice for hypersonic vehicles. Its main disadvantage is its low liquid and solid density. This increases the vehicle volume and hence the drag losses during atmospheric flight. In addition, the dry mass of the vehicle is larger due to larger vehicle structure and fuel tankage. Therefore it is very desirable to find a fuel system with smaller fuel storage requirements without deteriorating the vehicle performance substantially. To evaluate various candidate fuel systems, they were first screened thermodynamically with respect to their energy content and cooling capacities. To evaluate the vehicle performance with different fuel systems, a simple computer model is developed to compute the vehicle parameters such as the vehicle volume, dry mass, effective specific impulse, and payload capacity. The results indicate that if the payload capacity (or the gross lift-off mass) is the most important criterion, only slush hydrogen and liquid hydrogen - liquid methane gel shows better performance than the liquid hydrogen vehicle. If all the advantages of a smaller vehicle are considered and a more accurate mass analysis can be performed, other systems using endothermic fuels such as cyclohexane, and some boranes may prove to be worthy of further consideration.

  19. Making the case for direct hydrogen storage in fuel cell vehicles

    Energy Technology Data Exchange (ETDEWEB)

    James, B.D.; Thomas, C.E.; Baum, G.N.; Lomas, F.D. Jr.; Kuhn, I.F. Jr. [Directed Technologies, Inc., Arlington, VA (United States)

    1997-12-31

    Three obstacles to the introduction of direct hydrogen fuel cell vehicles are often states: (1) inadequate onboard hydrogen storage leading to limited vehicle range; (2) lack of an hydrogen infrastructure, and (3) cost of the entire fuel cell system. This paper will address the first point with analysis of the problem/proposed solutions for the remaining two obstacles addressed in other papers. Results of a recent study conducted by Directed Technologies Inc. will be briefly presented. The study, as part of Ford Motor Company/DOE PEM Fuel Cell Program, examines multiple pure hydrogen onboard storage systems on the basis of weight, volume, cost, and complexity. Compressed gas, liquid, carbon adsorption, and metal hydride storage are all examined with compressed hydrogen storage at 5,000 psia being judged the lowest-risk, highest benefit, near-term option. These results are combined with recent fuel cell vehicle drive cycle simulations to estimate the onboard hydrogen storage requirement for full vehicle range (380 miles on the combined Federal driving schedule). The results indicate that a PNGV-like vehicle using powertrain weights and performance realistically available by the 2004 PNGV target data can achieve approximate fuel economy equivalent to 100 mpg on gasoline (100 mpg{sub eq}) and requires storage of approximately 3.6 kg hydrogen for full vehicle storage quantity allows 5,000 psia onboard storage without altering the vehicle exterior lines or appreciably encroaching on the passenger or trunk compartments.

  20. Hydrogen Energy Storage (HES) and Power-to-Gas Economic Analysis; NREL (National Renewable Energy Laboratory)

    Energy Technology Data Exchange (ETDEWEB)

    Eichman, Joshua

    2015-07-30

    This presentation summarizes opportunities for hydrogen energy storage and power-to-gas and presents the results of a market analysis performed by the National Renewable Energy Laboratory to quantify the value of energy storage. Hydrogen energy storage and power-to-gas systems have the ability to integrate multiple energy sectors including electricity, transportation, and industrial. On account of the flexibility of hydrogen systems, there are a variety of potential system configurations. Each configuration will provide different value to the owner, customers and grid system operator. This presentation provides an economic comparison of hydrogen storage, power-to-gas and conventional storage systems. The total cost is compared to the revenue with participation in a variety of markets to assess the economic competitiveness. It is found that the sale of hydrogen for transportation or industrial use greatly increases competitiveness. Electrolyzers operating as demand response devices (i.e., selling hydrogen and grid services) are economically competitive, while hydrogen storage that inputs electricity and outputs only electricity have an unfavorable business case. Additionally, tighter integration with the grid provides greater revenue (e.g., energy, ancillary service and capacity markets are explored). Lastly, additional hours of storage capacity is not necessarily more competitive in current energy and ancillary service markets and electricity markets will require new mechanisms to appropriately compensate long duration storage devices.

  1. Zirconium-Based metal organic framework (Zr-MOF) material with high hydrostability for hydrogen storage applications

    CSIR Research Space (South Africa)

    Ren, Jianwei

    2013-09-01

    Full Text Available Material-based solutions, such as metal organic frameworks (MOFs), continue to attract increasing attention as viable options for hydrogen storage applications. MOFs are widely regarded as promising materials for hydrogen storage due to their high...

  2. Safety Standard for Hydrogen and Hydrogen Systems: Guidelines for Hydrogen System Design, Materials Selection, Operations, Storage and Transportation. Revision

    Science.gov (United States)

    1997-01-01

    The NASA Safety Standard, which establishes a uniform process for hydrogen system design, materials selection, operation, storage, and transportation, is presented. The guidelines include suggestions for safely storing, handling, and using hydrogen in gaseous (GH2), liquid (LH2), or slush (SLH2) form whether used as a propellant or non-propellant. The handbook contains 9 chapters detailing properties and hazards, facility design, design of components, materials compatibility, detection, and transportation. Chapter 10 serves as a reference and the appendices contained therein include: assessment examples; scaling laws, explosions, blast effects, and fragmentation; codes, standards, and NASA directives; and relief devices along with a list of tables and figures, abbreviations, a glossary and an index for ease of use. The intent of the handbook is to provide enough information that it can be used alone, but at the same time, reference data sources that can provide much more detail if required.

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

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-07-01

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

  4. Testing facility for hydrogen storage materials designed to simulate application based conditions

    NARCIS (Netherlands)

    Westerwaal, R.J.; Nyqvist, R.G.; Haije, W.G.

    2011-01-01

    For the daily use of hydrogen storage materials, not only their intrinsic storage properties are important, but also equally important is the performance under practical conditions. Besides the techniques already available for the fundamental characterization of storage materials, there is a growing

  5. Metastable states of hydrogen: their geometric phases and flux densities

    CERN Document Server

    Gasenzer, T; Trappe, M -I

    2011-01-01

    We discuss the geometric phases and flux densities for the metastable states of hydrogen with principal quantum number n=2 being subjected to adiabatically varying external electric and magnetic fields. Convenient representations of the flux densities as complex integrals are derived. Both, parity conserving (PC) and parity violating (PV) flux densities and phases are identified. General expressions for the flux densities following from rotational invariance are derived. Specific cases of external fields are discussed. In a pure magnetic field the phases are given by the geometry of the path in magnetic field space. But for electric fields in presence of a constant magnetic field and for electric plus magnetic fields the geometric phases carry information on the atomic parameters, in particular, on the PV atomic interaction. We show that for our metastable states also the decay rates can be influenced by the geometric phases and we give a concrete example for this effect. Finally we emphasise that the general...

