Hydrogen bond dynamical properties of adsorbed liquid water monolayers with various TiO2 interfaces

Science.gov (United States)

English, Niall J.; Kavathekar, Ritwik S.; MacElroy, J. M. D.

2012-12-01

Equilibrium classical molecular dynamics (MD) simulations have been performed to investigate the hydrogen-bonding kinetics of water in contact with rutile-(110), rutile-(101), rutile-(100), and anatase-(101) surfaces at room temperature (300 K). It was observed that anatase-(101) exhibits the longest-lived hydrogen bonds in terms of overall persistence, followed closely by rutile-(110). The relaxation times, defined as the integral of the autocorrelation of the hydrogen bond persistence function, were also longer for these two cases, while decay of the autocorrelation function was slower. The increased number and overall persistence of hydrogen bonds in the adsorbed water monolayers at these surfaces, particularly for anatase-(101), may serve to promote possible water photolysis activity thereon.

78 FR 6086 - Hydrogen and Fuel Cell Technical Advisory Committee (HTAC)

Science.gov (United States)

2013-01-29

... DEPARTMENT OF ENERGY Hydrogen and Fuel Cell Technical Advisory Committee (HTAC) AGENCY: Office of...). SUMMARY: This notice announces an open meeting (Webinar) of the Hydrogen and Fuel Cell Technical Advisory... Avenue, Washington, DC 20585. SUPPLEMENTARY INFORMATION: Purpose of the Committee: The Hydrogen and Fuel...

77 FR 2714 - Hydrogen and Fuel Cell Technical Advisory Committee (HTAC)

Science.gov (United States)

2012-01-19

... DEPARTMENT OF ENERGY Hydrogen and Fuel Cell Technical Advisory Committee (HTAC) AGENCY: Department.... SUMMARY: This notice announces an open meeting of the Hydrogen and Fuel Cell Technical Advisory Committee... posted on http://hydrogen.energy.gov ). Public Comment (10 minutes) Discussion of HTAC's draft annual...

76 FR 4645 - Hydrogen and Fuel Cell Technical Advisory Committee (HTAC)

Science.gov (United States)

2011-01-26

... DEPARTMENT OF ENERGY Hydrogen and Fuel Cell Technical Advisory Committee (HTAC) AGENCY: Department...: This notice announces a meeting of the Hydrogen and Fuel Cell Technical Advisory Committee (HTAC). HTAC... Agenda: (Subject to change; updates will be posted on http://hydrogen.energy.gov and copies of the final...

76 FR 60478 - Hydrogen and Fuel Cell Technical Advisory Committee (HTAC)

Science.gov (United States)

2011-09-29

... DEPARTMENT OF ENERGY Hydrogen and Fuel Cell Technical Advisory Committee (HTAC) AGENCY: Department...: The Hydrogen and Fuel Cell Technical Advisory Committee (HTAC) was established under section 807 of... website at: http://hydrogen.energy.gov and copies of the final agenda will available the date of the...

75 FR 59705 - Hydrogen and Fuel Cell Technical Advisory Committee (HTAC)

Science.gov (United States)

2010-09-28

... DEPARTMENT OF ENERGY Hydrogen and Fuel Cell Technical Advisory Committee (HTAC) AGENCY: Department...: The Hydrogen and Fuel Cell Technical Advisory Committee (HTAC) was established under section 807 of... Agenda Topics: (Subject to change; updates will be posted on the web at http://hydrogen.energy.gov and...

Materials Down Select Decisions Made Within the Department of Energy Hydrogen Sorption Center of Excellence

Energy Technology Data Exchange (ETDEWEB)

Simpson, Lin [National Renewable Energy Lab. (NREL), Golden, CO (United States)

2009-11-30

Technical report describing DOE's Hydrogen Sorption Center of Excellence investigation into various adsorbent and chemisorption materials and progress towards meeting DOE's hydrogen storage targets. The report presents a review of the material status as related to DOE hydrogen storage targets and explains the basis for the down select decisions.

Technical files. Hydrogen memento; Fiches techniques. Memento de l'hydrogene

Energy Technology Data Exchange (ETDEWEB)

NONE

2002-07-01

This document is a compilation of 30 technical files about hydrogen and its related technologies. These files cover the following aspects: general considerations (world energy consumption growth, contribution of developing countries, atmospheric pollution and greenhouse effect, health impacts, actions implemented at the world scale, role of hydrogen); glossary and acronyms; units used and conversions; world energy situation (primary production, sectoral consumption, demand trends, environmental impact, situation of fossil fuel reserves); French energy situation (primary sources, energy independence ratio, electric power status, evolutions and trends of the French energy demand); fuel cells; basic data on hydrogen (thermodynamic properties and data); hydrogen production by water electrolysis, application to small capacity systems; thermochemical water dissociation; water photo-electrolysis; hydrogen pipeline networks in the world; mechanical energy production; hydrogen thermal engines; aeronautic applications; research laboratories; industrial actors of the hydrogen sector (companies, activities, geographical situation, financial structure, strategy, R and D, cooperations, projects etc..); hydrogen flammability and explosiveness; transport and storage safety; standards and regulations about hydrogen safety in France, in Europe and in the rest of the world; hydrogen programs in the world; the programs financed by the European Union; the German programs; the programs in Island, France and UK; the programs in North America; the Japanese programs; table of the main recent R and D projects per type of program; light vehicles with fuel cells; the Daimler-Chrysler program. (J.S.)

Ecological applications of the irradiated adsorbents

International Nuclear Information System (INIS)

Tusseyev, T.

2004-01-01

Full text: In our previous works it was shown that after irradiation some adsorbents gain new interesting properties such as increasing (or decreasing) of their adsorption capacity, selectivity in relation to some gases, change of chemical bounds of gas molecules with adsorbent surface as well as other properties. We investigated a lot of adsorbents with semiconducting and dielectric properties. A high temperature superconductor was investigated also. Adsorbents were irradiated by ultraviolet (UV) and gamma - radiation, reactor (n.γ) - radiation, α-particles (E=40-50 MeV), protons ( E=30 MeV), and also He-3 ions (E-29-60 MeV). The following techniques were used: volumetric (manometrical), mass-spectrometer and IR spectroscopic methods, and also method of electronic - paramagnetic resonance (spin paramagnetic resonance) The obtained results allow to speak about creation of new adsorbents for gas purification (clearing) from harmful impurities, gas selection into components, an increasing of adsorbing surface. Thus one more advantage of the irradiated adsorbents is that they have 'memory effect', i.e. they can be used enough long time after irradiation. In laboratory conditions we built the small-sized adsorptive pump on the basis of the irradiated zeolites which are capable to work in autonomous conditions. It was found, that some of adsorbents after irradiation gain (or lose) selectivity in relation to definite gases. So, silica gel, which one in initial state does not adsorb hydrogen, after gamma irradiation it becomes active in relation to hydrogen. Some of rare earths oxides also show selectivity in relation to hydrogen and oxygen depending on a type of irradiation. Thus, it is possible to create different absorbents, depending on a solved problem, using a way or selection of adsorbents, either of radiation type and energy, as a result obtained adsorbents can be used for various ecological purposes

Krypton retention on solid adsorbents

International Nuclear Information System (INIS)

Monson, P.R. Jr.

1982-01-01

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

Interplay of adsorbate-adsorbate and adsorbate-substrate interactions in self-assembled molecular surface nanostructures

DEFF Research Database (Denmark)

Schnadt, Joachim; Xu, Wei; Vang, Ronnie Thorbjørn

2010-01-01

a large tolerance to monatomic surface steps on the Ag(110) surface. The observed behaviour is explained in terms of strong intermolecular hydrogen bonding and a strong surface-mediated directionality, assisted by a sufficient degree of molecular backbone flexibility. In contrast, the same kind of step......-edge crossing is not observed when the molecules are adsorbed on the isotropic Ag(111) or more reactive Cu(110) surfaces. On Ag(111), similar 1-D assemblies are formed to those on Ag(110), but they are oriented along the step edges. On Cu(110), the carboxylic groups of NDCA are deprotonated and form covalent...... bonds to the surface, a situation which is also achieved on Ag(110) by annealing to 200 degrees C. These results show that the formation of particular self-assembled molecular nanostructures depends significantly on a subtle balance between the adsorbate-adsorbate and adsorbate-substrate interactions...

77 FR 18243 - Hydrogen and Fuel Cell Technical Advisory Committee (HTAC); Notice of Open Meeting

Science.gov (United States)

2012-03-27

... DEPARTMENT OF ENERGY Hydrogen and Fuel Cell Technical Advisory Committee (HTAC); Notice of Open... open meeting. SUMMARY: This notice announces a meeting of the Hydrogen and Fuel Cell Technical Advisory... Committee: The Hydrogen and Fuel Cell Technical Advisory Committee (HTAC) was established under Section 807...

Technical suitability mapping of feedstocks for biological hydrogen production

NARCIS (Netherlands)

Panagiotopoulos, I.A.; Karaoglanoglou, L.S.; Koullas, D.P.; Bakker, R.R.; Claassen, P.A.M.; Koukios, E.G.

2015-01-01

The objective of this work was to map and compare the technical suitability of different raw materials for biological hydrogen production. Our model was based on hydrogen yield potential, sugar mobilization efficiency, fermentability and coproduct yield and value. The suitability of the studied

Technical files. Hydrogen memento; Fiches techniques. Memento de l'hydrogene

Energy Technology Data Exchange (ETDEWEB)

NONE

2002-07-01

This document is a compilation of 30 technical files about hydrogen and its related technologies. These files cover the following aspects: general considerations (world energy consumption growth, contribution of developing countries, atmospheric pollution and greenhouse effect, health impacts, actions implemented at the world scale, role of hydrogen); glossary and acronyms; units used and conversions; world energy situation (primary production, sectoral consumption, demand trends, environmental impact, situation of fossil fuel reserves); French energy situation (primary sources, energy independence ratio, electric power status, evolutions and trends of the French energy demand); fuel cells; basic data on hydrogen (thermodynamic properties and data); hydrogen production by water electrolysis, application to small capacity systems; thermochemical water dissociation; water photo-electrolysis; hydrogen pipeline networks in the world; mechanical energy production; hydrogen thermal engines; aeronautic applications; research laboratories; industrial actors of the hydrogen sector (companies, activities, geographical situation, financial structure, strategy, R and D, cooperations, projects etc..); hydrogen flammability and explosiveness; transport and storage safety; standards and regulations about hydrogen safety in France, in Europe and in the rest of the world; hydrogen programs in the world; the programs financed by the European Union; the German programs; the programs in Island, France and UK; the programs in North America; the Japanese programs; table of the main recent R and D projects per type of program; light vehicles with fuel cells; the Daimler-Chrysler program. (J.S.)

Hydrogen Technical Analysis -- Dissemination of Information

Energy Technology Data Exchange (ETDEWEB)

George Kervitsky, Jr.

2006-03-20

SENTECH is a small energy and environmental consulting firm providing technical, analytical, and communications solutions to technology management issues. The activities proposed by SENTECH focused on gathering and developing communications materials and information, and various dissemination activities to present the benefits of hydrogen energy to a broad audience while at the same time establishing permanent communications channels to enable continued two-way dialog with these audiences in future years. Effective communications and information dissemination is critical to the acceptance of new technology. Hydrogen technologies face the additional challenge of safety preconceptions formed primarily as a result of the crash of the Hindenburg. Effective communications play a key role in all aspects of human interaction, and will help to overcome the perceptual barriers, whether of safety, economics, or benefits. As originally proposed SENTECH identified three distinct information dissemination activities to address three distinct but important audiences; these formed the basis for the task structure used in phases 1 and 2. The tasks were: (1) Print information--Brochures that target the certain segment of the population and will be distributed via relevant technical conferences and traditional distribution channels. (2) Face-to-face meetings--With industries identified to have a stake in hydrogen energy. The three industry audiences are architect/engineering firms, renewable energy firms, and energy companies that have not made a commitment to hydrogen (3) Educational Forums--The final audience is students--the future engineers, technicians, and energy consumers. SENTECH will expand on its previous educational work in this area. The communications activities proposed by SENTECH and completed as a result of this cooperative agreement was designed to compliment the research and development work funded by the DOE by presenting the technical achievements and validations

Theoretical Insight of Physical Adsorption for a Single Component Adsorbent + Adsorbate System: II. The Henry Region

KAUST Repository

Chakraborty, Anutosh

2009-07-07

The Henry coefficients of a single component adsorbent + adsorbate system are calculated from experimentally measured adsorption isotherm data, from which the heat of adsorption at zero coverage is evaluated. The first part of the papers relates to the development of thermodynamic property surfaces for a single-component adsorbent + adsorbate system1 (Chakraborty, A.; Saha, B. B.; Ng, K. C.; Koyama, S.; Srinivasan, K. Langmuir 2009, 25, 2204). A thermodynamic framework is presented to capture the relationship between the specific surface area (Ai) and the energy factor, and the surface structural and the surface energy heterogeneity distribution factors are analyzed. Using the outlined approach, the maximum possible amount of adsorbate uptake has been evaluated and compared with experimental data. It is found that the adsorbents with higher specific surface areas tend to possess lower heat of adsorption (ΔH°) at the Henry regime. In this paper, we have established the definitive relation between Ai and ΔH° for (i) carbonaceous materials, metal organic frameworks (MOFs), carbon nanotubes, zeolites + hydrogen, and (ii) activated carbons + methane systems. The proposed theoretical framework of At and AH0 provides valuable guides for researchers in developing advanced porous adsorbents for methane and hydrogen uptake. © 2009 American Chemical Society.

Heat capacity of quantum adsorbates: Hydrogen and helium on evaporated gold films

International Nuclear Information System (INIS)

Birmingham, J.T.; Lawrence Berkeley National Lab., CA

1996-06-01

The author has constructed an apparatus to make specific heat measurements of quantum gases adsorbed on metallic films at temperatures between 0.3 and 4 K. He has used this apparatus to study quench-condensed hydrogen films between 4 and 923 layers thick with J = 1 concentrations between 0.28 and 0.75 deposited on an evaporated gold surface. He has observed that the orientational ordering of the J = 1 molecules depends on the substrate temperature during deposition of the hydrogen film. He has inferred that the density of the films condensed at the lowest temperatures is 25% higher than in bulk H 2 crystals and have observed that the structure of those films is affected by annealing at 3.4 K. The author has measured the J = 1 to J = 0 conversion rate to be comparable to that of the bulk for thick films; however, he found evidence that the gold surface catalyzes conversion in the first two to four layers. He has also used this apparatus to study films of 4 He less than one layer thick adsorbed on an evaporated gold surface. He shows that the phase diagram of the system is similar to that for 4 He/graphite although not as rich in structure, and the phase boundaries occur at different coverages and temperatures. At coverages below about half a layer and at sufficiently high temperatures, the 4 He behaves like a two-dimensional noninteracting Bose gas. At lower temperatures and higher coverages, liquidlike and solidlike behavior is observed. The Appendix shows measurements of the far-infrared absorptivity of the high-T c superconductor La 1.87 Sr 0.13 CuO 4

Extremely short optical pulse in a system of nanotubes with adsorbed hydrogen

International Nuclear Information System (INIS)

Belonenko, Mikhail B.; Popov, Alexander S.; Lebedev, Nikolay G.; Pak, Anastasia V.; Zhukov, Alexander V.

2011-01-01

In this Letter we address the system of carbon nanotubes with adsorbed hydrogen, which is a problem of particular practical importance. Based on the periodic Anderson model we describe the electronic subsystem in such a system, so that employing the method of Green functions allowed us to obtain the dispersion law for electrons. In the low-temperature limit we investigated a joint dynamics of electrons and electromagnetic field. The effective equation, which describes the propagation of ultrashort optical pulses, has been derived. We analyze the solutions of this equation and their dependence on the parameters of the problem for a two-dimensional CNT system.

77 FR 65542 - Hydrogen and Fuel Cell Technical Advisory Committee (HTAC)

Science.gov (United States)

2012-10-29

... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy Hydrogen and Fuel Cell... Energy. ACTION: Notice of Open Meeting. SUMMARY: The Hydrogen and Fuel Cell Technical Advisory Committee... Agenda: (updates will be posted on the web at: http://hydrogen.energy.gov ). Public Comment DOE Program...

75 FR 2860 - Hydrogen and Fuel Cell Technical Advisory Committee (HTAC)

Science.gov (United States)

2010-01-19

... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy Hydrogen and Fuel Cell... Energy. ACTION: Notice of Open Meeting. SUMMARY: The Hydrogen and Fuel Cell Technical Advisory Committee... change; updates will be posted on http://hydrogen.energy.gov and copies of the final agenda will...