  6. Final Report: Main Group Element Chemistry in Service of Hydrogen Storage and Activation

    Energy Technology Data Exchange (ETDEWEB)

    David A. Dixon; Anthony J. Arduengo, III

    2010-09-30

    goal was met in terms of reducing the number of costly experiments and helping to focus the experimental effort on the potentially optimal targets. We have used computational chemistry approaches to predict the thermodynamic properties of a wide range of compounds containing boron, nitrogen, hydrogen, and other elements as appropriate including carbon. These calculations were done in most cases with high level molecular orbital theory methods that have small error bars on the order of ± 1 to 2 kcal/mol. The results were used to benchmark more approximate methods such as density functional theory for larger systems and for database development. We predicted reliable thermodynamics for thousands of compounds for release and regeneration schemes to aid/guide materials design and process design and simulation. These are the first reliable computed values for these compounds and for many represent the only available values. Overall, the computational results have provided us with new insights into the chemistry of main group and organic-base chemical hydrogen systems from the release of hydrogen to the regeneration of spent fuel. A number of experimental accomplishments were also made in this project. The experimental work on hydrogen storage materials centered on activated polarized σ- or π-bonded frameworks that hold the potential for ready dihydrogen activation, uptake, and eventually release. To this end, a large number of non-traditional valence systems including carbenes, cyanocarbons, and C-B and and B-N systems were synthesized and examined. During the course of these studies an important lead arose from the novel valency of a class of stable organic singlet bi-radical systems. A synthetic strategy to an “endless” hydrogen storage polymer has been developed based on our cyanocarbon chemistry. A key issue with the synthetic efforts was being able to link the kinetics of release with the size of the substituents as it was difficult to develop a low molecular

  7. Final Report: Main Group Element Chemistry in Service of Hydrogen Storage and Activation

    Energy Technology Data Exchange (ETDEWEB)

    David A. Dixon; Anthony J. Arduengo, III

    2010-09-30

    goal was met in terms of reducing the number of costly experiments and helping to focus the experimental effort on the potentially optimal targets. We have used computational chemistry approaches to predict the thermodynamic properties of a wide range of compounds containing boron, nitrogen, hydrogen, and other elements as appropriate including carbon. These calculations were done in most cases with high level molecular orbital theory methods that have small error bars on the order of ± 1 to 2 kcal/mol. The results were used to benchmark more approximate methods such as density functional theory for larger systems and for database development. We predicted reliable thermodynamics for thousands of compounds for release and regeneration schemes to aid/guide materials design and process design and simulation. These are the first reliable computed values for these compounds and for many represent the only available values. Overall, the computational results have provided us with new insights into the chemistry of main group and organic-base chemical hydrogen systems from the release of hydrogen to the regeneration of spent fuel. A number of experimental accomplishments were also made in this project. The experimental work on hydrogen storage materials centered on activated polarized σ- or π-bonded frameworks that hold the potential for ready dihydrogen activation, uptake, and eventually release. To this end, a large number of non-traditional valence systems including carbenes, cyanocarbons, and C-B and and B-N systems were synthesized and examined. During the course of these studies an important lead arose from the novel valency of a class of stable organic singlet bi-radical systems. A synthetic strategy to an “endless” hydrogen storage polymer has been developed based on our cyanocarbon chemistry. A key issue with the synthetic efforts was being able to link the kinetics of release with the size of the substituents as it was difficult to develop a low molecular

  8. Hydrogen Storage Materials for Mobile and Stationary Applications: Current State of the Art.

    Science.gov (United States)

    Lai, Qiwen; Paskevicius, Mark; Sheppard, Drew A; Buckley, Craig E; Thornton, Aaron W; Hill, Matthew R; Gu, Qinfen; Mao, Jianfeng; Huang, Zhenguo; Liu, Hua Kun; Guo, Zaiping; Banerjee, Amitava; Chakraborty, Sudip; Ahuja, Rajeev; Aguey-Zinsou, Kondo-Francois

    2015-09-07

    One of the limitations to the widespread use of hydrogen as an energy carrier is its storage in a safe and compact form. Herein, recent developments in effective high-capacity hydrogen storage materials are reviewed, with a special emphasis on light compounds, including those based on organic porous structures, boron, nitrogen, and aluminum. These elements and their related compounds hold the promise of high, reversible, and practical hydrogen storage capacity for mobile applications, including vehicles and portable power equipment, but also for the large scale and distributed storage of energy for stationary applications. Current understanding of the fundamental principles that govern the interaction of hydrogen with these light compounds is summarized, as well as basic strategies to meet practical targets of hydrogen uptake and release. The limitation of these strategies and current understanding is also discussed and new directions proposed.

  9. HIERARCHICAL METHODOLOGY FOR MODELING HYDROGEN STORAGE SYSTEMS PART II: DETAILED MODELS

    Energy Technology Data Exchange (ETDEWEB)

    Hardy, B; Donald L. Anton, D

    2008-12-22

    There is significant interest in hydrogen storage systems that employ a media which either adsorbs, absorbs or reacts with hydrogen in a nearly reversible manner. In any media based storage system the rate of hydrogen uptake and the system capacity is governed by a number of complex, coupled physical processes. To design and evaluate such storage systems, a comprehensive methodology was developed, consisting of a hierarchical sequence of models that range from scoping calculations to numerical models that couple reaction kinetics with heat and mass transfer for both the hydrogen charging and discharging phases. The scoping models were presented in Part I [1] of this two part series of papers. This paper describes a detailed numerical model that integrates the phenomena occurring when hydrogen is charged and discharged. A specific application of the methodology is made to a system using NaAlH{sub 4} as the storage media.

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

    Directory of Open Access Journals (Sweden)

    Renju Zacharia

    2015-01-01

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

  11. Significantly enhanced hydrogen storage in metal-organic frameworks via spillover.

    Science.gov (United States)

    Li, Yingwei; Yang, Ralph T

    2006-01-25

    The utilization of hydrogen in fuel-cell powered vehicles is limited by the lack of a safe and effective system for hydrogen storage. At the present time, there is no viable storage technology capable of meeting the DOE targets. Porous metal-organic frameworks (MOFs) are novel and potential candidates for hydrogen storage. Until now it is still not possible to achieve any significant hydrogen storage capacity in MOFs at ambient temperature. Here, we report, for the first time, significant amounts of hydrogen storage in MOF-5 and IRMOF-8 at ambient temperature by using a very simple technique via hydrogen dissociation and spillover. Thus, hydrogen uptakes for MOF-5 and IRMOF-8 can be enhanced by a factor of 3.3 and 3.1, respectively (to nearly 2 wt % at 10 MPa and 298 K). Furthermore, the isotherms are totally reversible. These findings suggest that our technique is suitable for hydrogen storage in a variety of MOF materials because of their similar structures as MOF-5 and IRMOF-8.

  12. Hydrogen storage in LiH: A first principle study

    Science.gov (United States)

    Banger, Suman; Nayak, Vikas; Verma, U. P.

    2014-04-01

    First principles calculations have been performed on the Lithium hydride (LiH) using the full potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory. We have extended our calculations for LiH+2H and LiH+6H in NaCl structure. The structural stability of three compounds have been studied. It is found that LiH with 6 added Hydrogen atoms is most stable. The obtained results for LiH are in good agreement with reported experimental data. Electronic structures of three compounds are also studied. Out of three the energy band gap in LiH is ˜3.0 eV and LiH+2H and LiH+6H are metallic.