Krypton retention on solid adsorbents

International Nuclear Information System (INIS)

Monson, P.R. Jr.

1981-08-01

Over a dozen prospective adsorbents for krypton were studied and evaluated with respect to adsorption capacity and cost for dissolver off-gas streams from nuclear reprocessing plants. Results show that, at subambient temperature (-40 0 to -80 0 C), the commercially available hydrogen mordenite has sufficient adsorptive capacity to be the most cost-effective material studied. Silver mordenite has a higher capacity for krypton retention, but is 50 times more expensive than hydrogen mordenite. The results indicate that a solid adsorbent system is feasible and competitive with other developing systems whih utilize fluorocarbon absorption and cryogenic distillation

H2@Scale: Technical and Economic Potential of Hydrogen as an Energy Intermediate

Energy Technology Data Exchange (ETDEWEB)

Ruth, Mark F [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Jadun, Paige [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Pivovar, Bryan S [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

2017-11-09

The H2@Scale concept is focused on developing hydrogen as an energy carrier and using hydrogen's properties to improve the national energy system. Specifically hydrogen has the abilities to (1) supply a clean energy source for industry and transportation and (2) increase the profitability of variable renewable electricity generators such as wind turbines and solar photovoltaic (PV) farms by providing value for otherwise potentially-curtailed electricity. Thus the concept also has the potential to reduce oil dependency by providing a low-carbon fuel for fuel cell electric vehicles (FCEVs), reduce emissions of carbon dioxide and pollutants such as NOx, and support domestic energy production, manufacturing, and U.S. economic competitiveness. The analysis reported here focuses on the potential market size and value proposition for the H2@Scale concept. It involves three analysis phases: 1. Initial phase estimating the technical potential for hydrogen markets and the resources required to meet them; 2. National-scale analysis of the economic potential for hydrogen and the interactions between willingness to pay by hydrogen users and the cost to produce hydrogen from various sources; and 3. In-depth analysis of spatial and economic issues impacting hydrogen production and utilization and the markets. Preliminary analysis of the technical potential indicates that the technical potential for hydrogen use is approximately 60 million metric tons (MMT) annually for light duty FCEVs, heavy duty vehicles, ammonia production, oil refining, biofuel hydrotreating, metals refining, and injection into the natural gas system. The technical potential of utility-scale PV and wind generation independently are much greater than that necessary to produce 60 MMT / year hydrogen. Uranium, natural gas, and coal reserves are each sufficient to produce 60 MMT / year hydrogen in addition to their current uses for decades to centuries. National estimates of the economic potential of

Creation of the technical adsorbent from local raw materials

International Nuclear Information System (INIS)

Isobaev, M.D.; Davlatnazarova, M.D.; Abdullaev, T.H.

2016-01-01

The results showed the possibility of obtaining effective adsorbents of walnut shell and the sunflower for environmental purposes, in particular for the purification of polluted waters from heavy metals. It has been shown, that 1 g of walnut shell adsorbent can adsorb on its surface ions of lead in amount of 47% by weight. The dependence of the adsorption activity of the semi-coke received from walnut shell from particle size and concentration of the solution. (author)

TESTING OF CARBONACEOUS ADSORBENTS FOR REMOVAL OF POLLUTANTS FROM WATER

Directory of Open Access Journals (Sweden)

RAISA NASTAS

2012-03-01

Full Text Available Testing of carbonaceous adsorbents for removal of pollutants from water. Relevant direction for improving of quality of potable water is application of active carbons at various stages of water treatments. This work includes complex research dealing with testing of a broad spectrum of carbonaceous adsorbents for removal of hydrogen sulfide and nitrite ions from water. The role of the surface functional groups of carbonaceous adsorbents, their acid-basic properties, and the influence of the type of impregnated heteroatom (N, O, or metals (Fe, Cu, Ni, on removal of hydrogen sulfide species and nitrite ions have been researched. The efficiency of the catalyst obtained from peach stones by impregnation with Cu2+ ions of oxidized active carbon was established, being recommended for practical purposes to remove the hydrogen sulfide species from the sulfurous ground waters. Comparative analysis of carbonaceous adsorbents reveals the importance of surface chemistry for oxidation of nitrite ions.

Specific equilibrium behavior of hydrogen isotopes adsorbed onto synthetic zeolite A-type governed by lithium cations

International Nuclear Information System (INIS)

Takashima, Shoji; Kotoh, Kenji

2013-01-01

Highlights: • Isotherms for H 2 and D 2 adsorbed onto SZ-LiA at 77.4 K are shown. • The adsorption isotherms exhibit specific deviation in the range lower than 10 Pa. • SZ-LiA indicates the power of several 100-times at 0.1 Pa, compared with SZ-NaA. • Experimental isotherms are described empirically by a dual-site Langmuir equation. • The isotope effect on adsorption isotherms appears in the Langmuir constants. -- Abstract: Since synthetic zeolites (SZs) are powerfully adsorptive for hydrogen isotopes at cryogenic temperatures such as liquefied nitrogen, adsorption processes using these have been considered applicable to such as recovery of tritium from the lithium blanket of DT fusion reactor system. Onto these zeolites the adsorptions isotherms for hydrogen isotopes onto SZ-NaA, SZ-CaA and SZ-NaX at 77.4 K were already clarified experimentally and analytically. These isotherms exhibit similar profiles of Langmuir type. In this work, adsorption isotherms were examined for H 2 and D 2 on SZ-LiA at 77.4 K. SZ-LiA was made from SZ-NaA by exchanging its sodium ions for lithium ones, provided by TOSOH Corp. The experimental results demonstrate the specific equilibrium behavior of hydrogen isotopes adsorbed on SZ-LiA, deviating from isothermal profiles on SZ-CaA and SZ-NaX. SZ-LiA show the isothermal profiles of adsorption for H 2 and D 2 similar to on the conventional zeolites in the range from around 1 kPa to the atmospheric pressure, but exhibit a plateau around 1 mol/kg between 0.1 Pa and 100 Pa, while other zeolites show linearly profiling isotherms. This deviation indicates the adsorptive power of SZ-LiA remarkably greater than that of the others

Hydrogen storage using microporous carbon materials

International Nuclear Information System (INIS)

B Buczek; E Wolak

2005-01-01

temperatures than liquefaction. Last years have brought the interest in hydrogen storage in porous carbon materials, caused by the design and accessibility of new materials, such as fullerenes, carbon nano-tubes and nano-fibers. In particular the tubular carbon structures are perspective highly adsorbing materials, for their surface adsorption (on the internal and external surface of the nano-tubes), and for the effect of capillary condensation. Data presented in Table 1 show that the amount of hydrogen adsorbed on these new materials depends of their modification and on the type of carbon precursor. In this work the concept of hydrogen storage by adsorption was analyzed. The discussion is based on measurements of hydrogen adsorption on commercial active carbon in the temperature range 77 - 298 K at pressures up to 4 MPa. The amount of gas that can be stored in an adsorption system depends on the adsorbent characteristics and the operating conditions. Adsorption method was compared with another one taking into account both technical and economical aspects. The results show that the adsorption technique could provide a viable method for hydrogen storage

Technical Integration of Nuclear Hydrogen Production Technology

International Nuclear Information System (INIS)

Lee, Ki Young; Park, J. K.; Chang, J. H.

2009-04-01

These works focus on the development of attainment indices for nuclear hydrogen key technologies, the analysis of the hydrogen production process and the performance estimation for hydrogen production systems, and the assessment of the nuclear hydrogen production cost. For assessing the degree of attainments in comparison with the final goals of VHTR technologies in progress of researches, subdivided are the prerequisite items confirmed to the NHDD concepts. We developed and applied R and D quality management methodology to meet 'Development of Key Technologies for Nuclear Hydrogen' project. And we also distributed R and D QAM and R and D QAP to each teams and are in operation. The preconceptual flow diagrams of SI, HTSE, and HyS processes are introduced and their material and energy balances have been proposed. The hydrogen production thermal efficiencies of not only the SI process as a reference process but also the HTSE and HyS processes were also estimated. Technical feasibility assessments of SI, HTSE, and HyS processes have been carried out by using the pair-wise comparison and analytic hierarchy process, and it is revealed that the experts are considering the SI process as the most feasible process. The secondary helium pathway across the SI process is introduced. Dynamic simulation codes for the H2S04vaporizer, sulfuric acid and sulfur trioxide decomposers, and HI decomposer on the secondary helium pathway and for the primary and secondary sulfuric acid distillation columns, HIx solution distillation column, and preheater for HI vapor have been developed and integrated

Advantage of fast reacting adsorbents like humic acids for the recovery of uranium from seawater

International Nuclear Information System (INIS)

Denzinger, H.; Schnell, C.; Heitkamp, D.; Wagener, K.

1980-01-01

This report is divided into two sections. The first part comprises experimental data of humic acid adsorbers; whereas, the second concerns design parameter and costs of a recovery plant using fast reacting adsorbents. Summarizing the experimental results, hydrogen-loaded humic acids on carriers show an exceptionally fast kinetics of uranium fixation in seawater which is practically temperature independent. This fast adsorption performance may be maintained in a technical recovery process if care is taken to minimize slow diffraction controlled steps preceding the uranium fixation reaction. When humic acid was used instead of titanium hydroxide in the recovery plant, there was a decrease of investment and production costs of about 50%. However, there was a higher percentage of energy costs, i.e., electric power consumption and investments for pumps

Comment on "Theoretical study of the dynamics of atomic hydrogen adsorbed on graphene multilayers"

Science.gov (United States)

Bonfanti, Matteo; Martinazzo, Rocco

2018-03-01

It is shown that the theoretical prediction of a transient magnetization in bilayer and multilayer graphene (M. Moaied et al., Phys. Rev. B 91, 155419 (2015), 10.1103/PhysRevB.91.155419) relies on an incorrect physical scenario for adsorption, namely, one in which H atoms adsorb barrierless on graphitic substrates and form a random adsorption pattern of monomers. Rather, according to experimental evidence, H atom sticking is an activated process, and adsorption is under kinetic control, largely ruled by a preferential sticking mechanism that leads to stable, nonmagnetic dimers at all but the smallest coverages (Theory and experiments are reconciled by reconsidering the hydrogen atom adsorption energetics with the help of van der Waals-inclusive density functional calculations that properly account for the basis set superposition error. It is shown that today van der Waals-density functional theory predicts a shallow physisorption well that nicely agrees with available experimental data and suggests that the hydrogen atom adsorption barrier in graphene is 180 meV high, within ˜5 meV accuracy.

Technical project of complex fast cycle heat treatment of hydrogenous coal preparation

OpenAIRE

Moiseev, V. A.; Andrienko, V. G.; Pileckij, V. G.; Urvancev, A. I.; Gvozdyakov, Dmitry Vasilievich; Gubin, Vladimir Evgenievich; Matveev, Aleksandr Sergeevich; Savostiyanova, Ludmila Viktorovna

2015-01-01

Problems of heat-treated milled hydrogenous coal preparation site creation in leading fast cycle heat treatment complex were considered. Conditions for effective use of electrostatic methods of heat-treated milled hydrogenous coal preparation were set. Technical project of heat treatment of milled hydrogenous coal preparation site was developed including coupling of working equipment complex on fast heat treatment and experimental samples of equipment being designed for manufacturing. It was ...

Bellona and hydrogen - the role of mediation in technical change

International Nuclear Information System (INIS)

Kristiansen, Beate

2001-01-01

The energy production and consumption is a major contributor to our environmental problems. The energy carrier hydrogen can be a part of the solution. In the thesis the Bellona Foundation's role in the process of technical change towards utilisation of hydrogen in Norway is investigated. Its role is analysed through the concept of mediation, which is based on seeing technical change as a social process. Mediators connect, or build bridges between, different actors, as well as between different types of knowledge. They establish new kinds of links and create new arenas of interaction for previously separated units. In addition, or through their work, they translate knowledge from one context or domain to another. They are also processing, interpreting and combining knowledge in new ways. Mediators bring together people with different competencies, and orchestrate their efforts often on a consensus basis. Bellona combines the different kinds of mediations, to influence the process of technical change at various levels and steps. They mediate mainly within the industry and between the industrial- and governmental domain. To some degree they also mediate between the experts and the public. But the direct contact with the public seems to be more or less absent in their hydrogen work. It seems like Bellona's mediator role fills an open space in the realm of technology policy making. Environmental oriented NGOs will perform or combine various mediating roles differently. To be able to make socially appropriate and sustainable technical change, probably other actors than the established traditional ones should be more involved. The possibilities for public participation should be strengthened, as well as the possibilities for mediation. (Author)

Texas Hydrogen Education Final Scientific/Technical Report

Energy Technology Data Exchange (ETDEWEB)

Hitchcock, David; Bullock, Dan

2011-06-30

, and hydrogen fueling) are effective for engaging target audiences, and (3) a clear path forward is needed for state and local agencies interested in project implementation (funding, financing, preliminary design, technical assistance, etc.).

Catalase-like activity studies of the manganese(II) adsorbed zeolites

Science.gov (United States)

Ćiçek, Ekrem; Dede, Bülent

2013-12-01

Preparation of manganese(II) adsorbed on zeolite 3A, 4A, 5A. AW-300, ammonium Y zeolite, organophilic, molecular sieve and catalase-like enzyme activity of manganese(II) adsorbed zeolites are reported herein. Firstly zeolites are activated at 873 K for two hours before contact manganese(II) ions. In order to observe amount of adsorption, filtration process applied for the solution. The pure zeolites and manganese(II) adsorbed zeolites were analysed by FT-IR. As a result according to the FT-IR spectra, the incorporation of manganese(II) cation into the zeolite structure causes changes in the spectra. These changes are expected particularly in the pseudolattice bands connected with the presence of alumino and silicooxygen tetrahedral rings in the zeolite structure. Furthermore, the catalytic activities of the Mn(II) adsorbed zeolites for the disproportionation of hydrogen peroxide were investigated in the presence of imidazole. The Mn(II) adsorbed zeolites display efficiency in the disproportion reactions of hydrogen peroxide, producing water and dioxygen in catalase-like activity.

A technical and environmental comparison between hydrogen and some fossil fuels

International Nuclear Information System (INIS)

Nicoletti, Giovanni; Arcuri, Natale; Nicoletti, Gerardo; Bruno, Roberto

2015-01-01

Highlights: • Hydrogen as new non-conventional energy system. • Technical and environmental comparison between different type of fuels. • Combustion products analysis. • Technical and environmental quality indexes for investigated fuels. • Proposal of a suitable new energy scenario supplied by hydrogen. - Abstract: The exploitation of some fossil fuels such as oil, intended as gasoline or diesel fuel, natural gas and coal, currently satisfy the majority of the growing world energy demand, but they are destined to run out relatively quickly. Beyond this point, their combustion products are the main cause of some global problems such as the greenhouse effect, the hole in the ozone layer, acid rains and generalized environment pollution, so their impact is extremely harmful. Therefore, it is clear that a solution to the energy problem can be obtained only through the use of renewable sources and by means of the exploitation of new low-polluting fuels. In this scenario an important role might be played by hydrogen, which is able to define a new energy system that is more sustainable and cleaner than current systems. For the comparison of the different fuels investigated in this paper, a methodology, which defines appropriate technical and environmental quality indexes, has been developed. These indexes are connected to the pollution produced by combustion reactions and to their intrinsic characteristics of flammability and expansiveness linked to the use of the considered fuels. An appropriate combination of these indexes, in the specific sector of utilization, allows to evaluate a global environmental index for the investigated fuels, highlighting that hydrogen reaches the highest score. In the final part of the paper, a new hydrogen energy economy that would lead to solving the serious environmental problems that damages all the ecosystems of the planet earth, is presented

The adsorber loop concept for the contact between seawater and adsorber granulate

International Nuclear Information System (INIS)

Koske, P.H.; Ohlrogge, K.