  13. Hydrogen storage in LiH: A first principle study

    Energy Technology Data Exchange (ETDEWEB)

    Banger, Suman, E-mail: sumanphy28@gmail.com; Nayak, Vikas, E-mail: sumanphy28@gmail.com; Verma, U. P., E-mail: sumanphy28@gmail.com [School of Studies in Physics, Jiwaji University, Gwalior-474011 (India)

    2014-04-24

    First principles calculations have been performed on the Lithium hydride (LiH) using the full potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory. We have extended our calculations for LiH+2H and LiH+6H in NaCl structure. The structural stability of three compounds have been studied. It is found that LiH with 6 added Hydrogen atoms is most stable. The obtained results for LiH are in good agreement with reported experimental data. Electronic structures of three compounds are also studied. Out of three the energy band gap in LiH is ∼3.0 eV and LiH+2H and LiH+6H are metallic.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-05-23

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

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

    Science.gov (United States)

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

    2016-05-01

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

  16. Modeling of an Integrated Renewable Energy System (IRES) with hydrogen storage

    Science.gov (United States)

    Shenoy, Navin Kodange

    2010-12-01

    Scope and Method of Study. The purpose of the study was to consider the integration of hydrogen storage technology as means of energy storage with renewable sources of energy. Hydrogen storage technology consists of an alkaline electrolyzer, gas storage tank and a fuel cell. The Integrated Renewable Energy System (IRES) under consideration includes wind energy, solar energy from photovoltaics, solar thermal energy and biomass energy in the form of biogas. Energy needs are categorized depending on the type and quality of the energy requirements. After meeting all the energy needs, any excess energy available from wind and PVs is converted into hydrogen using an electrolyzer for later use in a fuel cell. Similarly, when renewable energy generation is not able to supply the actual load demand, the stored hydrogen is utilized through fuel cell to fulfill load demand. Analysis of how IRES operates in order to satisfy different types of energy needs is discussed. Findings and Conclusions. All simulations are performed using MATLAB software. Hydrogen storage technology consisting of an electrolyzer, gas storage tank and a fuel cell is incorporated in the IRES design process for a hypothetical remote community. Results show that whenever renewable energy generated is greater than the electrical demand, excess energy is stored in the form of hydrogen and in case of energy shortfall, the stored hydrogen is utilized through the fuel cell to supply to excess power demand. The overall operation of IRES is enhanced as a result of energy storage in the form of hydrogen. Hydrogen has immense potential to be the energy carrier of the future because of its clean character and the model of hydrogen storage discussed here can form an integral part of IRES for remote area applications.

  17. Numerical simulation and performance test of metal hydride hydrogen storage system

    Directory of Open Access Journals (Sweden)

    Tzu-Hsiang Yen, Bin-Hao Chen, Bao-Dong Chen

    2011-05-01

    Full Text Available Metal hydride reactors are widely used in many industrial applications, such as hydrogen storage, thermal compression, heat pump, etc. According to the research requirement of metal hydride hydrogen storage, the thermal analyses have been implemented in the paper. The metal hydride reaction beds are considered as coupled cylindrical tube modules which combine the chemical absorption and desorption in metal hydride. The model is then used metal hydride LaNi5 as an example to predict the performance of metal hydride hydrogen storage devices, such as the position of hydration front and the thermal flux. Under the different boundary condition the characteristics of heat transfer and mass transfer in metal hydride have influence on the hydrogen absorption and desorption. The researches revealed that the scroll design can improve the temperature distribution in the reactor and the porous tube for directing hydrogen can increase the penetration depth of hydride reaction to decrease the hydrogen absorption time.

  18. Effects of structure and surface properties on carbon nanotubes' hydrogen storage characteristics

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Hydrogen adsorption experiments were carried out in special stainless steel vessels at room temperature (298K) and under 10 MPa using self-synthesized multi-walled carbon nanotubes. In the experiments, carbon nanotubes synthesized by the seeded catalyst method were pretreated by being soaked in chemical reagents or annealed at high temperature before they were used to adsorb hydrogen, but their capacity for hydrogen storage was still poor. Carbon nanotubes synthesized by the floating catalyst method were found to be able to adsorb more hydrogen. They have a hydrogen storage capacity of over 4% after they were annealed at high temperatures, which suggested that they could be used as a promising material for hydrogen storage.``

  19. Capacity enhancement of aqueous borohydride fuels for hydrogen storage in liquids

    Energy Technology Data Exchange (ETDEWEB)

    Schubert, David; Neiner, Doinita [U.S. Borax Inc., Rio Tinto, Greenwood Village, CO (United States); Bowden, Mark [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, WA (United States); Whittemore, Sean; Holladay, Jamie [Pacific Northwest National Laboratory, Richland, WA (United States); Huang, Zhenguo [Institute for Superconducting and Electronic Materials, University of Wollongong, Wollongong, NSW 2500 (Australia); Autrey, Tom [Pacific Northwest National Laboratory, Richland, WA (United States)

    2015-10-05

    Highlights: • Adjusting ratio of Q = Na/B will maximize H{sub 2} storage capacity of liquid carrier. • Mixtures of hydrolysis products are desirable to maximize solubility. • 6.5 wt.% hydrogen and remains liquid from beginning to end. - Abstract: In this work we demonstrate enhanced hydrogen storage capacities through increased solubility of sodium borate product species in aqueous media achieved by adjusting the sodium (NaOH) to boron (B(OH){sub 3}) ratio, i.e., M/B, to obtain a distribution of polyborate anions. For a 1:1 mol ratio of NaOH to B(OH){sub 3}, M/B = 1, the ratio of the hydrolysis product formed from NaBH{sub 4} hydrolysis, the sole borate species formed and observed by {sup 11}B NMR is sodium metaborate, NaB(OH){sub 4}. When the ratio is 1:3 NaOH to B(OH){sub 3}, M/B = 0.33, a mixture of borate anions is formed and observed as a broad peak in the {sup 11}B NMR spectrum. The complex polyborate mixture yields a metastable solution that is difficult to crystallize. Given the enhanced solubility of the polyborate mixture formed when M/B = 0.33 it should follow that the hydrolysis of sodium octahydrotriborate, NaB{sub 3}H{sub 8}, can provide a greater storage capacity of hydrogen for fuel cell applications compared to sodium borohydride while maintaining a single phase. Accordingly, the hydrolysis of a 23 wt.% NaB{sub 3}H{sub 8} solution in water yields a solution having the same complex polyborate mixture as formed by mixing a 1:3 M ratio of NaOH and B(OH){sub 3} and releases >8 eq of H{sub 2}. By optimizing the M/B ratio a complex mixture of soluble products, including B{sub 3}O{sub 3}(OH){sub 5}{sup 2−}, B{sub 4}O{sub 5}(OH){sub 4}{sup 2−}, B{sub 3}O{sub 3}(OH){sub 4}{sup −}, B{sub 5}O{sub 6}(OH){sub 4}{sup −} and B(OH){sub 3}, can be maintained as a single liquid phase throughout the hydrogen release process. Consequently, hydrolysis of NaB{sub 3}H{sub 8} can provide a 40% increase in H{sub 2} storage density compared to the hydrolysis

  20. FINAL REPORT - Development of High Pressure Hydrogen Storage Tank for Storage and Gaseous Truck Delivery

    Energy Technology Data Exchange (ETDEWEB)

    Baldwin, Donald [Hexagon Lincoln LLC, Lincoln, NE (United States)