1984-01-01

For the production of 1 kg uranium from seawater about 10 9 kg seawater - depending on the extraction efficiency - have to be processed in a production plant. Such high seawater flows have to be put through adsorber beds the area of which depends on the flow velocity of the water in the bed. For a typical polyamidoxim (PAO) adsorber granulate with a grain size distribution of 0.3 to 1.2 mm the velocity in a fluidized bed is limited to about 1 cm/s in order to prevent carry out of the adsorber material. The consequences of this rather low bed velocity are large and expensive bed areas for technical production plants. The present paper deals with the so-called ''adsorber loop concept'' in which the adsorber granulate is carried along with the seawater to be processed in a loop-like configuration and is separated again from the water before this is leaving the adsorption unit. This concept enables considerably higher seawater velocities thus reducing the bed area. Theoretical considerations are presented together with experimental results from field tests. (author)

Hydrogen as a fuel for fuel cell vehicles: A technical and economic comparison

Energy Technology Data Exchange (ETDEWEB)

Ogden, J.; Steinbugler, M.; Kreutz, T. [Princeton Univ., NJ (United States). Center for Energy and Environmental Studies

1997-12-31

All fuel cells currently being developed for near term use in vehicles require hydrogen as a fuel. Hydrogen can be stored directly or produced onboard the vehicle by reforming methanol, ethanol or hydrocarbon fuels derived from crude oil (e.g., Diesel, gasoline or middle distillates). The vehicle design is simpler with direct hydrogen storage, but requires developing a more complex refueling infrastructure. In this paper, the authors compare three leading options for fuel storage onboard fuel cell vehicles: compressed gas hydrogen storage; onboard steam reforming of methanol; onboard partial oxidation (POX) of hydrocarbon fuels derived from crude oil. Equilibrium, kinetic and heat integrated system (ASPEN) models have been developed to estimate the performance of onboard steam reforming and POX fuel processors. These results have been incorporated into a fuel cell vehicle model, allowing us to compare the vehicle performance, fuel economy, weight, and cost for various fuel storage choices and driving cycles. A range of technical and economic parameters were considered. The infrastructure requirements are also compared for gaseous hydrogen, methanol and hydrocarbon fuels from crude oil, including the added costs of fuel production, storage, distribution and refueling stations. Considering both vehicle and infrastructure issues, the authors compare hydrogen to other fuel cell vehicle fuels. Technical and economic goals for fuel cell vehicle and hydrogen technologies are discussed. Potential roles for hydrogen in the commercialization of fuel cell vehicles are sketched.

Solid adsorbents for removal of hydrogen sulphide from hot gas

Energy Technology Data Exchange (ETDEWEB)

Furimsky, E.; Yumura, Motoo

1986-04-01

A wide range of solids have been tested as potential adsorbents for H/sub 2/S removal from hot gas. These solids can be divided into two main groups, i.e., the adsorbents containing alkaline earth metals and those containing transition metals. Among the former, calcium oxide and naturally occurring materials such as limestone, dolomite and calcium silicate have attracted a great deal of attention. The adsorbents of the second group include iron oxide alone or in combination with some supports, zinc oxide, zinc ferrite and manganese oxide. The materials containing both the alkaline earth metals and transition metals, e.g., manganese nodules, fly ash and the reject from the aluminium industry (red mud) have been evaluated as well.

Browns Ferry charcoal adsorber incident

International Nuclear Information System (INIS)

Mays, G.T.

1979-01-01

The article reviews the temperature excursion in the charcoal adsorber beds of the Browns Ferry Unit 3 off-gas system that occurred on July 17, 1977. Significant temperature increases were experienced in the charcoal adsorber beds when charcoal fines were ignited by the ignition of a combustible mixture of hydrogen and oxygen in the off-gas system. The Browns Ferry off-gas system is described, and events leading up to and surrounding the incident are discussed. The follow-up investigation by Tennessee Valley Authority and General Electric Company personnel and their recommendations for system and operational modifications are summarized

Hydrogen storage using microporous carbon materials

International Nuclear Information System (INIS)

Buczek, B.; Wolak, E.

2005-01-01

higher temperatures than liquefaction [3]. Last years have brought the interest in hydrogen storage in porous carbon materials, caused by the design and accessibility of new materials, such as fullerenes, carbon nano-tubes and nano-fibers. In particular the tubular carbon structures are perspective highly adsorbing materials, for their surface adsorption (on the internal and external surface of the nano-tubes), and for the effect of capillary condensation [4]. Data presented in Table 1 show that the amount of hydrogen adsorbed on these new materials depends of their modification and on the type of carbon precursor [5]. In this work the concept of hydrogen storage by adsorption was analyzed. The discussion is based on measurements of hydrogen adsorption on commercial active carbon in the temperature range 77 - 298 K at pressures up to 4 MPa. The amount of gas that can be stored in an adsorption system depends on the adsorbent characteristics and the operating conditions. Adsorption method was compared with another one taking into account both technical and economical aspects. The results show that the adsorption technique could provide a viable method for hydrogen storage. [1]G. D. Berry, A. D. Pastemak, G. D. Rambach, J. R. Smith, N. Schock, Energy. 21, 289, 1996; [2]L. Czepirski, Przem. Chem. 70, 129, 1991 (in Polish); [3]B. Buczek, L. Czepirski, Inz. Chem. Proc., 24, 545, 2003; [4]U. Huczko, Przem. Chem. 81, 19, 2002 (in Polish); [5]U. Buenger, W. Zittel, Appl. Phys. A 72, 147, 2001. (authors)

Revisiting the inelastic electron tunneling spectroscopy of single hydrogen atom adsorbed on the Cu(100) surface

International Nuclear Information System (INIS)

Jiang, Zhuoling; Wang, Hao; Sanvito, Stefano; Hou, Shimin

2015-01-01

Inelastic electron tunneling spectroscopy (IETS) of a single hydrogen atom on the Cu(100) surface in a scanning tunneling microscopy (STM) configuration has been investigated by employing the non-equilibrium Green’s function formalism combined with density functional theory. The electron-vibration interaction is treated at the level of lowest order expansion. Our calculations show that the single peak observed in the previous STM-IETS experiments is dominated by the perpendicular mode of the adsorbed H atom, while the parallel one only makes a negligible contribution even when the STM tip is laterally displaced from the top position of the H atom. This propensity of the IETS is deeply rooted in the symmetry of the vibrational modes and the characteristics of the conduction channel of the Cu-H-Cu tunneling junction, which is mainly composed of the 4s and 4p z atomic orbitals of the Cu apex atom and the 1s orbital of the adsorbed H atom. These findings are helpful for deepening our understanding of the propensity rules for IETS and promoting IETS as a more popular spectroscopic tool for molecular devices

Hydrogen Station Compression, Storage, and Dispensing Technical Status and Costs: Systems Integration

Energy Technology Data Exchange (ETDEWEB)

Parks, G.; Boyd, R.; Cornish, J.; Remick, R.

2014-05-01

At the request of the U.S. Department of Energy Fuel Cell Technologies Office (FCTO), the National Renewable Energy Laboratory commissioned an independent review of hydrogen compression, storage, and dispensing (CSD) for pipeline delivery of hydrogen and forecourt hydrogen production. The panel was asked to address the (1) cost calculation methodology, (2) current cost/technical status, (3) feasibility of achieving the FCTO's 2020 CSD levelized cost targets, and to (4) suggest research areas that will help the FCTO reach its targets. As the panel neared the completion of these tasks, it was also asked to evaluate CSD costs for the delivery of hydrogen by high-pressure tube trailer. This report details these findings.

Technical Assessment of Cryo-Compressed Hydrogen Storage Tank Systems for Automotive Applications

Energy Technology Data Exchange (ETDEWEB)

Ahluwalia, Rajesh [Argonne National Lab. (ANL), Argonne, IL (United States); Hua, T. Q. [Argonne National Lab. (ANL), Argonne, IL (United States); Peng, J. -K. [Argonne National Lab. (ANL), Argonne, IL (United States); Lasher, S. [TIAX LLC, Lexington, MA (United States); McKenney, Kurtis [TIAX LLC, Lexington, MA (United States); Sinha, J. [TIAX LLC, Lexington, MA (United States)

2009-12-01

Technical report describing DOE's second assessment report on a third generation (Gen3) system capable of storing hydrogen at cryogenic temperatures within a pressure vessel on-board a vehicle. The report includes an overview of technical progress to date, including the potential to meet DOE onboard storage targets, as well as independent reviews of system cost and energy analyses of the technology paired with delivery costs.

Methyl iodide tests on used adsorbents

International Nuclear Information System (INIS)

Kovach, J.L.

1993-01-01

This paper discusses the history of events leading to the current problems in radioiodine test conditions. These radioiodine tests are performed in the adsorbent media from both safety and non-safety related Nuclear Air Treatment Systems (NATS). The main problem addressed is that currently there are still numerous plant technical specifications for NATS which reference outdated test protocols for the surveillance testing of the radioactive methyl iodide performance of the adsorbents. Recommendations for correcting the test condition problems are presented. 7 refs

Final Technical Report for GO17004 Regulatory Logic: Codes and Standards for the Hydrogen Economy

Energy Technology Data Exchange (ETDEWEB)

Nakarado, Gary L. [Regulatory Logic LLC, Golden, CO (United States)

2017-02-22

The objectives of this project are to: develop a robust supporting research and development program to provide critical hydrogen behavior data and a detailed understanding of hydrogen combustion and safety across a range of scenarios, needed to establish setback distances in building codes and minimize the overall data gaps in code development; support and facilitate the completion of technical specifications by the International Organization for Standardization (ISO) for gaseous hydrogen refueling (TS 20012) and standards for on-board liquid (ISO 13985) and gaseous or gaseous blend (ISO 15869) hydrogen storage by 2007; support and facilitate the effort, led by the NFPA, to complete the draft Hydrogen Technologies Code (NFPA 2) by 2008; with experimental data and input from Technology Validation Program element activities, support and facilitate the completion of standards for bulk hydrogen storage (e.g., NFPA 55) by 2008; facilitate the adoption of the most recently available model codes (e.g., from the International Code Council [ICC]) in key regions; complete preliminary research and development on hydrogen release scenarios to support the establishment of setback distances in building codes and provide a sound basis for model code development and adoption; support and facilitate the development of Global Technical Regulations (GTRs) by 2010 for hydrogen vehicle systems under the United Nations Economic Commission for Europe, World Forum for Harmonization of Vehicle Regulations and Working Party on Pollution and Energy Program (ECE-WP29/GRPE); and to Support and facilitate the completion by 2012 of necessary codes and standards needed for the early commercialization and market entry of hydrogen energy technologies.

SISGR - Hydrogen Caged in Carbon-Exploration of Novel Carbon-Hydrogen Interactions

Energy Technology Data Exchange (ETDEWEB)

Lueking, Angela [Pennsylvania State Univ., State College, PA (United States); Badding, John [Pennsylvania State Univ., State College, PA (United States); Crespi, Vinent [Pennsylvania State Univ., State College, PA (United States)

2015-12-01

Hydrogen trapped in a carbon cage, captured through repulsive interactions, is a novel concept in hydrogen storage. Trapping hydrogen via repulsive interactions borrows an idea from macroscale hydrogen storage (i.e. compressed gas storage tanks) and reapplies these concepts on the nanoscale in specially designed molecular containers. Under extreme conditions of pressure, hydrogen solubility in carbon materials is expected to increase and carbon is expected to restructure to minimize volume via a mixed sp2/sp3 hydrogenated state. Thermodynamics dictate that pre-formed C-H structures will rearrange with increased pressure, yet the final carbon-hydrogen interactions may be dependent upon the mechanism by which hydrogen is introduced. Gas “trapping” is meant to denote gas present in a solid in a high density, adsorbed-like state, when the external pressure is much less than that necessary to provide a comparable fluid density. Trapping thus denotes a kinetically metastable state rather than thermodynamic equilibrium. This project probed mechanochemical means to polymerize select hydrocarbons in the presence of gases, in an attempt to form localized carbon cages that trap gases via repulsive interactions. Aromatic, polyaromatic, and hydroaromatic molecules expected to undergo cyclo-addition reactions were polymerized at high (~GPa) pressures to form extended hydrogenated amorphous carbon networks. Notably, aromatics with a pre-existing internal free volume (such as Triptycene) appeared to retain an internal porosity upon application of pressure. However, a high photoluminescence background after polymerization precluded in situ identification of trapped gases. No spectroscopic evidence was found after depressurization that would be indicative of pockets of trapped gases in a localized high-pressure environment. Control studies suggested this measurement may be insensitive to gases at low pressure. Similarly, no spectral fingerprint was found for gas-imbued spherical

The Dynamics and Structures of Adsorbed Surfaces

DEFF Research Database (Denmark)

Nielsen, M; Ellenson, W. D.; McTague, J. P.

1978-01-01

. Elastic neutron diffraction measurements, determining the two-dimensional structural ordering of the adsorbed films, have been performed on layers of N2, Ar, H2, D2, O2, Kr, and He. Measurements on layers of larger molecules such as CD4 and ND3 have also been reported. Inelastic neutron scattering...... measurements, studying the dynamics of the adsorbed films are only possible in a few especially favourable cases such as 36Ar and D2 films, where the coherent phonon scattering cross-sections are very large. In other cases incoherent scattering from hydrogen can give information about e.g. the mobility...

H2 at Scale: Benefitting our Future Energy System - Update for the Hydrogen Technical Advisory Committee

Energy Technology Data Exchange (ETDEWEB)

Ruth, Mark

2016-12-06

Hydrogen is a flexible, clean energy carrying intermediate that enables aggressive market penetration of renewables while deeply decarbonizing our energy system. H2 at Scale is a concept that supports the electricity grid by utilizing energy without other demands at any given time and also supports transportation and industry by providing low-priced hydrogen to them. This presentation is an update to the Hydrogen Technical Advisory Committee (HTAC).

Emission spectroscopy of hydrogen molecules in technical and divertor plasmas

International Nuclear Information System (INIS)

Fantz, U.

2002-01-01

The paper gives an overview of the diagnostics of hydrogen molecules in technical plasmas (MW and RF discharges) and in divertor plasmas of fusion experiments (ASDEX Upgrade / Tokamak at the Max-Planck-Institut fuer Plasmaphysik in Garching near Munich, Germany). The Fulcher transition in the visible spectral range was chosen for analysis since this is the most prominent band in the spectrum of molecular hydrogen. Examples for diagnostics of molecular densities will be given, and the problems arising in the interpretation of spectra will be discussed. In divertor plasmas the diagnostics of molecular.uxes will be introduced and the contribution of molecules to the plasma recombination will be discussed. Results for vibrational populations in the ground state and the correlation to the upper Fulcher state will be given, providing an electron temperature diagnostic. Finally, the in.uence of surfaces (high-grade steel and graphite) on vibrational populations and on re.ection coe.cients of atoms will be shown. Special attention is given on a comparison of the isotopes hydrogen and deuterium. (Abstract Copyright [2002], Wiley Periodicals, Inc.)

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

Catalytic isotope exchange reaction between deuterium gas and water pre-adsorbed on platinum/alumina

International Nuclear Information System (INIS)

Iida, Itsuo; Kato, Junko; Tamaru, Kenzi.

1976-01-01

The catalytic isotope exchange reaction between deuterium gas and the water pre-adsorbed on Pt/Al 2 O 3 was studied. At reaction temperatures above 273 K, the exchange rate was proportional to the deuterium pressure and independent of the amount of adsorbed water, which suggests that the rate determining step is the supply of deuterium from the gas phase. Its apparent activation energy was 38 kJ mol -1 . Below freezing point of water, the kinetic behaviour was different from that above freezing point. At higher deuterium pressures the rate dropped abruptly at 273 K. Below the temperature the apparent activation energy was 54 kJ mol -1 and the exchange rate depended not on the deuterium pressure but on the amount of the pre-adsorbed water. At lower pressures, however, the kinetic behaviour was the same as the above 273 K, till the rate of the supply of deuterium from the gas phase exceeded the supply of hydrogen from adsorbed water to platinum surface. These results suggest that below 273 K the supply of hydrogen is markedly retarded, the state of the adsorbed water differing from that above 273 K. It was also demonstrated that when the adsorbed water is in the state of capillary condensation, the exchange rate becomes very small. (auth.)

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

Science.gov (United States)

Tanabe, Katsuaki

2016-01-01

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

Achieving Hydrogen Storage Goals through High-Strength Fiber Glass - Final Technical Report

Energy Technology Data Exchange (ETDEWEB)

Li, Hong [PPG Industries, Inc., Cheswick, PA (United States); Johnson, Kenneth I. [PPG Industries, Inc., Cheswick, PA (United States); Newhouse, Norman L. [PPG Industries, Inc., Cheswick, PA (United States)

2017-06-05

Led by PPG and partnered with Hexagon Lincoln and Pacific Northwest National Laboratory (PNNL), the team recently carried out a project “Achieving Hydrogen Storage Goals through High-Strength Fiber Glass”. The project was funded by DOE’s Fuel Cell Technologies office within the Office of Energy Efficiency and Renewable Energy, starting on September 1, 2014 as a two-year project to assess technical and commercial feasibilities of manufacturing low-cost, high-strength glass fibers to replace T700 carbon fibers with a goal of reducing the composite total cost by 50% of the existing, commercial 700 bar hydrogen storage tanks used in personal vehicles.