    2017-08-04

    The “Development of High Pressure Hydrogen Storage Tanks for Storage and Gaseous Truck Delivery” project [DE-FG36-08GO18062] was initiated on 01 July 2008. Hexagon Lincoln (then Lincoln Composites) received grant funding from the U.S. Department of Energy to support the design and development of an improved bulk hauling and storage solution for hydrogen in terms of cost, safety, weight and volumetric efficiency. The development of this capability required parallel development and qualification of large all-composites pressure vessels, a custom ISO container to transport and store said tanks, and performance of trade studies to identify optimal operating pressure for the system. Qualification of the 250 bar TITAN® module was completed in 2009 with supervision from the American Bureau of Shipping [ABS], and the equipment has been used internationally for bulk transportation of fuel gases since 2010. Phase 1 of the project was successfully completed in 2012 with the issuance of USDOT SP 14951, the special permit authorizing the manufacture, marking, sale and use of TITAN® Mobile Pipeline® equipment in the United States. The introduction of tube trailers with light weight composite tankage has meant that 2 to 3 times as much gaseous fuel can be transported with each trip. This increased hauling efficiency offers dramatically reduced operating costs and has enabled a profitable business model for over-the-road compressed natural gas delivery. The economic drivers of this business opportunity vary from country to country and region to region, but in many places gas distribution companies have realized profitable operations. Additional testing was performed in 2015 to characterize hydrogen-specific operating protocols for use of TITAN® systems in CHG service at 250 bar. This program demonstrated that existing compression and decompression methodologies can efficiently and safely fill and unload lightweight bulk hauling systems. Hexagon Lincoln and U.S. DOE agreed

  1. Phase Structure and Electrochemical Properties of RE-Mg Based Composite Hydrogen Storage Alloys

    Institute of Scientific and Technical Information of China (English)

    韩树民; 刘宝忠; 张忠; 朱惜林; 王晓铁; 荆天辅

    2004-01-01

    A new type of AB5-x%LaMg3(x=2, 3, 4, 5, 6, 7, 8)composite hydrogen storage alloys were prepared by sintering the powder mixtures of a commercial AB5 alloy and LaMg3 alloy. The phase structure and electrochemical characteristics of the composite hydrogen storage alloys were also studied. It is shown that AB5-x%LaMg3(x=2, 3, 4, 5, 6, 7, 8)composites have mult; phase structure. The matrix phase has CaCu5 structure, the second phase is LaNi3 phase. The maximum discharge capacity, discharge capacity at low temperature and HRD of AB5 alloy electrodes are greatly improved after the composite. The maximum discharge capacity of the composite electrodes increases from 325 mAh·g-1 for x=0 to 358 mAh·g-1 for x=5, and the HRD of the composites for x=5 at the current density of 1200 mA·g-130% of that of the alloy at 60 mA·g-1. The discharge capacity of AB5-x%LaMg3 composite alloy electrode at 233 K is up to 174 mAh·g-1. The improvement of the electrochemical characteristics of the composite electrodes seems to be related with formation of the LaNi3 second phase.

  2. Identification of destabilized metal hydrides for hydrogen storage using first principles calculations.

    Science.gov (United States)

    Alapati, Sudhakar V; Johnson, J Karl; Sholl, David S

    2006-05-04

    Hydrides of period 2 and 3 elements are promising candidates for hydrogen storage but typically have heats of reaction that are too high to be of use for fuel cell vehicles. Recent experimental work has focused on destabilizing metal hydrides through alloying with other elements. A very large number of possible destabilized metal hydride reaction schemes exist. The thermodynamic data required to assess the enthalpies of these reactions, however, are not available in many cases. We have used first principles density functional theory calculations to predict the reaction enthalpies for more than 100 destabilization reactions that have not previously been reported. Many of these reactions are predicted not be useful for reversible hydrogen storage, having calculated reaction enthalpies that are either too high or too low. More importantly, our calculations identify five promising reaction schemes that merit experimental study: 3LiNH(2) + 2LiH + Si --> Li(5)N(3)Si + 4H(2), 4LiBH(4) + MgH(2) --> 4LiH + MgB(4) + 7H(2), 7LiBH(4) + MgH(2) --> 7LiH + MgB(7) + 11.5H(2), CaH(2) + 6LiBH(4) --> CaB(6) + 6LiH + 10H(2), and LiNH(2) + MgH(2) --> LiMgN + 2H(2).

  3. Diagnosis of a Poorly Performing Liquid Hydrogen Bulk Storage Sphere

    Science.gov (United States)

    Krenn, Angela G.

    2011-01-01

    There are two 850,000 gallon Liquid Hydrogen (LH2) storage spheres used to support the Space Shuttle Program; one residing at Launch Pad A and the other at Launch Pad B. The LH2 Sphere at Pad B has had a high boiloff rate since being brought into service in the 1960's. The daily commodity loss was estimated to be approximately double that of the Pad A sphere, and well above the minimum required by the sphere's specification. Additionally, after being re-painted in the late 1990's a "cold spot" appeared on the outer sphere which resulted in a poor paint bond, and mold formation. Thermography was used to characterize the area, and the boiloff rate was continually evaluated. All evidence suggested that the high boiloff rate was caused by an excessive heat leak into the inner sphere due to an insulation void in the annulus. Pad B was recently taken out of Space Shuttle program service which provided a unique opportunity to diagnose the sphere's poor performance. The sphere was drained and inerted, and then opened from the annular relief device on the top where a series of boroscoping operations were accomplished. Boroscoping revealed a large Perlite insulation void in the region of the sphere where the cold spot was apparent. Perlite was then trucked in and off-loaded into the annular void region until the annulus was full. The sphere has not yet been brought back into service.

  4. Technical analysis of photovoltaic/wind systems with hydrogen storage

    Directory of Open Access Journals (Sweden)

    Bakić Vukman V.

    2012-01-01

    Full Text Available The technical analysis of a hybrid wind-photovoltaic energy system with hydrogen gas storage was studied. The market for the distributed power generation based on renewable energy is increasing, particularly for the standalone mini-grid applications. The main design components of PV/Wind hybrid system are the PV panels, the wind turbine and an alkaline electrolyzer with tank. The technical analysis is based on the transient system simulation program TRNSYS 16. The study is realized using the meteorological data for a Typical Metrological Year (TMY for region of Novi Sad, Belgrade cities and Kopaonik national park in Serbia. The purpose of the study is to design a realistic energy system that maximizes the use of renewable energy and minimizes the use of fossil fuels. The reduction in the CO2 emissions is also analyzed in the paper. [Acknowledgment. This paper is the result of the investigations carried out within the scientific project TR33036 supported by the Ministry of Science of the Republic of Serbia.

  5. Integrated photoelectrochemical energy storage: solar hydrogen generation and supercapacitor.

    Science.gov (United States)

    Xia, Xinhui; Luo, Jingshan; Zeng, Zhiyuan; Guan, Cao; Zhang, Yongqi; Tu, Jiangping; Zhang, Hua; Fan, Hong Jin

    2012-01-01

    Current solar energy harvest and storage are so far realized by independent technologies (such as solar cell and batteries), by which only a fraction of solar energy is utilized. It is highly desirable to improve the utilization efficiency of solar energy. Here, we construct an integrated photoelectrochemical device with simultaneous supercapacitor and hydrogen evolution functions based on TiO(2)/transition metal hydroxides/oxides core/shell nanorod arrays. The feasibility of solar-driven pseudocapacitance is clearly demonstrated, and the charge/discharge is indicated by reversible color changes (photochromism). In such an integrated device, the photogenerated electrons are utilized for H(2) generation and holes for pseudocapacitive charging, so that both the reductive and oxidative energies are captured and converted. Specific capacitances of 482 F g(-1) at 0.5 A g(-1) and 287 F g(-1) at 1 A g(-1) are obtained with TiO(2)/Ni(OH)(2) nanorod arrays. This study provides a new research strategy for integrated pseudocapacitor and solar energy application.

  6. Hydrazine Borane and Hydrazinidoboranes as Chemical Hydrogen Storage Materials

    Directory of Open Access Journals (Sweden)

    Romain Moury

    2015-04-01

    Full Text Available Hydrazine borane N2H4BH3 and alkali derivatives (i.e., lithium, sodium and potassium hydrazinidoboranes MN2H3BH3 with M = Li, Na and K have been considered as potential chemical hydrogen storage materials. They belong to the family of boron- and nitrogen-based materials and the present article aims at providing a timely review while focusing on fundamentals so that their effective potential in the field could be appreciated. It stands out that, on the one hand, hydrazine borane, in aqueous solution, would be suitable for full dehydrogenation in hydrolytic conditions; the most attractive feature is the possibility to dehydrogenate, in addition to the BH3 group, the N2H4 moiety in the presence of an active and selective metal-based catalyst but for which further improvements are still necessary. However, the thermolytic dehydrogenation of hydrazine borane should be avoided because of the evolution of significant amounts of hydrazine and the formation of a shock-sensitive solid residue upon heating at >300 °C. On the other hand, the alkali hydrazinidoboranes, obtained by reaction of hydrazine borane with alkali hydrides, would be more suitable to thermolytic dehydrogenation, with improved properties in comparison to the parent borane. All of these aspects are surveyed herein and put into perspective.

  7. High Density Thermal Energy Storage with Supercritical Fluids

    Science.gov (United States)

    Ganapathi, Gani B.; Wirz, Richard

    2012-01-01

    A novel approach to storing thermal energy with supercritical fluids is being investigated, which if successful, promises to transform the way thermal energy is captured and utilized. The use of supercritical fluids allows cost-affordable high-density storage with a combination of latent heat and sensible heat in the two-phase as well as the supercritical state. This technology will enhance penetration of several thermal power generation applications and high temperature water for commercial use if the overall cost of the technology can be demonstrated to be lower than the current state-of-the-art molten salt using sodium nitrate and potassium nitrate eutectic mixtures.

  8. Fabrication of Nickel Nanotube Using Anodic Oxidation and Electrochemical Deposition Technologies and Its Hydrogen Storage Property

    Directory of Open Access Journals (Sweden)

    Yan Lv

    2016-01-01

    Full Text Available Electrochemical deposition technique was utilized to fabricate nickel nanotubes with the assistance of AAO templates. The topography and element component of the nickel nanotubes were characterized by TEM and EDS. Furthermore, the nickel nanotube was made into microelectrode and its electrochemical hydrogen storage property was studied using cyclic voltammetry. The results showed that the diameter of nickel nanotubes fabricated was around 20–100 mm, and the length of the nanotube could reach micron grade. The nickel nanotubes had hydrogen storage property, and the hydrogen storage performance was higher than that of nickel powder.

  9. First principles study of hydrogen storage in SWCNT functionalized with MgH2

    Science.gov (United States)

    Lavanya, R.; Iyakutti, K.; Surya, V. J.; Vasu, V.; Kawazoe, Y.

    2013-02-01

    In this work, hydrogen storage in (10,10) armchair single walled carbon nanotube (SWCNT) functionalized with magnesium hydride (MgH2) has been investigated. As expected, due to light weight of MgH2, the system (SWCNT-MgH2) exhibits a storage capacity of 6.44 wt.%. The hydrogen adsorptions are molecular. The system is stable and thus H2 molecules can be desorbed without affecting the C - Mg attachment. Dimerization of MgH2 molecules has been observed. The binding energies confirm that the system can be used as a practical hydrogen storage medium.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-08-01

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

  11. Hydrogen as a fuel for today and tomorrow: expectations for advanced hydrogen storage materials/systems research.

    Science.gov (United States)

    Hirose, Katsuhiko

    2011-01-01

    History shows that the evolution of vehicles is promoted by several environmental restraints very similar to the evolution of life. The latest environmental strain is sustainability. Transport vehicles are now facing again the need to advance to use sustainable fuels such as hydrogen. Hydrogen fuel cell vehicles are being prepared for commercialization in 2015. Despite intensive research by the world's scientists and engineers and recent advances in our understanding of hydrogen behavior in materials, the only engineering phase technology which will be available for 2015 is high pressure storage. Thus industry has decided to implement the high pressure tank storage system. However the necessity of smart hydrogen storage is not decreasing but rather increasing because high market penetration of hydrogen fuel cell vehicles is expected from around 2025 onward. In order to bring more vehicles onto the market, cheaper and more compact hydrogen storage is inevitable. The year 2025 seems a long way away but considering the field tests and large scale preparation required, there is little time available for research. Finding smart materials within the next 5 years is very important to the success of fuel cells towards a low carbon sustainable world.

  12. Study on Kinetics of Hydrogen Absorption by Metal Hydride Slurries Ⅰ. Absorption of Hydrogen by Hydrogen Storage Alloy MlNi5 Suspended in Benzene

    Institute of Scientific and Technical Information of China (English)

    安越; 陈长聘; 徐国华; 蔡官明; 王启东

    2002-01-01

    The absorption of hydrogen was studied in metal hydride slurry, which is formed by benzene and hydrogen storage alloy powder. The influence of temperature on the rate of absorption was discussed using three-phase mass transfer model. It is also concluded that the suitable absorption temperature is 313 K.

  13. Multi-scale theoretical investigation of hydrogen storage in covalent organic frameworks.

    Science.gov (United States)

    Tylianakis, Emmanuel; Klontzas, Emmanouel; Froudakis, George E

    2011-03-01

    The quest for efficient hydrogen storage materials has been the limiting step towards the commercialization of hydrogen as an energy carrier and has attracted a lot of attention from the scientific community. Sophisticated multi-scale theoretical techniques have been considered as a valuable tool for the prediction of materials storage properties. Such techniques have also been used for the investigation of hydrogen storage in a novel category of porous materials known as Covalent Organic Frameworks (COFs). These framework materials are consisted of light elements and are characterized by exceptional physicochemical properties such as large surface areas and pore volumes. Combinations of ab initio, Molecular Dynamics (MD) and Grand Canonical Monte-Carlo (GCMC) calculations have been performed to investigate the hydrogen adsorption in these ultra-light materials. The purpose of the present review is to summarize the theoretical hydrogen storage studies that have been published after the discovery of COFs. Experimental and theoretical studies have proven that COFs have comparable or better hydrogen storage abilities than other competitive materials such as MOF. The key factors that can lead to the improvement of the hydrogen storage properties of COFs are highlighted, accompanied with some recently presented theoretical multi-scale studies concerning these factors.

  14. Multi-scale theoretical investigation of hydrogen storage in covalent organic frameworks

    Science.gov (United States)

    Tylianakis, Emmanuel; Klontzas, Emmanouel; Froudakis, George E.

    2011-03-01

    The quest for efficient hydrogen storage materials has been the limiting step towards the commercialization of hydrogen as an energy carrier and has attracted a lot of attention from the scientific community. Sophisticated multi-scale theoretical techniques have been considered as a valuable tool for the prediction of materials storage properties. Such techniques have also been used for the investigation of hydrogen storage in a novel category of porous materials known as Covalent Organic Frameworks (COFs). These framework materials are consisted of light elements and are characterized by exceptional physicochemical properties such as large surface areas and pore volumes. Combinations of ab initio, Molecular Dynamics (MD) and Grand Canonical Monte-Carlo (GCMC) calculations have been performed to investigate the hydrogen adsorption in these ultra-light materials. The purpose of the present review is to summarize the theoretical hydrogen storage studies that have been published after the discovery of COFs. Experimental and theoretical studies have proven that COFs have comparable or better hydrogen storage abilities than other competitive materials such as MOF. The key factors that can lead to the improvement of the hydrogen storage properties of COFs are highlighted, accompanied with some recently presented theoretical multi-scale studies concerning these factors.