Hydrogen fuel. Uses

International Nuclear Information System (INIS)

Darkrim-Lamari, F.; Malbrunot, P.

2006-01-01

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

Transition towards a hydrogen economy: infrastructures and technical change

International Nuclear Information System (INIS)

Bento, Nuno

2010-01-01

The double constraint of climate change and increasing scarcity of oil requires that we consider alternative energies for the medium term. This thesis focuses on the development of a hydrogen economy, which is conditional on the existence of an infrastructure for the distribution of the new fuel and the readiness of fuel cells. The main idea is that the state can play a central role in both infrastructure implementation and preparation of fuel cells technology. The thesis begins with a techno-economic analysis of the hydrogen-energy chain, which highlights the difficulty of setting up the infrastructure. The study of the development of electricity and gas networks in the past provides the empirical basis supporting the hypothesis that government can play an important role to consolidate the diffusion of socio-technical networks. In addition, private projects of stations may be justified by early-move benefits, although their financial viability depends on the demand for hydrogen which is in turn dependent on the performance of the fuel cell vehicle. The introduction of radical innovations, such as fuel cell, has been made more difficult by the domination of conventional technologies. This assertion is particularly true in the transport sector which was progressively locked into fossil fuels by a process of technological and institutional co-evolution driven by increasing returns of scale. Hence, fuel cells may primarily diffuse through the accumulation of niches where the innovation is closer to commercialization. These niches may be located in portable applications segment. Investments in research and demonstration are still necessary in order to reduce costs and increase performances of fuel cells. Using a simple model of multi-technological diffusion, we analyze the competition between the hydrogen fuel cell vehicle and the plug-in hybrid car for the automotive market. We show that an early entry of the latter may block the arrival of hydrogen in the market

Technical Analysis of Hydrogen Production

Energy Technology Data Exchange (ETDEWEB)

Ali T-Raissi

2005-01-14

The aim of this work was to assess issues of cost, and performance associated with the production and storage of hydrogen via following three feedstocks: sub-quality natural gas (SQNG), ammonia (NH{sub 3}), and water. Three technology areas were considered: (1) Hydrogen production utilizing SQNG resources, (2) Hydrogen storage in ammonia and amine-borane complexes for fuel cell applications, and (3) Hydrogen from solar thermochemical cycles for splitting water. This report summarizes our findings with the following objectives: Technoeconomic analysis of the feasibility of the technology areas 1-3; Evaluation of the hydrogen production cost by technology areas 1; and Feasibility of ammonia and/or amine-borane complexes (technology areas 2) as a means of hydrogen storage on-board fuel cell powered vehicles. For each technology area, we reviewed the open literature with respect to the following criteria: process efficiency, cost, safety, and ease of implementation and impact of the latest materials innovations, if any. We employed various process analysis platforms including FactSage chemical equilibrium software and Aspen Technologies AspenPlus and HYSYS chemical process simulation programs for determining the performance of the prospective hydrogen production processes.

Rate inhibition of steam gasification of adsorbed hydrogen. Technical progress report, October 1, 1994--December 31, 1994

Energy Technology Data Exchange (ETDEWEB)

Miller, D.J.

1995-04-01

Work during the fifth quarter of the grant period has involved both gasification experiments in steam and hydrogen and continued development of the reaction apparatus and analytical methods. Most of the latter work has focused on mass spectrometric analysis of the effluent gases to obtain better response factors and to reduce background signals resulting from impurities in the reacting gas stream.

Hydrogen trapping ability of the pyridine-lithium⁺ (1:1) complex.

Science.gov (United States)

Chattaraj, Saparya; Srinivasu, K; Mondal, Sukanta; Ghosh, Swapan K

2015-03-26

Theoretical studies have been carried out at different levels of theory to verify the hydrogen adsorption characteristics of pyridine-lithium ion (1:1) complexes. The nature of interactions associated with the bonding between pyridine and lithium as well as that between lithium and adsorbed molecular hydrogen is studied through the calculation of electron density and electron-density-based reactivity descriptors. The pyridine-lithium ion complex has been hydrogenated systematically around the lithium site, and each lithium site is found to adsorb a maximum of four hydrogen molecules with an interaction energy of ∼-4.0 kcal/mol per molecule of H2. The fate of the hydrogen adsorbed in a pyridine-lithium ion complex (corresponding to the maximum adsorption) is studied in the course of a 2 ps time evolution through ab initio molecular dynamics simulation at different temperatures. The results reveal that the complex can hold a maximum of four hydrogen molecules at a temperature of 77 K, whereas it can hold only two molecules of hydrogen at 298 K.

Correlations between electrochemical activity and heterogeneous catalysis for hydrogen dissociation on platinum

Energy Technology Data Exchange (ETDEWEB)

Ross, P N; Stonehart, P [Pratt and Whitney Aircraft, Middletown, Conn. (USA)

1975-02-01

Hydrogen-deuterium exchange rates on platinum surfaces have been compared to equivalent hydrogen molecule and adsorbed hydrogen atom electrochemical oxidation rates on the same surfaces. Over a temperature range of 293 to 360/sup 0/K the first order rate constants for H/sub 2/-D/sub 2/ exchange and hydrogen molecule electrochemical oxidation are the same, showing that the absorption-dissociation reaction (TAFEL, BONHOEFFER-FARKAS) is rate controlling. The rate of oxidation of the adsorbed hydrogen atom reaction involving electron transfer (VOLMER) is an order of magnitude larger.

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

Directory of Open Access Journals (Sweden)

Katsuaki Tanabe

2016-01-01

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

High and rapid hydrogen release from thermolysis of ammonia borane near PEM fuel cell operating temperature

Science.gov (United States)

Varma, Arvind; Hwang, Hyun Tae; Al-Kukhun, Ahmad

2016-11-15

A system for generating and purifying hydrogen. To generate hydrogen, the system includes inlets configured to receive a hydrogen carrier and an inert insulator, a mixing chamber configured to combine the hydrogen carrier and the inert insulator, a heat exchanger configured to apply heat to the mixture of hydrogen carrier and the inert insulator, wherein the applied heat results in the generation of hydrogen from the hydrogen carrier, and an outlet configured to release the generated hydrogen. To purify hydrogen, the system includes a primary inlet to receive a starting material and an ammonia filtration subassembly, which may include an absorption column configured to absorb the ammonia into water for providing purified hydrogen at a first purity level. The ammonia filtration subassembly may also include an adsorbent member configured to adsorb ammonia from the starting material into an adsorbent for providing purified hydrogen at a second purity level.

Method of removing hydrogen sulphide from hot gas mixtures

Energy Technology Data Exchange (ETDEWEB)

Furimsky, E.; Yumura, M.

1987-12-22

Hydrogen sulphide can be removed from hot gas mixtures by contacting the hot gas mixture at temperatures in the range of 500-900/sup 0/C with an adsorbent consisting of managanese nodules. The nodules may contain additional calcium cations. In sulphided form, the nodules are catalytically active for hydrogen sulphide decomposition to produce hydrogen. Regeneration of the adsorbent can be accomplished by roasting in an oxidizing atmosphere. The nodules can be used to treat gaseous mixtures containing up to 20% hydrogen sulfide, for example, gases produced during pyrolysis, cracking, coking, and hydrotreating processes. Experiments using the processes described in this patent are also outlined. 6 tabs.

Borazine-boron nitride hybrid hydrogen storage system

Science.gov (United States)

Narula, Chaitanya K [Knoxville, TN; Simonson, J Michael [Knoxville, TN; Maya, Leon [Knoxville, TN; Paine, Robert T [Albuquerque, NM

2008-04-22

A hybrid hydrogen storage composition includes a first phase and a second phase adsorbed on the first phase, the first phase including BN for storing hydrogen by physisorption and the second phase including a borazane-borazine system for storing hydrogen in combined form as a hydride.

Influence of adsorbed hydrogen molecules on the hydrogen permeation and recycling

International Nuclear Information System (INIS)

Banno, T.

1987-01-01

Hydrogen permeation through a thin iron membrane has been measured using a molecular hydrogen gas and/or a weakly ionized rf-discharge as particle sources. Transient and steady state values of the permeation flux φ p were obtained in the regime where the surface penetration of H and the recombinative release of H 2 are rate-determining. φ p is then proportional to the flux density ψ of the particles which impinge on the membrane upstream. The proportionality factors depend on the nature (atomic or molecular) of the incident particles, on temperature (in particular for a molecular driving gas) and on the ratio of the surface recombinative release rate constants (2σk r ) u and (2σk r ) d up- and downstream, respectively. (orig.)

Residence time determination for adsorbent beds of different configurations

Energy Technology Data Exchange (ETDEWEB)

Otermat, J.E.; Wikoff, W.O.; Kovach, J.L.

1995-02-01

The residence time calculations of ASME AG-1 Code, Section FC, currently specify a screen surface area method, that is technically incorrect. Test data has been obtained on Type II adsorber trays of different configurations to establish residence time in the adsorber trays. These data indicate that the air volume/carbon volume ratio or the average screen area are more appropriate for the calculation of the residence time calculation than the currently used, smallest screen area basis.

Recovery of high-purity hydrogen from COG

Energy Technology Data Exchange (ETDEWEB)

Tsukiyama, Y

1982-01-01

A general account of the latest trends in the recovery of high-purity hydrogen from coke oven gas (COG), the article being based on both Japanese and overseas literature: 1) Deep-freeze separation: impurities are liquefied and removed. This method make use of the fact that hydrogen is hard to liquefy. 2) The PSA method: high-purity hydrogen is recovered by the adsorption of other constituents at high pressures. This technique makes use of the fact that the adsorption capacity of an adsorbent varies with the partial pressure of the substances being adsorbed. 3) Membrane separation: a permeation separation method that uses a functional polymer separation membrane, and that depends on the fact that hydrogen has a low molecular weight in comparison with the other constituents. (19 refs.) (In Japanese)

Noncatalytic hydrogenation of decene-1 with hydrogen accumulated in a hybrid carbon nanostructure in nanosized membrane reactors

Science.gov (United States)

Soldatov, A. P.

2014-08-01

Studies on the creation of nanosized membrane reactors (NMRs) of a new generation with accumulated hydrogen and a regulated volume of reaction zone were continued at the next stage. Hydrogenation was performed in the pores of ceramic membranes with hydrogen preliminarily adsorbed in mono- and multilayered orientated carbon nanotubes with graphene walls (OCNTGs)—a new hybrid carbon nanostructure formed on the inner pore surface. Quantitative determination of hydrogen adsorption in OCNTGs was performed using TRUMEM ultrafiltration membranes with D av = 50 and 90 nm and showed that hydrogen adsorption was up to ˜1.5% of the mass of OCNTG. The instrumentation and procedure for noncatalytic hydrogenation of decene-1 at 250-350°C using hydrogen accumulated and stored in OCNTG were developed. The conversion of decene-1 into decane was ˜0.2-1.8% at hydrogenation temperatures of 250 and 350°C, respectively. The rate constants and activation energy of hydrogenation were determined. The latter was found to be 94.5 kJ/mol, which is much smaller than the values typical for noncatalytic hydrogenations and very close to the values characteristic for catalytic reactions. The quantitative distribution of the reacting compounds in each pore regarded as a nanosized membrane reactor was determined. The activity of hydrogen adsorbed in a 2D carbon nanostructure was evaluated. Possible mechanisms of noncatalytic hydrogenation were discussed.

Equilibrium and heat of adsorption of diethyl phthalate on heterogeneous adsorbents

Energy Technology Data Exchange (ETDEWEB)

Zhang, W.M.; Xu, Z.W.; Pan, B.C.; Hong, C.H.; Jia, K.; Jiang, P.J.; Zhang, Q.J.; Pan, B.J. [Nanjing University, Nanjing (China)

2008-09-15

Removal of phthalate esters from water has been of considerable concern recently. In the present study, the adsorptive removal performance of diethyl phthalate (DEP) from water was investigated with the aminated polystyrene resin (NDA-101) and oxidized polystyrene resin (NDA-702). In addition, the commercial homogeneous polystyrene resin (XAD-4) and acrylic ester resin (Amberlite XAD-7) as well as coal-based granular activated carbon (AC-750) were chosen for comparison. The corresponding equilibrium isotherms are well described by the Freundlich equation and the adsorption capacities for DEP followed the order NDA-702 > NDA-101 > AC-750 > XAD-4 > XAD-7. Analysis of adsorption mechanisms suggested that these adsorbents spontaneously adsorb DEP molecules driven mainly by enthalpy change, and the adsorption process was derived by multiple adsorbent-adsorbate interactions such as hydrogen bonding, {pi}-{pi} stacking, and micropore filling. The information related to the adsorbent surface heterogeneity and the adsorbate-adsorbate interaction was obtained by Do's model. All the results indicate that heterogeneous resins NDA-702 and NDA-101 have excellent potential as an adsorption material for the removal of DEP from the contaminated water.

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.

Containment hydrogen removal system for a nuclear power plant

International Nuclear Information System (INIS)

Callaghan, V.M.; Flynn, E.P.; Pokora, B.M.

1984-01-01

A hydrogen removal system (10) separates hydrogen from the containment atmosphere of a nuclear power plant using a hydrogen permeable membrane separator (30). Water vapor is removed by condenser (14) from a gas stream withdrawn from the containment atmosphere. The gas stream is then compressed by compressor (24) and cooled (28,34) to the operating temperature of the hydrogen permeable membrane separator (30). The separator (30) separates the gas stream into a first stream, rich in hydrogen permeate, and a second stream that is hydrogen depleted. The separated hydrogen is passed through a charcoal adsorber (48) to adsorb radioactive particles that have passed through the hydrogen permeable membrane (44). The hydrogen is then flared in gas burner (52) with atmospheric air and the combustion products vented to the plant vent. The hydrogen depleted stream is returned to containment through a regenerative heat exchanger (28) and expander (60). Energy is extracted from the expander (60) to drive the compressor (24) thereby reducing the energy input necessary to drive the compressor (24) and thus reducing the hydrogen removal system (10) power requirements

Growth and hydrogenation of ultra-thin Mg films on Mo(111)

DEFF Research Database (Denmark)

Ostenfeld, Christopher Worsøe; Davies, Jonathan Conrad; Vegge, Tejs

2005-01-01

. Hydrogen cannot be adsorbed on magnesium films under UHV conditions. However, when evaporating Mg in a hydrogen background, a hydrogen overlayer is seen to adsorb at the Mg surface, due to the catalytic interaction with the Mo(1 1 1) substrate and subsequent spill-over. We show that two monolayers of Mg......The growth and hydrogenation of ultra-thin magnesium overlayers have been investigated on a Mo(1 1 1) single crystal substrate. For increasing magnesium coverages we observe intermediate stages in the TPD and LEISS profiles, which illustrate the transition from one monolayer to multilayer growth...

Technical Analysis of Projects Being Funded by the DOE Hydrogen Program

Energy Technology Data Exchange (ETDEWEB)

Edward G. Skolnik

2006-02-10

In July 2000, Energetics began a project in which we performed site-visit based technical analyses or evaluations on hydrogen R&D projects for the purpose of providing in-depth information on the status and accomplishments of these projects to the public, and especially to hydrogen stakeholders. Over a three year period, 32 site-visit analyses were performed. In addition two concepts gleaned from the site visits became subjects of in depth techno-economic analyses. Finally, Energetics produced a compilation document that contains each site-visit analysis that we have performed, starting in 1996 on other contracts through the end of Year One of the current project (July 2001). This included 21 projects evaluated on previous contracts, and 10 additional ones from Year One. Reports on projects visited in Years One and Two were included in their respective Annual Reports. The Year Two Report also includes the two In-depth Analyses and the Compilation document. Reports in Year three began an attempt to perform reviews more geared to hydrogen safety. This Final Report contains a summary of the overall project, all of the 32 site-visit analyses and the two In-depth Analyses.

Benzene adsorption and hydrogenation on Pd-Ru alloy by pulse chromatography

International Nuclear Information System (INIS)

Dobrokhotov, V.G.; Pavlova, L.F.; Gryaznov, V.M.