  15. Plasma probe characteristics in low density hydrogen pulsed plasmas

    CERN Document Server

    Astakhov, D I; Lee, C J; Ivanov, V V; Krivtsun, V M; Zotovich, A I; Zyryanov, S M; Lopaev, D V; Bijkerk, F

    2014-01-01

    Probe theories are only applicable in the regime where the probe's perturbation of the plasma can be neglected. However, it is not always possible to know, a priori, that a particular probe theory can be successfully applied, especially in low density plasmas. This is especially difficult in the case of transient, low density plasmas. Here, we applied probe diagnostics in combination with a 2D particle-in-cell model, to an experiment with a pulsed low density hydrogen plasma. The calculations took into account the full chamber geometry, including the plasma probe as an electrode in the chamber. It was found that the simulations reproduce the time evolution of the probe IV characteristics with good accuracy. The disagreement between the simulated and probe measured plasma density is attributed to the limited applicability of probe theory to measurements of low density pulsed plasmas. Indeed, in the case studied here, probe measurements would lead to a large overestimate of the plasma density. In contrast, the ...

  16. 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.

  17. Hydrogen storage on nitrogen induced defects in palladium-decorated graphene: A first-principles study

    Science.gov (United States)

    Ma, Ling; Zhang, Jian-Min; Xu, Ke-Wei

    2014-02-01

    The structure and hydrogen storage behavior of Pd-decorated nitrogen-doped graphene are investigated using the first principals based on density functional theory (DFT) calculations. Among the three types of defective structures, it is found that Pd-decorated graphene with pyridinic and pyrrolic N-doped defects are more stable and exhibit hydrogen uptake ability up to three H2 per Pd atom. A single H2 or two H2 are molecularly chemisorbed on the Pd atom, where the stretched Hsbnd H bond is relaxed but not dissociated. The binding mechanism of H2 molecule is attributed to hybridization of the 4d orbitals of Pd with the σ orbitals of H2 (so-called Kubas interaction). Out of two adsorbed H2, the first and second H2 are still chemisorbed molecularly, the nature of bonding is very weak physisorption for the third adsorbed H2. Double-side Pd-decorated graphene with pyridinic and pyrrolic N defects can theoretically reach a gravimetric capacity of 1.99 wt.% hydrogen, which is very close to the recent experimental finding.

  18. Hydrogen Storage in Iron/Carbon Nanopowder Composite Materials: Effect of Varying Spiked Iron Content on Hydrogen Adsorption

    Directory of Open Access Journals (Sweden)

    Chun-Lin Chu

    2013-01-01

    Full Text Available This study investigates the effects of varying the spiked iron content of iron/carbon nanopowder (Fe/CNP composite materials on hydrogen storage capacity. Among four such samples, a maximum hydrogen uptake of approximately 0.48 wt% was obtained with 14 wt% of spiked iron under 37 atm and 300 K. This higher hydrogen uptake capacity was believed to be closely related to the physisorption mechanism rather than chemisorption. In this case, the formation of maghemite catalyzed the attraction of hydrogen molecules and the CNP skeleton was the principal absorbent material for hydrogen storage. However, as the iron content exceeded 14 wt%, the formation of larger and poorly dispersed maghemite grains reduced the available surface areas of CNP for the storage of hydrogen molecules, leading to decreased uptake. Our study shows that hydrogen uptake capacities can be improved by appropriately adjusting the surface polarities of the CNP with well dispersed iron oxides crystals.

  19. High density collinear holographic data storage system (Conference Presentation)

    Science.gov (United States)

    Tan, Xiaodi; Horimai, Hideyoshi; Arai, Ryo; Ikeda, Junichi; Inoue, Mitsuteru; Lin, Xiao; Xu, Ke; Liu, Jinpeng; Huang, Yong

    2016-09-01

    Collinear holography has been good candidate for a volumetric recording technology of holographic data storage system (HDSS), because of there are not only large storage capacities, high transfer rates, but also the unique configuration, in which the information and reference beams are modulated co-axially by the same spatial light modulator, as a new read/write method for HDSS are very promising. The optical pickup can be designed as small as DVDs, and can be placed on one side of the recording media (disc). In the disc structure, the preformatted reflective layer is used for the focus/tracking servo and reading address information, and a dichroic mirror layer is used for detecting holographic recording information without interfering with the preformatted information. A 2-dimensional digital page data format is used and the shift-multiplexing method is employed to increase recording density. As servo technologies are being introduced to control the objective lens to be maintained precisely to the disc in the recording and reconstructing process, a vibration isolator is no longer necessary. In this paper, we introduced the principle of the collinear holography and its media structure of disc. Some results of experimental and theoretical studies suggest that it is a very effective method. We also discussed some methods to increase the recording density and data transfer rates of collinear holography using phase modulated page data format.

  20. The transition to the metallic state in low density hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    McMinis, Jeremy; Morales, Miguel A. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); Ceperley, David M. [Department of Physics, University of Illinois, Urbana, Illinois 61801 (United States); Kim, Jeongnim [Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2015-11-21

    Solid atomic hydrogen is one of the simplest systems to undergo a metal-insulator transition. Near the transition, the electronic degrees of freedom become strongly correlated and their description provides a difficult challenge for theoretical methods. As a result, the order and density of the phase transition are still subject to debate. In this work, we use diffusion quantum Monte Carlo to benchmark the transition between paramagnetic and anti-ferromagnetic body centered cubic atomic hydrogen in its ground state. We locate the density of the transition by computing the equation of state for these two phases and identify the phase transition order by computing the band gap near the phase transition. These benchmark results show that the phase transition is continuous and occurs at a Wigner-Seitz radius of r{sub s} = 2.27(3) a{sub 0}. We compare our results to previously reported density functional theory, Hedin’s GW approximation, and dynamical mean field theory results.

  1. Boron-doped hydrogenated Al{sub 3} clusters: A material for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Muz, İskender, E-mail: iskender.muz@nevsehir.edu.tr [Faculty of Education, Department of Science Education, Nevsehir Haci Bektas Veli University, 50300, Nevsehir (Turkey); Atiş, Murat [Kayseri Vocational School, Electricity and Energy Department, Erciyes University, 38300, Kayseri (Turkey)

    2016-05-15

    The energetic and structural stabilities of Al{sub 3}BH{sub 2n} (n = 0–6) clusters are investigated using ab initio calculations. Structural isomers are found using the stochastic search method to search for minima structures, followed by B3LYP optimizations; single-point CCSD(T) calculations are performed to compute relative energies. Chemical bonding analysis is also performed using the adaptive natural density partitioning method to investigate the chemical bonding in the clusters and to elucidate their structural evolution. Our results and analyses indicate that the stability of the boron-doped hydrogenated Al{sub 3} clusters increases as more hydrogen molecules are adsorbed, whereas the H{sub 2} loss energy decreases. The results are in good agreement with available theoretical findings. - Highlights: • The boron-doped hydrogenated Al{sub 3} clusters are generated using stochastic search method. • The energetic and structural stabilities are investigated in detail. • The chemical bonding analysis is performed by using AdNDP analysis. • The doping by boron allows development of better aluminum-based metal hydrides.