1983-01-01

Pulse chromatography has been applied to investigate benzene adsorption and hydrogenation on the Walls of a capillary of the Pd-6% Ru alloy at different hydrogen contents in the alloy and various methods of hydrogen supply: as a mixture with benzene vapors or by diffusion through the walls of the capillary. It is stated that reversible adsorption of benzene vapors on the Pd-6% Ru alloy at 303 K under the conditions of the β-phase existence in the alloy-hydrogen system does not change whereas in the region of the α-phase existence it slightly increases with a growth of hydrogen pressure. Strongly adsorbed benzene occupies approximately 7% of the surface. Only strongly adsorbed benzene is hydrogenated on the α-phase of the alloy-hydrogen system. Hydrogen supply to the hydrogenation zone by diffusion throUgh the alloy results in supersaturation of the surface active in the reaction of benzene hydrogenation with a chemisorbed hydrogen form

Photochemical hydrogen production system

International Nuclear Information System (INIS)

Copeland, R.J.

1990-01-01

Both technical and economic factors affect the cost of producing hydrogen by photochemical processes. Technical factors include the efficiency and the capital and operating costs of the renewable hydrogen conversion system; economic factors include discount rates, economic life, credit for co-product oxygen, and the value of the energy produced. This paper presents technical and economic data for a system that generates on-peak electric power form photochemically produced hydrogen

Kinetics, isotope effects, and mechanism for the hydrogenation of carbon monoxide on supported nickel catalysts

International Nuclear Information System (INIS)

Mori, T.; Masuda, H.; Imai, H.; Miyamoto, A.; Baba, S.; Murakami, Y.

1982-01-01

Kinetics and hydrogen-deuterium isotope effects in the methanation of adsorbed CO molecules on a Ni/SiO 2 catalyst were precisely measured by using pulse surface reaction rate analysis (PSRA). When a CO pulse was injected into flowing hydrogen, it was immediately adsorbed on the catalyst and gradually hydrogenated to CH 4 and H 2 O. The amounts of CH 4 and H 2 O produced by the hydrogenation of the adsorbed CO were determined up to various times, and it was found that CH 4 and H 2 O were produced at the same rate. When O 2 instead of CO was injected, H 2 O was immediately produced. From these results, the rate-determining step of the reaction was found to be C-O bond dissociation of an adsorbed CO molecule or a partially hydrogenated CO species. By PSRA, the rate constant for the C-O bond dissocition process per adsorbed CO molecule (k/sub H/) was determined at various temperatures, and the Arrhenius parameters of the rate constant were obtained. The rate constant in flowing deuterium (k/sub D/) was also determined. it was found that k/sub D/ is considerably larger than k/sub H/, indicating an inverse isotope effect. The average value of k/sub H//k/sub D/ was 0.75. From these results, it was concluded that adsorbed CO is not directly dissociated to surface carbon and oxygen atoms but it is partially hydrogenated before C-O bond dissociation under the conditions of the PSRA experiment. 8 figures

Modeling of the thermal effects of hydrogen adsorption on activated carbon

International Nuclear Information System (INIS)

Richard, M.-A.; Chahine, R.

2006-01-01

'Full text:' Heat management is one of the most critical issues for the design of efficient adsorption-based storage of hydrogen. We present simulations of mass and energy balance for hydrogen and nitrogen adsorption on activated carbon over wide temperature and pressure ranges. First, the Dubinin-Astakhov (DA) model is adapted to model excess hydrogen and nitrogen adsorption isotherms at high pressures and supercritical temperatures assuming a constant microporous adsorption volume. The five parameter modified D-A adsorption model is shown to fit the experimental data over the temperature range (35 K-293 K) for hydrogen and (93 K-298 K) for nitrogen and pressure range (0-6 MPa) within the experimental uncertainties of the measurement system. We derive the thermodynamic properties of the adsorbed phase from this analytical expression of the measured data. The mass and energy rate balance equations in a microporous adsorbent/adsorbate system are then presented and validated with nitrogen desorption experiments. Finally, simulations of adiabatic and isothermal filling of adsorption-based hydrogen storage are presented and discussed. (author)

Spin currents and filtering behavior in zigzag graphene nanoribbons with adsorbed molybdenum chains

International Nuclear Information System (INIS)

García-Fuente, A; Gallego, L J; Vega, A

2015-01-01

By means of density-functional-theoretic calculations, we investigated the structural, electronic and transport properties of hydrogen-passivated zigzag graphene nanoribbons (ZGNRs) on which a one-atom-thick Mo chain was adsorbed (with or without one or two missing atoms), or in which the passivating hydrogen atoms were replaced by Mo atoms. Mo-passivated ZGNRs proved to be nonmagnetic. ZGNRs with an adsorbed defect-free Mo chain were most stable with the Mo atoms forming dimers above edge bay sites, which suppressed the magnetic moments of the C atoms in that half of the ribbon; around the Fermi level of these systems, each spin component had a transmission channel via the Mo sp z band and one had an additional channel created by polarization of the ZGNR π * band, leading to a net spin current. The absence of an Mo dimer from an Mo chain adsorbed at the ZGNR edge made the system a perfect spin filter at low voltage bias by suppressing the Mo sp z band channels. Thus this last kind of hybrid system is a potential spin valve. (paper)

Enhanced Hydrogen Dipole Physisorption, Final Report

Energy Technology Data Exchange (ETDEWEB)

Ahn, Channing [California Inst. of Technology (CalTech), Pasadena, CA (United States)

2014-01-03

The hydrogen gas adsorption effort at Caltech was designed to probe and apply our understanding of known interactions between molecular hydrogen and adsorbent surfaces as part of a materials development effort to enable room temperature storage of hydrogen at nominal pressure. The work we have performed over the past five years has been tailored to address the outstanding issues associated with weak hydrogen sorbent interactions in order to find an adequate solution for storage tank technology.

Cryogenic adsorption of low-concentration hydrogen on charcoal, 5A molecular sieve, sodalite, ZSM-5 and Wessalith DAY

International Nuclear Information System (INIS)

Willms, R.S.

1993-01-01

The separation of low-concentration hydrogen isotopes from helium is a processing step that is required for ceramic lithium breeding blanket processing. Cryogenic adsorption is one method of effecting this separation. In this study live adsorbents were considered for this purpose: charcoal, 5A molecular sieve, UOP S-115, ZSM-5 and Wessalith DAY. The first two adsorbents exhibit good equilibrium loadings and are shown to be quite effective at adsorbing low-concentration hydrogen isotopes. The latter three adsorbents display considerably lower equilibrium loadings. This study concludes that by using either charcoal or 5A molecular sieve, cryogenic adsorption would be an effective means of separating hydrogen isotopes from helium

Thermal design and technical economical and environmental analyses of a hydrogen fired multi-objective cogeneration system

International Nuclear Information System (INIS)

Durmaz, A; Yilmazoglu, M. Z.; Pasoglu, A.

2007-01-01

Approximately 85% of rapidly increasing world energy demand is supplied by fossil fuels. Extreme usage of fossil fuels causes serious global warming and environmental problems in form of air, soil and water pollutions. The period, in which fossil fuel reserves are decreasing, energy costs are increasing rapidly and new energy sources and technologies do not exist on the horizon, can be called as the expensive and critical energy period. Hydrogen becomes a matter of primary importance as a candidate energy source and carrier in the critical energy period and beyond to solve the energy and environmental problems radically. In this respect, the main obstacle for the use of hydrogen is the high cost of hydrogen production, which is expected to be decreased in the feature. The aim of this study is to examine how hydrogen energy will be able to be integrated with the existing energy substructure with technical and economical dimensions. In this sense, a multi objective hydrogen fired gas turbine cogeneration system is designed and optimized. Technical and economical analyses depending on the load conditions and different hydrogen production cost are carried out. It is possible that the co-generated heat is to be marketed for residence and industrial plants in the surrounding at or under market prices. The produced electricity however can only be sold to the public grid at a high unit support price which is only obtainable in case of the development of new energy technologies. This price should however be kept within the nowadays supportable energy price range. The main mechanism to be used during the design stage of the system to achieve this goal is to decrease the amortization and operational costs which lead to decrease investment and fuel costs and to increase the system load factor and co-generated heat revenues

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

Energy Technology Data Exchange (ETDEWEB)

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

1979-08-01

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

Hydrogen Storage using Physisorption : Modified Carbon Nanofibers and Related Materials

NARCIS (Netherlands)

Nijkamp, Marije Gessien

2002-01-01

This thesis describes our research on adsorbent systems for hydrogen storage for small scale, mobile application. Hydrogen storage is a key element in the change-over from the less efficient and polluting internal combustion engine to the pollution-free operating hydrogen fuel cell. In general,

Hydrogen energy

International Nuclear Information System (INIS)

2005-03-01

This book consists of seven chapters, which deals with hydrogen energy with discover and using of hydrogen, Korean plan for hydrogen economy and background, manufacturing technique on hydrogen like classification and hydrogen manufacture by water splitting, hydrogen storage technique with need and method, hydrogen using technique like fuel cell, hydrogen engine, international trend on involving hydrogen economy, technical current for infrastructure such as hydrogen station and price, regulation, standard, prospect and education for hydrogen safety and system. It has an appendix on related organization with hydrogen and fuel cell.

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.

Internal dosimetry of tritiated hydrogen gas

International Nuclear Information System (INIS)

Peterman, B.F.; Johnson, J.R.; Dunford, D.W.; McElroy, R.G.C.

1985-02-01

This document is a report on experiments to quantify the doses that may occur from the tritium gas that is converted 'in vivo' to tritiated water following the exposure to tritiated hydrogen gas contaminated air. This report also includes theoretical evaluation of the radiological hazards from the uptake through skin of tritium from tritiated hydrogen adsorbed on surfaces

Methodology for assessing the safety of Hydrogen Systems: HyRAM 1.1 technical reference manual

Energy Technology Data Exchange (ETDEWEB)

Groth, Katrina; Hecht, Ethan; Reynolds, John Thomas; Blaylock, Myra L.; Erin E. Carrier

2017-03-01

The HyRAM software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen infrastructure and transportation systems. HyRAM is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of hydrogen safety, hazards, and risk. HyRAM is envisioned as a unifying platform combining validated, analytical models of hydrogen behavior, a stan- dardized, transparent QRA approach, and engineering models and generic data for hydrogen installations. HyRAM is being developed at Sandia National Laboratories for the U. S. De- partment of Energy to increase access to technical data about hydrogen safety and to enable the use of that data to support development and revision of national and international codes and standards. This document provides a description of the methodology and models contained in the HyRAM version 1.1. HyRAM 1.1 includes generic probabilities for hydrogen equipment fail- ures, probabilistic models for the impact of heat flux on humans and structures, and computa- tionally and experimentally validated analytical and first order models of hydrogen release and flame physics. HyRAM 1.1 integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hydrogen hazards (thermal effects from jet fires, overpressure effects from deflagrations), and assessing impact on people and structures. HyRAM is a prototype software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals.

Transporting method for adsorbing tower and the adsorbing tower

International Nuclear Information System (INIS)

Shimokawa, Nobuhiro.

1996-01-01

A cylindrical plastic bag is disposed to the upper surface of an adsorbing tower so as to surround a suspending piece. One opening of the bag is sealed, and other opening is secured in a sealed state to a bag holding portion disposed to glove box at a gate for the adsorbing tower box. The adsorbing tower is transported into the glove box, and after the completion of the operation of the adsorbing tower, the adsorbing tower is taken out in a state that the bag is restricted and sealed at a portion below the adsorbing tower. The bag may be made of a vinyl plastic, the bag holding portion may be a short-cylindrical protrusion, and may have an O-ring groove at the outer surface. Even if the adsorbing tower is heavy, the adsorbing tower can be carried out easily in a state where it is sealed gas tightly. (N.H.)

Cathodic over-potential and hydrogen partial pressure coupling in hydrogen evolution reaction of marine steel under hydrostatic pressure

International Nuclear Information System (INIS)

Xiong, X.L.; Zhou, Q.J.; Li, J.X.; Volinsky, Alex A.; Su, Y.J.

2017-01-01

Highlights: •Hydrostatic pressure increases the Volmer and the Heyrovsky reactions rates. •Hydrostatic pressure decreases the Tafel reaction rate. •Hydrogen adsorption conditions change with pressure under −1.2 and −1.3 V SSE . •Under −1.2 and −1.3 V SSE , the Heyrovsky reaction dominates the hydrogen recombination. •Under −1.0 and −1.1 V SSE , the Tafel reaction dominates the hydrogen recombination. -- Abstract: A new electrochemical impedance spectroscopy (EIS) model, which considers both the Tafel recombination and the Heyrovsky reaction under permeable boundary conditions, was developed to characterize the kinetic parameters of the hydrogen evolution reaction (HER) under hydrostatic pressure. The effect of the hydrostatic pressure on the kinetic parameters of the HER and the permeation of A514 steel in alkaline solution were measured using potentiodynamic polarization, the Devanathan cell hydrogen permeation, and EIS. The hydrostatic pressure accelerates the Volmer reaction and inhibits the Tafel recombination, which increases the number of adsorbed hydrogen atoms. On the other hand, the pressure accelerates the Heyrovsky reaction, which decreases the amount of adsorbed hydrogen atoms. At 10 to 40 MPa hydrostatic pressure within the −1.0 to −1.1 V SSE cathodic potential region, the HER is controlled by hydrogen partial pressure, and hydrogen adsorption is the Langmuir type. Within the −1.2 to −1.3 V SSE cathodic potential region, the HER is controlled by the potential, and hydrogen adsorption gradually transfers from the Langmuir type to the Temkin type with increasing hydrostatic pressure.

Hydrogen storage by physisorption on porous materials

Energy Technology Data Exchange (ETDEWEB)

Panella, B

2006-09-13

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

Hydrogen storage by physisorption on porous materials

Energy Technology Data Exchange (ETDEWEB)

Panella, B.

2006-09-13

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

Radioactive diffusion gaseous probe technique for study adsorbent structure inhomogeneity

International Nuclear Information System (INIS)

Zyuzin, A.Yu.; Korobkov, V.I.; Bekman, I.N.

1990-01-01

One of the versions of the method of diffusion gaseous probe - method of longitudinal shear in combination with autoradiography (ARG) - was used for characterising sorbents and catalysts, which are considered to be promising for reprocessing of sulfur-containing natural gases. Hydrogen sulfide, labelled with 35 S was used as diffusion radioactive probe. Zeolite granules of 4A type and granulated adsorbents on the basis of CR and AM aluminium oxides, which are industrial catalysts of Clauss reaction developed at SNEA company, were used as objects under investigation. It is shown that technique for fabrication of 4A zeolite granules leads to asymmetrical pore distribution over the granule diameter. Technique for AM granule fabrication leads to occuRrence of local inhomogeneities of the structure in the form of narrow coaxial rings with decreased or increased local adsorption ability. Granules of adsorbent of CR type are characterized by rather homogeneous structure. It is recommended to use the mentioned method for industrial adsorbent diagnosis

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.

The US Department of Energy hydrogen baseline survey: assessing knowledge and opinions about hydrogen technology

International Nuclear Information System (INIS)

Christy Cooper; Tykey Truett; R L Schmoyer

2006-01-01

To design and maintain its education program, the United States Department of Energy (DOE) Hydrogen Program conducted a statistically-valid national survey to measure knowledge and opinions of hydrogen among key target audiences. The Hydrogen Baseline Knowledge Survey provides a reference for designing the DOE hydrogen education strategy and will be used in comparisons with future surveys to measure changes in knowledge and opinions over time. The survey sampled four U.S. populations: (1) public; (2) students; (3) state and local government officials; and (4) potential large-scale hydrogen end-users in three business categories. Questions measured technical understanding of hydrogen and opinions about hydrogen safety. Other questions assessed visions of the likelihood of future hydrogen applications and sources of energy information. Several important findings were discovered, including a striking lack of technical understanding across all survey groups, as well as a strong correlation between technical knowledge and opinions about safety: those who demonstrated an understanding of hydrogen technologies expressed the least fear of its safe use. (authors)

The state of physically adsorbed substances in microporous adsorbents

International Nuclear Information System (INIS)

Fomkin, A.A.

1987-01-01

Xe, Kr, Ar, CF 3 Cl, CH 4 adsorption in NaX microporous zeolite of 0.98 Na 2 OxAl 2 O 3 x2.36SiO 2 x0.02H 2 O is studied. Some properties of adsorbates (density, coefficients of expansion, enthalpy, heat capacity) are determined and discussed. The adsorbate in the microporous adsorbent is shown to be a particular state of a substance. Liniarity of adsorption isosteres and sharp changes during isosteric heat capacity of the adsorbate points to the fact that in microporous adsorbents phase transformations of the second type are possible

Adsorption process to recover hydrogen from feed gas mixtures having low hydrogen concentration

Science.gov (United States)

Golden, Timothy Christopher; Weist, Jr., Edward Landis; Hufton, Jeffrey Raymond; Novosat, Paul Anthony

2010-04-13

A process for selectively separating hydrogen from at least one more strongly adsorbable component in a plurality of adsorption beds to produce a hydrogen-rich product gas from a low hydrogen concentration feed with a high recovery rate. Each of the plurality of adsorption beds subjected to a repetitive cycle. The process comprises an adsorption step for producing the hydrogen-rich product from a feed gas mixture comprising 5% to 50% hydrogen, at least two pressure equalization by void space gas withdrawal steps, a provide purge step resulting in a first pressure decrease, a blowdown step resulting in a second pressure decrease, a purge step, at least two pressure equalization by void space gas introduction steps, and a repressurization step. The second pressure decrease is at least 2 times greater than the first pressure decrease.

STUDY OF HYDROGEN SULFIDE REMOVAL FROM GROUNDWATER

Directory of Open Access Journals (Sweden)

T. Lupascu

2013-06-01

Full Text Available The process of the hydrogen sulfide removal from the underground water of the Hancesti town has been investigated. By oxygen bubbling through the water containing hydrogen sulfide, from the Hancesti well tube, sulfur is deposited in the porous structure of studied catalysts, which decreases their catalytic activity. Concomitantly, the process of adsorption / oxidation of hydrogen sulfide to sulfate take place. The kinetic research of the hydrogen sulfide removal from the Hancesti underground water, after its treatment by hydrogen peroxide, proves greater efficiency than in the case of modified carbonic adsorbents. As a result of used treatment, hydrogen sulfide is completely oxidized to sulfates

Controlling Hydrogenation of Graphene on Ir(111)

DEFF Research Database (Denmark)

Balog, Richard; Andersen, Mie; Jørgensen, Bjarke

2013-01-01

Combined fast X-ray photoelectron spectroscopy and density functional theory calculations reveal the presence of two types of hydrogen adsorbate structures at the graphene/ Ir(111) interface, namely, graphane-like islands and hydrogen dimer structures. While the former give rise to a periodic...... pattern, dimers tend to destroy the periodicity. Our data reveal distinctive growth rates and stability of both types of structures, thereby allowing one to obtain well-defined patterns of hydrogen clusters. The ability to control and manipulate the formation and size of hydrogen structures on graphene...

Technical Integration of Nuclear Hydrogen Production Technology

International Nuclear Information System (INIS)

Lee, Ki Young; Chang, J. H.; Park, J. K.

2007-06-01

These works focus on the development of attainment indices for nuclear hydrogen key technologies, the analysis of the hydrogen production process and the performance estimation for hydrogen production system, and the assessment of the nuclear hydrogen production economy. To estimate the attainments of the key technologies in progress with the performance goals of GIF, itemized are the attainment indices based on SRP published in VHTR R and D steering committee of Gen-IV. For assessing the degree of attainments in comparison with the final goals of VHTR technologies in progress of researches, subdivided are the prerequisite items conformed to the NHDD concepts established in a preconceptual design in 2005. The codes for analyzing the hydrogen production economy are developed for calculating the unit production cost of nuclear hydrogen. We developed basic R and D quality management methodology to meet design technology of VHTR's needs. By putting it in practice, we derived some problems and solutions. We distributed R and D QAP and Q and D QAM to each teams and these are in operation. Computer simulations are performed for estimating the thermal efficiency for the electrodialysis component likely to adapting as one of the hydrogen production system in Korea and EED-SI process known as the key components of the hydrogen production systems. Using the commercial codes, the process diagrams and the spread-sheets were produced for the Bunsen reaction process, Sulphuric Acid dissolution process and HI dissolution process, respectively, which are the key components composing of the SI process

Technical Analysis of the Hydrogen Energy Station Concept, Phase I and Phase II

Energy Technology Data Exchange (ETDEWEB)

TIAX, LLC

2005-05-04

patterns would be most viable for an energy station, TIAX developed several criteria for selecting a representative set of technology configurations. TIAX applied these criteria to all possible technology configurations to determine an optimized set for further analysis, as shown in Table ES-1. This analysis also considered potential energy station operational scenarios and their impact upon hydrogen and power production. For example, an energy station with a 50-kWe reformer could generate enough hydrogen to serve up to 12 vehicles/day (at 5 kg/fill) or generate up to 1,200 kWh/day, as shown in Figure ES-1. Buildings that would be well suited for an energy station would utilize both the thermal and electrical output of the station. Optimizing the generation and utilization of thermal energy, hydrogen, and electricity requires a detailed look at the energy transfer within the energy station and the transfer between the station and nearby facilities. TIAX selected the Baseline configuration given in Table ES-1 for an initial analysis of the energy and mass transfer expected from an operating energy station. Phase II The purpose of this technical analysis was to analyze the development of a hydrogen-dispensing infrastructure for transportation applications through the installation of a 50-75 kW stationary fuel cell-based energy station at federal building sites. The various scenarios, costs, designs and impacts of such a station were quantified for a hypothetical cost-shared program that utilizes a natural gas reformer to provide hydrogen fuel for both the stack(s) and a limited number of fuel cell powered vehicles, with the possibility of using cogeneration to support the building heat load.

Effect of hydrogen coverage on hydrogenation of o-cresol on Pt(111)

Science.gov (United States)

Li, Yaping; Liu, Zhimin; Crossley, Steven P.; Jentoft, Friederike C.; Wang, Sanwu

2018-06-01

The conversion of phenolics over metal catalysts is an important process for upgrading biofuels. With density functional calculations, hydrogenation of o-cresol on the hydrogen-covered Pt(111) surface was investigated. The results show that the coverage of hydrogen plays a significant role in the reaction rate while it does not affect the reaction selectivity. The reaction barriers of the hydrogenation process leading to the formation of both 2-methyl-cyclohexanone (the intermediate product) and 2-methyl-cyclohexanol (the final product) at high H coverages (∼1 ML) are found to be smaller by 0.14-0.69 eV than those at lower H coverages (∼1/25 ML). After both hydrogen and cresol are adsorbed on Pt(111) from their initial gas phase state, the reaction energy of each hydrogenation step on the surface is also dependent on the hydrogen coverage. On the H-covered Pt(111) surface, most steps of hydrogenation involve exothermic reactions when the hydrogen coverage is high while they are endothermic reactions at low hydrogen coverages. The differences in reaction rate and reaction energy between high and low H coverages can be understood with the coverage-dependent bonding strength and configurations.

Direct observation and modelling of ordered hydrogen adsorption and catalyzed ortho-para conversion on ETS-10 titanosilicate material.

Science.gov (United States)

Ricchiardi, Gabriele; Vitillo, Jenny G; Cocina, Donato; Gribov, Evgueni N; Zecchina, Adriano

2007-06-07

Hydrogen physisorption on porous high surface materials is investigated for the purpose of hydrogen storage and hydrogen separation, because of its simplicity and intrinsic reversibility. For these purposes, the understanding of the binding of dihydrogen to materials, of the structure of the adsorbed phase and of the ortho-para conversion during thermal and pressure cycles are crucial for the development of new hydrogen adsorbents. We report the direct observation by IR spectroscopic methods of structured hydrogen adsorption on a porous titanosilicate (ETS-10), with resolution of the kinetics of the ortho-para transition, and an interpretation of the structure of the adsorbed phase based on classical atomistic simulations. Distinct infrared signals of o- and p-H2 in different adsorbed states are measured, and the conversion of o- to p-H2 is monitored over a timescale of hours, indicating the presence of a catalyzed reaction. Hydrogen adsorption occurs in three different regimes characterized by well separated IR manifestations: at low pressures ordered 1:1 adducts with Na and K ions exposed in the channels of the material are formed, which gradually convert into ordered 2:1 adducts. Further addition of H2 occurs only through the formation of a disordered condensed phase. The binding enthalpy of the Na+-H2 1:1 adduct is of -8.7+/-0.1 kJ mol(-1), as measured spectroscopically. Modeling of the weak interaction of H2 with the materials requires an accurate force field with a precise description of both dispersion and electrostatics. A novel three body force field for molecular hydrogen is presented, based on the fitting of an accurate PES for the H2-H2 interaction to the experimental dipole polarizability and quadrupole moment. Molecular mechanics simulations of hydrogen adsorption at different coverages confirm the three regimes of adsorption and the structure of the adsorbed phase.

Hydrogen generation utilizing integrated CO2 removal with steam reforming

Science.gov (United States)

Duraiswamy, Kandaswamy; Chellappa, Anand S

2013-07-23

A steam reformer may comprise fluid inlet and outlet connections and have a substantially cylindrical geometry divided into reforming segments and reforming compartments extending longitudinally within the reformer, each being in fluid communication. With the fluid inlets and outlets. Further, methods for generating hydrogen may comprise steam reformation and material adsorption in one operation followed by regeneration of adsorbers in another operation. Cathode off-gas from a fuel cell may be used to regenerate and sweep the adsorbers, and the operations may cycle among a plurality of adsorption enhanced reformers to provide a continuous flow of hydrogen.

Modeling adsorption: Investigating adsorbate and adsorbent properties

Science.gov (United States)

Webster, Charles Edwin

1999-12-01

Surface catalyzed reactions play a major role in current chemical production technology. Currently, 90% of all chemicals are produced by heterogeneously catalyzed reactions. Most of these catalyzed reactions involve adsorption, concentrating the substrate(s) (the adsorbate) on the surface of the solid (the adsorbent). Pore volumes, accessible surface areas, and the thermodynamics of adsorption are essential in the understanding of solid surface characteristics fundamental to catalyst and adsorbent screening and selection. Molecular properties such as molecular volumes and projected molecular areas are needed in order to convert moles adsorbed to surface volumes and areas. Generally, these molecular properties have been estimated from bulk properties, but many assumptions are required. As a result, different literature values are employed for these essential molecular properties. Calculated molar volumes and excluded molecular areas are determined and tabulated for a variety of molecules. Molecular dimensions of molecules are important in the understanding of molecular exclusion as well as size and shape selectivity, diffusion, and adsorbent selection. Molecular dimensions can also be used in the determination of the effective catalytic pore size of a catalyst. Adsorption isotherms, on zeolites, (crystalline mineral oxides) and amorphous solids, can be analyzed with the Multiple Equilibrium Analysis (MEA) description of adsorption. The MEA produces equilibrium constants (Ki), capacities (ni), and thermodynamic parameters (enthalpies, ΔHi, and entropies, ΔSi) of adsorption for each process. Pore volumes and accessible surface areas are calculated from the process capacities. Adsorption isotherms can also be predicted for existing and new adsorbate-adsorbent systems with the MEA. The results show that MEA has the potential of becoming a standard characterization method for microporous solids that will lead to an increased understanding of their behavior in gas

PNNL Development and Analysis of Material-Based Hydrogen Storage Systems for the Hydrogen Storage Engineering Center of Excellence

Energy Technology Data Exchange (ETDEWEB)

Brooks, Kriston P. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Alvine, Kyle J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Johnson, Kenneth I. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Klymyshyn, Nicholas A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Pires, Richard P. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Ronnebro, Ewa [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Simmons, Kevin L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Weimar, Mark R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Westman, Matthew P. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2016-02-29

The Hydrogen Storage Engineering Center of Excellence is a team of universities, industrial corporations, and federal laboratories with the mandate to develop lower-pressure, materials-based, hydrogen storage systems for hydrogen fuel cell light-duty vehicles. Although not engaged in the development of new hydrogen storage materials themselves, it is an engineering center that addresses engineering challenges associated with the currently available hydrogen storage materials. Three material-based approaches to hydrogen storage are being researched: 1) chemical hydrogen storage materials 2) cryo-adsorbents, and 3) metal hydrides. As a member of this Center, Pacific Northwest National Laboratory (PNNL) has been involved in the design and evaluation of systems developed with each of these three hydrogen storage materials. This report is a compilation of the work performed by PNNL for this Center.

Radioactive gas and hydrogen removal after a LOCE at the LOFT Facility

International Nuclear Information System (INIS)

McCormick-Barger, J.W.; Sumpter, K.C.

1979-01-01

The use of a silver-zeolite halogen adsorber placed in series with a hydrogen catalytic recombiner and a cryogenic noble gas adsorber assembly constitutes a waste gas processing system (WGPS) capable of handling hydrogen and fission product gases following a Loss-of-Coolant Experiment (LOCE). This paper describes: the types and quantities of gases expected to be found at the facility after a failed-fuel LOCE; the purpose of the WGPS; and the general configuration and expected decontamination factors associated with the LOFT WGPS

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.

Recovery of iron oxides from acid mine drainage and their application as adsorbent or catalyst.

Science.gov (United States)

Flores, Rubia Gomes; Andersen, Silvia Layara Floriani; Maia, Leonardo Kenji Komay; José, Humberto Jorge; Moreira, Regina de Fatima Peralta Muniz

2012-11-30

Iron oxide particles recovered from acid mine drainage represent a potential low-cost feedstock to replace reagent-grade chemicals in the production of goethite, ferrihydrite or magnetite with relatively high purity. Also, the properties of iron oxides recovered from acid mine drainage mean that they can be exploited as catalysts and/or adsorbents to remove azo dyes from aqueous solutions. The main aim of this study was to recover iron oxides with relatively high purity from acid mine drainage to act as a catalyst in the oxidation of dye through a Fenton-like mechanism or as an adsorbent to remove dyes from an aqueous solution. Iron oxides (goethite) were recovered from acid mine drainage through a sequential precipitation method. Thermal treatment at temperatures higher than 300 °C produces hematite through a decrease in the BET area and an increase in the point of zero charge. In the absence of hydrogen peroxide, the solids adsorbed the textile dye Procion Red H-E7B according to the Langmuir model, and the maximum amount adsorbed decreased as the temperature of the thermal treatment increased. The decomposition kinetics of hydrogen peroxide is dependent on the H(2)O(2) concentration and iron oxides dosage, but the second-order rate constant normalized to the BET surface area is similar to that for different iron oxides tested in this and others studies. These results indicate that acid mine drainage could be used as a source material for the production of iron oxide catalysts/adsorbents, with comparable quality to those produced using analytical-grade reagents. Copyright © 2012 Elsevier Ltd. All rights reserved.

Hydrogen-induced metallicity and strengthening of MoS{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Yakovkin, I.N., E-mail: yakov@iop.kiev.ua; Petrova, N.V.

2014-04-15

Highlights: • Hydrogen inserted into MoS{sub 2} bilayers increases the interlayer interaction. • Adsorbed or intercalated H monolayer makes the surface metallic. • Fermi surface of the H/MoS{sub 2} shows a significant nesting. - Abstract: The performed DFT calculations for MoS{sub 2} layers with adsorbed and intercalated hydrogen indicate that the atomic hydrogen monolayer makes the surface metallic. The physisorbed H{sub 2} does not affect electronic properties of the MoS{sub 2} monolayer, which remains a direct gap semiconductor. Due to forming S–H–S bonds, hydrogen atoms, intercalated into the space between MoS{sub 2} layers, increase the interlayer interaction from 0.12 eV to 0.60 eV. The related increase of the stiffness of the Mo–H–Mo layered system is of a primary importance for the interpretation of images of the surface obtained with the Ultrasonic Force Microscopy (Kolosov and Yamanaka, 1993) [42].

The hydrogen resource. Productive, technical and economic analysis

International Nuclear Information System (INIS)

De Fronzo, G.

2000-01-01

Diffusion of hydrogen as an energetic vector meets with a lot of obstacles that don't depend on available raw material, but on hydrogen combination with other elements. It is necessary, therefore, to separate hydrogen picking out the available different technologies to have different pure hydrogen of variable quantities. Besides, its diffusion as fuel is limited because of the great production cost compared to fuels sprung from petroleum. Hydrogen used on a large scale could have advantages on the environment and occupation, but there are economic and politic obstacles to limit its diffusion. Future of economic system, based on hydrogen as the main energetic vector, will depend on the programme that national and international qualified governing bodies will be able to do [it

Study of the chemisorption and hydrogenation of propylene on platinum by temperature-programed desorption

Energy Technology Data Exchange (ETDEWEB)

Tsuchiya, S.; Nakamura, M.; Yoshioka, N.