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

    Science.gov (United States)

    Zollars, G. F.

    1980-01-01

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

  3. Hydrogen storage using polymer-supported organometallic dihydrogen complexes: a mechanistic study.

    Science.gov (United States)

    Cooper, Andrew I; Poliakoff, Martyn

    2007-07-28

    The dihydrogen complex W(CO)(5)(H(2)) can be both generated and dissociated in polymer matrices by UV photolysis at 220 K and 90 K, respectively, suggesting a potential "UV-activated" mechanism for hydrogen storage and release.

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

    Science.gov (United States)

    Zollars, G. F.

    1980-01-01

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

  5. Synchrotron radiation X-ray powder diffraction techniques applied in hydrogen storage materials - A review

    Directory of Open Access Journals (Sweden)

    Honghui Cheng

    2017-02-01

    Full Text Available Synchrotron radiation is an advanced collimated light source with high intensity. It has particular advantages in structural characterization of materials on the atomic or molecular scale. Synchrotron radiation X-ray powder diffraction (SR-XRPD has been successfully exploited to various areas of hydrogen storage materials. In the paper, we will give a brief introduction on hydrogen storage materials, X-ray powder diffraction (XRPD, and synchrotron radiation light source. The applications of ex situ and in situ time-resolved SR-XRPD in hydrogen storage materials, are reviewed in detail. Future trends and proposals in the applications of the advanced XRPD techniques in hydrogen storage materials are also discussed.

  6. Studies show C60+Ca might be a new hydrogen-storage material

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    @@ In cooperation with their US co-workers,CAS researchers recently discovered a new nanomaterial with high-capacity hydrogen storage.Their work was published in a recent issue of Physics Review Letter.

  7. Modeling, Testing and Deploying a Multifunctional Radiation Shielding / Hydrogen Storage Unit Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This project addresses two vital problems for long-term space travel activities: radiation shielding and hydrogen storage for power and propulsion. While both...

  8. Synthesis of a hybrid MIL-101(Cr)/ZTC composite for hydrogen storage applications

    CSIR Research Space (South Africa)

    Musyoka, Nicholas M

    2016-06-01

    Full Text Available Metal–organic frameworks (MOFs) hybrid composites have recently attracted considerable attention in hydrogen storage applications. In this study a hybrid composite of zeolite templated carbon (ZTC) and Cr-based MOF (MIL-101) was synthesised...

  9. Materials for hydrogen storage and the Na-Mg-B-H system

    Directory of Open Access Journals (Sweden)

    Daphiny Pottmaier

    2015-02-01

    Full Text Available This review on materials for hydrogen storage in the solid state gives a brief discussion underlying reasons and driving forces of this specific field of research and development (the why question. This scenario is followed by an outline of the main materials investigated as options for hydrogen storage (the what exactly. Then, it moves into breakthroughs in the specific case of solid state storage of hydrogen, regarding both materials (where to store it and properties (how it works. Finally, one of early model systems, namely NaBH4/MgH2 (the case study, is discussed more comprehensively to better elucidate some of the issues and drawbacks of its use in solid state hydrogen storage.

  10. Lithium decoration of three dimensional boron-doped graphene frameworks for high-capacity hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yunhui; Meng, Zhaoshun; Liu, Yuzhen; You, Dongsen; Wu, Kai; Lv, Jinchao; Wang, Xuezheng; Deng, Kaiming; Lu, Ruifeng, E-mail: dewei@ujs.edu.cn, E-mail: rflu@njust.edu.cn [Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094 (China); Rao, Dewei, E-mail: dewei@ujs.edu.cn, E-mail: rflu@njust.edu.cn [Institute for Advanced Materials, Jiangsu University, Zhenjiang 212013 (China)

    2015-02-09

    Based on density functional theory and the first principles molecular dynamics simulations, a three-dimensional B-doped graphene-interconnected framework has been constructed that shows good thermal stability even after metal loading. The average binding energy of adsorbed Li atoms on the proposed material (2.64 eV) is considerably larger than the cohesive energy per atom of bulk Li metal (1.60 eV). This value is ideal for atomically dispersed Li doping in experiments. From grand canonical Monte Carlo simulations, high hydrogen storage capacities of 5.9 wt% and 52.6 g/L in the Li-decorated material are attained at 298 K and 100 bars.

  11. First principles study on defectives BN nanotubes for water splitting and hydrogen storage

    Science.gov (United States)

    Bevilacqua, Andressa C.; Rupp, Caroline J.; Baierle, Rogério J.

    2016-06-01

    First principles calculations within the spin polarized density functional approximation have been addressed to investigate the energetic stability, electronic and optical properties of defective BN nanotubes. Our results show that the presence of carbon impurities interacting with vacancies gives rise to defective electronic levels inside the nanotube band gap. By calculating the absorbance index, we have obtained a strong inter-band optical absorption in the visible region (around 2.1 eV) showing that defective BN nanotubes could be an efficient catalytic semiconductor material to be used within solar energy for water splitting. In addition, we observe that the adsorption energy for one and two H2 molecules on the defective surface is in the desired window for the system to be useful as a hydrogen storage medium.

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

    DEFF Research Database (Denmark)

    Mazzucco, Andrea

    for each storage solution investigated in this work. Attention is given to solutions that involve high-pressure solid-state and gas hydrogen storage with an integrated passive cooling system. A set of libraries is implemented in the modeling platform to select among different material compositions, kinetic......Many challenges have still to be overcome in order to establish a solid ground for significant market penetration of fuel cell hydrogen vehicles. The development of an effective solution for on-board hydrogen storage is one of the main technical tasks that need to be tackled. The present thesis...... deals with the development of a simulation tool to design and compare different vehicular storage options with respect to targets based upon storage and fueling efficiencies. The set targets represent performance improvements with regard to the state-of-the-art technology and are separately defined...

  13. 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

    The United Technologies Research Center (UTRC), in collaboration with major partners Albemarle Corporation (Albemarle) and the Savannah River National Laboratory (SRNL), conducted research to discover new hydride materials for the storage of hydrogen having on-board reversibility and a target gravimetric capacity of ≥ 7.5 weight percent (wt %). When integrated into a system with a reasonable efficiency of 60% (mass of hydride / total mass), this target material would produce a system gravimetric capacity of ≥ 4.5 wt %, consistent with the DOE 2007 target. The approach established for the project combined first principles modeling (FPM - UTRC) with multiple synthesis methods: Solid State Processing (SSP - UTRC), Solution Based Processing (SBP - Albemarle) and Molten State Processing (MSP - SRNL). In the search for novel compounds, each of these methods has advantages and disadvantages; by combining them, the potential for success was increased. During the project, UTRC refined its FPM framework which includes ground state (0 Kelvin) structural determinations, elevated temperature thermodynamic predictions and thermodynamic / phase diagram calculations. This modeling was used both to precede synthesis in a virtual search for new compounds and after initial synthesis to examine reaction details and options for modifications including co-reactant additions. The SSP synthesis method involved high energy ball milling which was simple, efficient for small batches and has proven effective for other storage material compositions. The SBP method produced very homogeneous chemical reactions, some of which cannot be performed via solid state routes, and would be the preferred approach for large scale production. The MSP technique is similar to the SSP method, but involves higher temperature and hydrogen pressure conditions to achieve greater species mobility. During the initial phases of the project, the focus was on higher order alanate complexes in the phase space

  14. A Density Functional Study of Bare and Hydrogenated Platinum Clusters

    CERN Document Server

    Sebetci, A

    2006-01-01

    We perform density functional theory calculations using Gaussian atomic-orbital methods within the generalized gradient approximation for the exchange and correlation to study the interactions in the bare and hydrogenated platinum clusters. The minimum-energy structures, binding energies, relative stabilities, vibrational frequencies and the highest occupied and lowest unoccupied molecular-orbital gaps of Pt_nH_m (n=1-5, m=0-2) clusters are calculated and compared with previously studied pure platinum and hydrogenated platinum clusters. We investigate any magic behavior in hydrogenated platinum clusters and find that Pt_4H_2 is more stable than its neighboring sizes. Our results do not agree with a previous conclusion that 3D geometries of Pt tetramer and pentamer are unfavored. On the contrary, the lowest energy structure of Pt_4 is found to be a distorted tetrahedron and that of Pt_5 is found to be a bridge site capped tetrahedron which is a new global minimum for Pt_5 cluster. The successive addition of H ...