1978-01-01

Temperature-programed desorption (TPD) chromotograms of propylene adsorbed on platinum black in the absence or presence of hydrogen preadsorbed, admitted simultaneously, or admitted later, all showed four peaks at about 260/sup 0/ (A), 380/sup 0/ (B), 570/sup 0/ (C), and higher than 720/sup 0/K (D). Peaks A and B were identified as mixtures of propylene and propane, and peaks C and D were methane formed by thermal decomposition of the chemisorbed propylene during desorption. When nitrogen rather than helium was used as the carrier gas for the TPD, only delta-hydrogen was observed; this suggested that propylene was more strongly adsorbed on the platinum than hydrogen. Studies of the reactivities with propylene of the various types of chemisorbed hydrogen previously detected by TPD showed that propylene reacted with ..gamma..-hydrogen present on the surface in the form of hydrogen atoms chemisorbed on top of platinum atoms and with ..beta..-hydrogen, molecular hydrogen chemisorbed in a bridged form, but did not react with delta-hydrogen. Tables and graph.

Hydrogen energy systems studies

Energy Technology Data Exchange (ETDEWEB)

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

1995-09-01

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

Detection of hydrogen peroxide with graphyne

Science.gov (United States)

Majidi, R.; Karami, A. R.

2013-12-01

The effect of hydrogen peroxide on the electronic properties of graphyne has been investigated to explore the possibility of using graphyne based biosensor. We have used density functional theory to study the electronic properties of γ-graphyne in the presence of different number of hydrogen peroxide. The optimal adsorption position, orientation, and distance of hydrogen peroxide adsorbed on the graphyne sheet have been determined by calculating adsorption energy. It is found that γ-graphyne which is an intrinsic semiconductor becomes an n-type semiconductor due to the presence of hydrogen peroxide. The energy band gap of γ-graphyne is decreased by increasing the number of hydrogen peroxide. The results demonstrate that γ-graphyne is a promising candidate for biosensor application because of its electrical sensitivity to hydrogen peroxide.

Adsorbent Alkali Conditioning for Uranium Adsorption from Seawater. Adsorbent Performance and Technology Cost Evaluation

International Nuclear Information System (INIS)

Tsouris, Costas; Mayes, Richard T.; Janke, Christopher James; Dai, Sheng; Das, S.; Liao, W.P.; Kuo, Li-Jung; Wood, Jordana; Gill, Gary; Byers, Maggie Flicker; Schneider, Eric

2015-01-01

The Fuel Resources program of the Fuel Cycle Research and Development program of the Office of Nuclear Energy (NE) is focused on identifying and implementing actions to assure that nuclear fuel resources are available in the United States. An immense source of uranium is seawater, which contains an estimated amount of 4.5 billion tonnes of dissolved uranium. This unconventional resource can provide a price cap and ensure centuries of uranium supply for future nuclear energy production. NE initiated a multidisciplinary program with participants from national laboratories, universities, and research institutes to enable technical breakthroughs related to uranium recovery from seawater. The goal is to develop advanced adsorbents to reduce the seawater uranium recovery technology cost and uncertainties. Under this program, Oak Ridge National Laboratory (ORNL) has developed a new amidoxime-based adsorbent of high surface area, which tripled the uranium capacity of leading Japanese adsorbents. Parallel efforts have been focused on the optimization of the physicochemical and operating parameters used during the preparation of the adsorbent for deployment. A set of parameters that need to be optimized are related to the conditioning of the adsorbent with alkali solution, which is necessary prior to adsorbent deployment. Previous work indicated that alkali-conditioning parameters significantly affect the adsorbent performance. Initiated in 2014, this study had as a goal to determine optimal parameters such as base type and concentration, temperature, and duration of conditioning that maximize the uranium adsorption performance of amidoxime functionalized adsorbent, while keeping the cost of uranium production low. After base-treatment at various conditions, samples of adsorbent developed at ORNL were tested in this study with batch simulated seawater solution of 8-ppm uranium concentration, batch seawater spiked with uranium nitrate at 75-100 ppb uranium, and continuous

Adsorbent Alkali Conditioning for Uranium Adsorption from Seawater. Adsorbent Performance and Technology Cost Evaluation

Energy Technology Data Exchange (ETDEWEB)

Tsouris, Costas [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Mayes, Richard T. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Janke, Christopher James [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Dai, Sheng [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Das, S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Liao, W. -P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kuo, Li-Jung [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Wood, Jordana [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gill, Gary [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Byers, Maggie Flicker [Univ. of Texas, Austin, TX (United States); Schneider, Eric [Univ. of Texas, Austin, TX (United States)

2015-09-30

The Fuel Resources program of the Fuel Cycle Research and Development program of the Office of Nuclear Energy (NE) is focused on identifying and implementing actions to assure that nuclear fuel resources are available in the United States. An immense source of uranium is seawater, which contains an estimated amount of 4.5 billion tonnes of dissolved uranium. This unconventional resource can provide a price cap and ensure centuries of uranium supply for future nuclear energy production. NE initiated a multidisciplinary program with participants from national laboratories, universities, and research institutes to enable technical breakthroughs related to uranium recovery from seawater. The goal is to develop advanced adsorbents to reduce the seawater uranium recovery technology cost and uncertainties. Under this program, Oak Ridge National Laboratory (ORNL) has developed a new amidoxime-based adsorbent of high surface area, which tripled the uranium capacity of leading Japanese adsorbents. Parallel efforts have been focused on the optimization of the physicochemical and operating parameters used during the preparation of the adsorbent for deployment. A set of parameters that need to be optimized are related to the conditioning of the adsorbent with alkali solution, which is necessary prior to adsorbent deployment. Previous work indicated that alkali-conditioning parameters significantly affect the adsorbent performance. Initiated in 2014, this study had as a goal to determine optimal parameters such as base type and concentration, temperature, and duration of conditioning that maximize the uranium adsorption performance of amidoxime functionalized adsorbent, while keeping the cost of uranium production low. After base-treatment at various conditions, samples of adsorbent developed at ORNL were tested in this study with batch simulated seawater solution of 8-ppm uranium concentration, batch seawater spiked with uranium nitrate at 75-100 ppb uranium, and continuous

Resonance studies of H atoms adsorbed on frozen H2 surfaces

International Nuclear Information System (INIS)

Crampton, S.B.

1980-01-01

Observations are reported of the ground state hyperfine resonance of hydrogen atoms stored in a 5 cm. diameter bottle coated with frozen molecular hydrogen. Dephasing of the hyperfine resonance while the atoms are adsorbed produces frequency shifts which vary by a factor of two over the temperature range 3.7 K to 4.6 K and radiative decay rates which vary by a factor of five over this range. The magnitudes and temperature dependences of the frequency shifts and decay rates are consistent with a non-uniform distribution of surface adsorption energies with mean about 38(8) K, in agreement with theoretical estimates for a smooth surface. Extrapolation of the 30 nanosec. mean adsorption times at 4.2 K predicts very long adsorption times for H on H 2 below 1 K. Studies of level population recovery rates provide evidence for surface electron spin exchange collisions between adsorbed atoms with collision duration long compared to the hyperfine period, suggesting that the atoms are partially mobile on the surface. The lowest rates observed for level population recovery set a lower limit of about 500 atom-surface collisions at 4.2 K without recombination

Adsorption of hydrogen gas and redox processes in clays.

Science.gov (United States)

Didier, Mathilde; Leone, Laura; Greneche, Jean-Marc; Giffaut, Eric; Charlet, Laurent

2012-03-20

In order to assess the adsorption properties of hydrogen gas and reactivity of adsorbed hydrogen, we measured H(2)(g) adsorption on Na synthetic montmorillonite-type clays and Callovo-Oxfordian (COx) clayrock using gas chromatography. Synthetic montmorillonites with increasing structural Fe(III) substitution (0 wt %, 3.2 wt %, and 6.4 wt % Fe) were used. Fe in the synthetic montmorillonites is principally present as structural Fe(III) ions. We studied the concomitant reduction of structural Fe(III) in the clays using (57)Fe Mössbauer spectrometry. The COx, which mainly contains smectite/illite and calcite minerals, is also studied together with the pure clay fraction of this clayrock. Experiments were performed with dry clay samples which were reacted with hydrogen gas at 90 and 120 °C for 30 to 45 days at a hydrogen partial pressure close to 0.45 bar. Results indicate that up to 0.11 wt % of hydrogen is adsorbed on the clays at 90 °C under 0.45 bar of relative pressure. (57)Fe Mössbauer spectrometry shows that up to 6% of the total structural Fe(III) initially present in these synthetic clays is reduced upon adsorption of hydrogen gas. No reduction is observed with the COx sample in the present experimental conditions.

Adsorption methods for hydrogen isotope storage on zeolitic sieves

International Nuclear Information System (INIS)

Cristescu, Ioana; Cristescu, Ion; Vasut, F.; Brad, S.; Lazar, A.

2001-01-01

For hydrogen isotope separation, adsorption molecular sieves and active carbon were used. Adsorption process proceeds at liquid nitrogen and liquid hydrogen temperatures. Commercial zeolites have the same proprieties with natural zeolites, but they have a regular pore structure. They also have affinity for molecules of different size with defined shapes. Experimental results obtained at liquid nitrogen temperature (77.4 K) and liquid hydrogen revealed the efficient behaviour of the active carbon and zeolitic sieves for hydrogen isotopes temporary storage. We study adsorption of the synthetic zeolites in a wide range of temperatures and pressures and we used the molecular sieves 4A, 5A and active carbon. The 4A and 5A zeolites have a tridimensional structure with 11.4 A diameter. When the hydration water is eliminated, the material keeps a porous structure. The porous volume represents 45% from the zeolite mass for 4A and 5A sieves. The activation temperature of the zeolite and the carbon is very important for obtaining a high adsorption capacity. If the temperature used for activation is low, the structural water will be not eliminated and the adsorption capacity will be low. The excessive temperature will destroy the porous structure. The adsorption capacity for the hydrogen isotopes was calculated with the relation: A = V ads /m (cm 3 /g). The adsorption capacity and efficiency for the adsorbent materials, are given. Physical adsorption process of the hydrogen isotopes was carried out at liquid nitrogen temperature. The flux gas used in the adsorption system is composed of dry deuterium and protium. This mixture is cooled in liquid nitrogen and then is passed to the adsorbent getter at the same temperature (77.4 K). The gas flux in the adsorbent getter is 5 and 72 l/h (which correspond to 0.008 and 0.134 discharge velocity, respectively). (authors)

A new immobilized biomass technical adsorbent for uranium recovery from bioleach solutions in the mine

International Nuclear Information System (INIS)

Tsezos, Marios; Noh, S.H.

1988-01-01

A new type of metal adsorbent has been developed using inactive microbial biomass as the raw material. The adsorbent can be made to a desirable particle size. The particles have good mechanical strength and resistance to compression and consequently can be used in a packed bed resulting in a low pressure drop. The new biosorbents have been shown to maintain well the biosorptive properties of the immobilized biomass used for their production. We have tested successfully the new biosorbents for the recovery of uranium from actual bioleach solutions. (author)

Electronic structure and transport properties of hydrogenated graphene and graphene nanoribbons

Energy Technology Data Exchange (ETDEWEB)

Choe, D H; Bang, Junhyeok; Chang, K J, E-mail: kchang@kaist.ac.kr [Department of Physics, Korea Advanced Institute of Science and Technology, Daejeon 305-701 (Korea, Republic of)

2010-12-15

The band gap opening is one of the important issues in applications of graphene and graphene nanoribbons (GNRs) to nanoscale electronic devices. As hydrogen strongly interacts with graphene and creates short-range disorder, the electronic structure is significantly modified by hydrogenation. Based on first-principles and tight-binding calculations, we investigate the electronic and transport properties of hydrogenated graphene and GNRs. In disordered graphene with low doses of H adsorbates, the low-energy states near the neutrality point are localized, and the degree of localization extends to high-energy states with increasing adsorbate density. To characterize the localization of eigenstates, we examine the inverse participation ratio and find that the localization is greatly enhanced for the defect levels, which are accumulated around the neutrality point. Our calculations support the previous result that even with a low dose of H adsorbates, graphene undergoes a metal-insulator transition. In GNRs, relaxations of the edge C atoms play a role in determining the edge structure and the hydrocarbon conformation at low and high H concentrations, respectively. In disordered nanoribbons, we find that the energy states near the neutrality point are localized and conductances through low-energy channels decay exponentially with sample size, similar to disordered graphene. For a given channel energy, the localization length tends to decrease as the adsorbate density increases. Moreover, the energy range of localization exceeds the intrinsic band gap.

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

International Nuclear Information System (INIS)

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

2008-01-01

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

Practical-scale tests of cryogenic molecular sieve for separating low-concentration hydrogen isotopes from helium

International Nuclear Information System (INIS)

Willms, R.S.; Taylor, D.J.; Enoeda, Mikio; Okuno, Kenji

1994-01-01

Earlier bench-scale work at the Tritium Systems Test Assembly (TSTA) at Los Alamos National Laboratory examined a number of adsorbents for their suitability for separating low-concentration hydrogen (no tritium) from helium. One of the effective adsorbents was Linde 5A molecular sieve. Recently, experiments including tritium were conducted using practical-scale adsorbers. These tests used existing cryogenic molecular sieve beds (CMSB's) which each contain about 1.6 kg of Linde 5A molecular sieve. They are part of the TSTA integrated tritium processing system. Gas was fed to each CMSB at about 13 SLPM with a nominal composition of 99% He, 0.98% H 2 and 0.02% HT. In all cases, for an extended period of time, the beds allowed no detectable (via Raman spectroscopy) hydrogen isotopes to escape in the bed effluent. Thereafter, the hydrogen isotopes appeared in the bed exit with a relatively sharp breakthrough curve. This work concludes that cryogenic molecular sieve adsorption is an practical and effective means of separating low-concentration hydrogen isotopes from a helium carrier

High coverage hydrogen adsorption on the Fe{sub 3}O{sub 4}(1 1 0) surface

Energy Technology Data Exchange (ETDEWEB)

Yu, Xiaohu, E-mail: yuxiaohu950203@126.com [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Zhang, Xuemei [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); Wang, Shengguang [State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Synfuels China Co., Ltd., Huairou, Beijing 101407 (China)

2015-10-30

Graphical abstract: - Highlights: • Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been studied by DFT + U method. • The adsorption of hydrogen prefers surface oxygen atoms on both Fe{sub 3}O{sub 4}(1 1 0) surface layers. • The more stable A layer has stronger adsorption energy than the less stable B layer. • The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. - Abstract: Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been systematically studied by density functional theory calculations including an on-site Hubbard term (GGA + U). The adsorption of hydrogen prefers surface oxygen atoms on both layers. The more stable A layer has stronger adsorption energy than the less stable B layer. The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. The adsorption mechanism has been analyzed on the basis of projected density of states (PDOS).

Electrochemical titration of hydrogen adsorbed on supported platinum catalysts

Czech Academy of Sciences Publication Activity Database

Paseka, Ivo

2007-01-01

Roč. 329, - (2007), s. 161-163 ISSN 0926-860X R&D Projects: GA ČR GA104/03/0409 Institutional research plan: CEZ:AV0Z40320502 Keywords : platinum * hydrogen adsorption * specific surface area Subject RIV: CA - Inorganic Chemistry Impact factor: 3.166, year: 2007

Hydrogen storage - are we making progress?

International Nuclear Information System (INIS)

Blair, L.; Milliken, J.; Satyapal, S.