  15. Hydrogen adsorption and storage of Ca-decorated graphene with topological defects: A first-principles study

    Science.gov (United States)

    Ma, Ling; Zhang, Jian-Min; Xu, Ke-Wei; Ji, Vincent

    2014-09-01

    As a candidate for hydrogen storage medium, geometric stability and hydrogen capacity of Ca-decorated graphene with topological defects are investigated using the first-principle based on density functional theory (DFT), specifically for the experimentally realizable single carbon vacancy (SV), 585 double carbon vacancy (585 DCV) and 555-777 double carbon vacancy (555-777 DCV) defects. It is found that Ca atom can be stabilized on above defective graphenes since Ca's binding energy on vacancy defect is much larger than its cohesive energy. Up to six H2 molecules can stably bind to a Ca atom on defective graphene with the average adsorption energies of 0.17-0.39 eV/H2. The hybridization of the Ca-3d orbitals with H2-σorbitals and the electrostatic interaction between the Ca cation and the induced H2 dipole both contribute to the H2 molecules binding. Double-side Ca-decorated graphene with 585 DCV and 555-777 DCV defects can theoretically reach a gravimetric capacity of 5.2 wt% hydrogen, indicating that Ca-decorated defective graphene can be used as a promising material for high density hydrogen storage.

  16. Atomically Thin Interfacial Suboxide Key to Hydrogen Storage Performance Enhancements of Magnesium Nanoparticles Encapsulated in Reduced Graphene Oxide.

    Science.gov (United States)

    Wan, Liwen F; Liu, Yi-Sheng; Cho, Eun Seon; Forster, Jason D; Jeong, Sohee; Wang, Hsiao-Tsu; Urban, Jeffrey J; Guo, Jinghua; Prendergast, David

    2017-09-13

    As a model system for hydrogen storage, magnesium hydride exhibits high hydrogen storage density, yet its practical usage is hindered by necessarily high temperatures and slow kinetics for hydrogenation-dehydrogenation cycling. Decreasing particle size has been proposed to simultaneously improve the kinetics and decrease the sorption enthalpies. However, the associated increase in surface reactivity due to increased active surface area makes the material more susceptible to surface oxidation or other side reactions, which would hinder the overall hydrogenation-dehydrogenation process and diminish the capacity. Previous work has shown that the chemical stability of Mg nanoparticles can be greatly enhanced by using reduced graphene oxide as a protecting agent. Although no bulklike crystalline MgO layer has been clearly identified in this graphene-encapsulated/Mg nanocomposite, we propose that an atomically thin layer of honeycomb suboxide exists, based on first-principles interpretation of Mg K-edge X-ray absorption spectra. Density functional theory calculations reveal that in contrast to conventional expectations for thick oxides this interfacial oxidation layer permits H2 dissociation to the same degree as pristine Mg metal with the added benefit of enhancing the binding between reduced graphene oxide and the Mg nanoparticle, contributing to improved mechanical and chemical stability of the functioning nanocomposite.

  17. Underground hydrogen storage. Final report. [Salt caverns, excavated caverns, aquifers and depleted fields

    Energy Technology Data Exchange (ETDEWEB)

    Foh, S.; Novil, M.; Rockar, E.; Randolph, P.

    1979-12-01

    The technical and economic feasibility of storing hydrogen in underground storage reservoirs is evaluated. The past and present technology of storing gases, primarily natural gas is reviewed. Four types of reservoirs are examined: salt caverns, excavated caverns, aquifers, and depleted fields. A technical investigation of hydrogen properties reveals that only hydrogen embrittlement places a limit on the underground storage by hydrogen. This constraint will limit reservoir pressures to 1200 psi or less. A model was developed to determine economic feasibility. After making reasonable assumptions that a utility might make in determining whether to proceed with a new storage operation, the model was tested and verified on natural gas storage. A parameteric analysis was made on some of the input parameters of the model to determine the sensitivity of the cost of service to them. Once the model was verified it was used to compute the cost of service of storing hydrogen in the four reservoir types. The costs of service for hydrogen storage ranged from 26 to 150% of the cost of the gas stored. The study concludes that it is now both safe and economic to store hydrogen in underground reservoirs.

  18. Molecular hydrogen emission as a density and temperature indicator

    Science.gov (United States)

    Wang, Xiang; Ferland, Gary J.; Baldwin, Jack A.; Loh, Edwin D.; Fabian, Andy C.; Williams, Robin

    2016-01-01

    Infrared observations have discovered a variety of objects, including filaments in the Crab Nebula and cool-core clusters of galaxies, where the 1-0 S(1) line is stronger than the infrared H I lines. A variety of processes could be responsible for this emission. Although many complete shock or PDR calculations of emission have been published, we know of no previous simple calculation that shows the emission spectrum and level populations of thermally excited low-density . We present a range of purely thermal collisional simulations, corresponding to constant gas kinetic temperature at different densities. We consider the cases where the collisions affecting H2 are predominantly with atomic or molecular hydrogen. The resulting level population (often called "excitation") diagrams show that excitation temperatures are sometimes lower than the gas kinetic temperature when the density is too low for the level populations to go to LTE. The atomic case goes to LTE at much lower densities than the molecular case due to larger collision rates. At low densities for the v=1 and 2 vibrational manifolds level populations are quasi-thermal, which could be misinterpreted as showing the gas is in LTE at high density. At low densities for the molecular case the level population diagrams are discontinuous between v=0 and 1 vibrational manifolds and between v=2, J=0, 1 and other higher J levels within the same vibrational manifold. These jumps could be used as density diagnostics. We show how much the H2 mass would be underestimated using the 1-0 S(1) line strength if the density is below that required for LTE. We give diagnostic diagrams showing level populations over a range of density and temperature. The density where the level populations are given by a Boltzmann distribution relative to the total molecular abundance (required to get the correct H2 mass), is shown for various cases. We discuss the implications of these results for the interpretation of H2 observations of the

  19. Properties of Mg-Al alloys in relation to hydrogen storage

    DEFF Research Database (Denmark)

    Andreasen, A.

    2005-01-01

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

  20. Hydrogen patent portfolios in the automotive industry - the search for promising storage methods

    NARCIS (Netherlands)

    Bakker, S.

    2010-01-01

    In the development of hydrogen vehicle technologies, the automotive industry adopts a portfolio approach; a multitude of technological options is developed for hydrogen storage and conversion. Patent portfolios of car manufacturers are used as indicators of the variation and selection dynamics of