2004-01-01

'Full text:' The efficient storage of hydrogen in compact, lightweight systems that allow greater than 300-mile range has been identified as one of the major technical challenges facing the practical commercialization of fuel cell power systems for light-duty vehicles. Following the hydrogen vision announced by President Bush in his 2003 State of the Union address, the U.S. Department of Energy issued a Grand Challenge, soliciting ideas from universities, national laboratories, and industry. DOE's National Hydrogen Storage Project, an aggressive and innovative research program focused on materials R and D, will be launched in Fiscal Year 2005. An intensive effort is also underway in the private sector, both in the U.S. and abroad, to meet the challenging on-board hydrogen storage requirements. A historical perspective of hydrogen storage research and development will be provided and the current DOE technical targets for hydrogen storage systems will be discussed. The state-of-the-art in hydrogen storage will be summarized and recent progress assessed. Finally future research directions and areas of technical emphasis will be described. (author)

Theoretical investigation on the alkali-metal doped BN fullerene as a material for hydrogen storage

International Nuclear Information System (INIS)

Venkataramanan, Natarajan Sathiyamoorthy; Belosludov, Rodion Vladimirovich; Note, Ryunosuke; Sahara, Ryoji; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

2010-01-01

Graphical abstract: First-principles calculations have been used to investigate hydrogen adsorption on alkali atom doped B 36 N 36 clusters. Adsorption of alkali atoms involves a charge transfer process, creating positively-charged alkali atoms and this polarizes the H 2 molecules and increases their binding energy. The maximum hydrogen storage capacity of Li doped BN fullerene is 8.9 wt.% in which 60 hydrogen atoms were chemisorbed and 12 H 2 were adsorbed in molecular form. - Abstract: First-principles calculations have been used to investigate hydrogen adsorption on alkali atom doped B 36 N 36 clusters. The alkali atom adsorption takes place near the six tetragonal bridge sites available on the cage, thereby avoiding the notorious clustering problem. Adsorption of alkali atoms involves a charge transfer process, creating positively charged alkali atoms and this polarizes the H 2 molecules thereby, increasing their binding energy. Li atom has been found to adsorb up to three hydrogen molecules with an average binding energy of 0.189 eV. The fully doped Li 6 B 36 N 36 cluster has been found to hold up to 18 hydrogen molecules with the average binding energy of 0.146 eV. This corresponds to a gravimetric density of hydrogen storage of 3.7 wt.%. Chemisorption on the Li 6 B 36 N 36 has been found to be an exothermic reaction, in which 60 hydrogen atoms chemisorbed with an average chemisorption energy of -2.13 eV. Thus, the maximum hydrogen storage capacity of Li doped BN fullerene is 8.9 wt.% in which 60 hydrogen atoms were chemisorbed and 12 hydrogen molecules were adsorbed in molecular form.

First-principles study of pollutant molecules absorbed on polymeric adsorbents using the vdW-DF2 functional

Science.gov (United States)

Zhu, Jinguo; Wang, Yapeng; Tian, Ting; Zhang, Qianfan

2018-03-01

Polymeric adsorbents have been attracting increasing attention because of their favorable structrual properties and effectiveness of solving small molecules contaminants. However, due to the absence of deep insight into the adsorption mechanism of polymeric adsorbents, researches on new polymeric adsorbents can only be carried out by repeated experiments and tests, which is extremely inefficient. Therefore, investigating the adsorption process of polymeric adsorbents, especially the mechanism of adsorbing various air pollutant molecules by materials modelling and simulation, is of great significance. Here in this work, we systematically studied the adsorption mechanism by first-principles computation with van der Waals interaction. It demonstrates that the adsorption between them was pure physisorption originating from the hydrogen bond and intermolecular forces consisting of Keesom force, Debye force and London dispersion force. The proportions of these forces varied according to different adsorption systems. The adsorption effects were determined by the polymers’ dipole moment and polarizability. The adsorption performance of some polymers with special structures was also investigated to explore their possibility as potential adsorbents. The results of our simulation can provide some guidance for developing new polymeric adsorbents with better performance.

Energy policy conference on the technical-economical stakes of hydrogen as future energy vector; Conference de politique energetique sur les enjeux technico-economiques de l'hydrogene comme vecteur energetique

Energy Technology Data Exchange (ETDEWEB)

NONE

2002-01-01

This document is the report of the conference meeting jointly organized by the French general plan commission and the general direction of energy and raw materials on the technical-economical stakes of hydrogen as future energy source, and in particular of hydrogen fuel-cells for cogeneration and vehicle applications: 1 - presentation of the general context: status of the hydrogen industry, French R and D and industrial actors, international status; 2 - competition or association with fossil fuels: which opportunities for hydrogen, recall of the 2020 and 2050 energy prospects, impact of hydrogen on climate change, energy efficiency reference of vehicles, CO{sub 2} emissions 'from the well to the wheel' for the different energy sources, perspectives of hydrogen fuels; 3 - main results of the study carried out by the CEREN on the prospects of stationary fuel cells in France: description of the study, concrete case of a 500 beds hospital, economic and environmental conclusions. The transparencies corresponding to the 3 points above are attached to the report. (J.S.)

Nanocrystalline electrodeposited Ni-Mo-C cathodes for hydrogen production

International Nuclear Information System (INIS)

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

2004-01-01

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

Effects of basic nitrogen poisoning on adsorption of hydrogen on a hydrotreatment catalyst

International Nuclear Information System (INIS)

Entz, R.W.; Seapan, M.

1985-01-01

Activity of a hydrotreatment catalyst depends on the hydrogen adsorption characteristics of the catalyst. In this work, the adsorption of hydrogen on a Ni-Mo/Al/sub 2/O/sub 3/ catalyst (shell 324) has been studied using a TGA at 1 atm pressure and 200-400 0 C temperature. Hydrogen adsorption on a calcined catalyst was shown to be of activated type with a sudden increase in hydrogen adsorption around 350 0 C. When the catalyst is extracted with Tetrahydrofuran (THF), the hydrogen adsorption increases gradually as the temperature is increased, approaching a monolayer coverage of the catalyst surface. It is shown that solvent extraction of catalyst changes its hydrogen adsorption characteristics significantly. Indeed, at 400 0 C, an extracted catalyst adsorbs about four times more hydrogen than an unextracted catalyst. Adsorption of basic nitrogen compounds on the catalyst interferes with the hydrogen adsorption. The adsorption of pyridine, piperidine, n-pentylamine, and ammonia were studied at 400 0 C. It is shown that the strength of adsorption of piperidine and n-pentylamine are relatively similar, however their adsorption strength is higher than pyridine. Ammonia is the weakest adsorbing compound studied. These observations are in agreement with other studies

Li-Decorated β12-Borophene as Potential Candidates for Hydrogen Storage: A First-Principle Study.

Science.gov (United States)

Liu, Tingting; Chen, Yuhong; Wang, Haifeng; Zhang, Meiling; Yuan, Lihua; Zhang, Cairong

2017-12-07

The hydrogen storage properties of pristine β 12 -borophene and Li-decorated β 12 -borophene are systemically investigated by means of first-principles calculations based on density functional theory. The adsorption sites, adsorption energies, electronic structures, and hydrogen storage performance of pristine β 12 -borophene/H₂ and Li- β 12 -borophene/H₂ systems are discussed in detail. The results show that H₂ is dissociated into Two H atoms that are then chemisorbed on β 12 -borophene via strong covalent bonds. Then, we use Li atom to improve the hydrogen storage performance and modify the hydrogen storage capacity of β 12 -borophene. Our numerical calculation shows that Li- β 12 -borophene system can adsorb up to 7 H₂ molecules; while 2Li- β 12 -borophene system can adsorb up to 14 H₂ molecules and the hydrogen storage capacity up to 10.85 wt %.

High-capacity hydrogen storage in Li-adsorbed g-C{sub 3}N{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Wei, Jianfeng; Huang, Chengxi; Wu, Haiping, E-mail: mrhpwu@njust.edu.cn; Kan, Erjun, E-mail: ekan@njust.edu.cn

2016-09-01

Since hydrogen is a kind of potential source of efficient and pollution-free energy, it has attracted great research interests in recent years. However, the lack of safe and efficient hydrogen storage materials has blocked the rapid development of hydrogen energy. Here, we explored the possibility of Li-decorated g-C{sub 3}N{sub 4} as a kind of potential hydrogen storage materials based on first-principles calculations. Our results demonstrated that the adsorption energy of Li atoms on g-C{sub 3}N{sub 4} is much larger than the cohesive energy of bulk Li. Importantly, we find that the binding energy of each H{sub 2} molecule is about 0.29 eV, which is quite suitable for hydrogen storage. Furthermore, the estimated hydrogen storage capacity is around 9.2 wt %, which beyonds the goal of DOE. Thus, we predicted that Li-decorated g-C{sub 3}N{sub 4} may act as the potential hydrogen storage materials. - Highlights: • We explored the possibility of Li-decorated g-C{sub 3}N{sub 4} as a kind of potential hydrogen storage material. • We demonstrated the binding energy of each H{sub 2} molecule is 0.29 eV, which is quite suitable for hydrogen storage materials. • The hydrogen storage capacity is estimated around 9.2 wt %.

Effect of Li Adsorption on the Electronic and Hydrogen Storage Properties of Acenes: A Dispersion-Corrected TAO-DFT Study

Science.gov (United States)

Seenithurai, Sonai; Chai, Jeng-Da

2016-01-01

Due to the presence of strong static correlation effects and noncovalent interactions, accurate prediction of the electronic and hydrogen storage properties of Li-adsorbed acenes with n linearly fused benzene rings (n = 3–8) has been very challenging for conventional electronic structure methods. To meet the challenge, we study these properties using our recently developed thermally-assisted-occupation density functional theory (TAO-DFT) with dispersion corrections. In contrast to pure acenes, the binding energies of H2 molecules on Li-adsorbed acenes are in the ideal binding energy range (about 20 to 40 kJ/mol per H2). Besides, the H2 gravimetric storage capacities of Li-adsorbed acenes are in the range of 9.9 to 10.7 wt%, satisfying the United States Department of Energy (USDOE) ultimate target of 7.5 wt%. On the basis of our results, Li-adsorbed acenes can be high-capacity hydrogen storage materials for reversible hydrogen uptake and release at ambient conditions. PMID:27609626

Materials for Hydrogen Storage in Nanocavities: Design criteria

Energy Technology Data Exchange (ETDEWEB)

Reguera, E. [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada del IPN, Unidad Legaria, Legaria 694, Col. Irrigacion (Mexico)

2009-11-15

The adsorption potential for a given adsorbate depends of both, material surface and adsorbate properties. In this contribution the possible guest-host interactions for H{sub 2} within a cavity or on a surface are discussed considering the molecule physical properties. Five different interactions contribute to the adsorption forces for this molecule: 1) quadrupole moment interaction with the local electric field gradient; 1) electron cloud polarization by a charge center; 3) dispersive forces (van der Waals); 4) quadrupole moment versus quadrupole moment between neighboring H{sub 2} molecules, and, 5) H{sub 2} coordination to a metal center. The relative importance of these five interactions for the hydrogen storage in nanocavities is discussed from experimental evidences in order to extract materials design criteria for molecular hydrogen storage. (author)

Longitudinal dispersion coefficient depending on superficial velocity of hydrogen isotopes flowing in column packed with zeolite pellets at 77.4 K

Energy Technology Data Exchange (ETDEWEB)

Kotoh, K. [Faculty of Engineering, Kyushu University, Nishi-ku, Fukuoka (Japan); Graduate School of Engineering, Kyushu University, Nishi-ku, Fukuoka (Japan); Kubo, K.; Takashima, S.; Moriyama, S.T. [Graduate School of Engineering, Kyushu University, Nishi-ku, Fukuoka (Japan); Tanaka, M. [National Institute for Fusion Science, Oroshi-cho, Toki, Gifu (Japan); Sugiyama, T. [Faculty of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya (Japan)

2015-03-15

Authors have been developing a cryogenic pressure swing adsorption system for hydrogen isotope separation. In the problem of its design and operation, it is necessary to predict the concentration profiles developing in packed beds of adsorbent pellets. The profiling is affected by the longitudinal dispersion of gas flowing in packed beds, in addition to the mass transfer resistance in porous media of adsorbent pellets. In this work, an equation is derived for estimating the packed-bed dispersion coefficient of hydrogen isotopes, by analyzing the breakthrough curves of trace D{sub 2} or HD replacing H{sub 2} adsorbed in synthetic zeolite particles packed columns at the liquefied nitrogen temperature 77.4 K. Since specialized for hydrogen isotopes, this equation can be considered to estimate the dispersion coefficients more reliable for the cryogenic hydrogen isotope adsorption process, than the existing equations. (authors)

Metallic → Semiconducting transitions in HX(X=F, Br, Cl) adsorbed (5,5) and (7,7) carbon nanotubes: DFT study

Science.gov (United States)

Srivastava, Reena; Shrivastava, Sadhana; Srivastava, Anurag

2018-05-01

The edge sensitivity of two different chirality (5,5) and (7,7) armchair carbon nanotubes towards toxic hydrogen halides (HF, HBr and HCl) has been analyzed by using density functional theory based ab-initio approach. The edge sensitivity has been discussed in terms of the variations in the electronic band structure of (5,5) and (7,7) carbon nanotube. The observation shows metallic to semiconducting phase transition in HF and HBr adsorbed (5,5) CNT, whereas for HCl adsorbed, it is more metallic. Whereas HBr and HCl adsorbed (7,7) CNT confirms metallic→semiconducting transition and shows diameter dependence of properties of CNTs.

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.

Evaluation of Technical Feasibility of Homogeneous Charge Compression Ignition (HCCI) Engine Fueled with Hydrogen, Natural Gas, and DME

Energy Technology Data Exchange (ETDEWEB)

John Pratapas; Daniel Mather; Anton Kozlovsky

2007-03-31

The objective of the proposed project was to confirm the feasibility of using blends of hydrogen and natural gas to improve the performance, efficiency, controllability and emissions of a homogeneous charge compression ignition (HCCI) engine. The project team utilized both engine simulation and laboratory testing to evaluate and optimize how blends of hydrogen and natural gas fuel might improve control of HCCI combustion. GTI utilized a state-of-the art single-cylinder engine test platform for the experimental work in the project. The testing was designed to evaluate the feasibility of extending the limits of HCCI engine performance (i.e., stable combustion, high efficiency and low emissions) on natural gas by using blends of natural gas and hydrogen. Early in the project Ricardo provided technical support to GTI as we applied their engine performance simulation program, WAVE, to our HCCI research engine. Modeling support was later provided by Digital Engines, LLC to use their proprietary model to predict peak pressures and temperatures for varying operating parameters included in the Design of Experiments test plan. Digital Engines also provided testing support for the hydrogen and natural gas blends. Prof. David Foster of University of Wisconsin-Madison participated early in the project by providing technical guidance on HCCI engine test plans and modeling requirements. The main purpose of the testing was to quantify the effects of hydrogen addition to natural gas HCCI. Directly comparing straight natural gas with the hydrogen enhanced test points is difficult due to the complexity of HCCI combustion. With the same air flow rate and lambda, the hydrogen enriched fuel mass flow rate is lower than the straight natural gas mass flow rate. However, the energy flow rate is higher for the hydrogen enriched fuel due to hydrogen's significantly greater lower heating value, 120 mJ/kg for hydrogen compared to 45 mJ/kg for natural gas. With these caveats in mind, an

Metal/glass composites for analysis of hydrogen isotopes by gas-chromatography

International Nuclear Information System (INIS)

Nicolae, Constantin Adrian; Sisu, Claudia; Stefanescu, Doina; Stanciu, Vasile

1999-01-01

The separation process of hydrogen isotopes by cryogenic distillation or thermal diffusion is a key technology for tritium separation from heavy water in CANDU reactor and for tritium fuel cycle in thermonuclear fusion reactor. In each process, analytical techniques for analyzing the hydrogen isotope mixture are required. An extensive experimental research has been carried out in order to produce the most suitable adsorbents and to establish the best operating conditions for selective separation and analysis of hydrogen isotopes by gas-chromatography. This paper describes the preparation of adsorbent materials used as stationary phases in the gas-chromatographic column for hydrogen isotope separation and the treatment (activation) of stationary phases. Modified thermoresisting glass with Fe(NH 4 ) 2 (SO 4 ) 2 ·6H 2 O and Cr 2 O 3 respectively have been experimentally investigated at 77 K for H 2 , HD and D 2 separation and the results of chromatographic runs are reported and discussed. The gas-chromatographic apparatus used in this study is composed of a Hewlett-Packard 7620A gas-chromatograph equipped with a gas carrier flow rate controller and a thermal conductivity detector. The apparatus comprises also a Dewar vessel containing the separation column. The hydrogen isotopes, H 2 , HD, D 2 , and their mixture have been obtained in our laboratories. The best operating conditions and parameters of the Fe 3+ /glass adsorbent column , i.e. granulometry, column length, pressure-drop along the column, carrier gas flow rate and sample volume have been studied by means of the analysis of the retention times, separation factors and HETP. (authors)

Evaluation of Technical Feasibility of Homogeneous Charge Compression Ignition (HCCI) Engine Fueled with Hydrogen, Natural Gas, and DME

Energy Technology Data Exchange (ETDEWEB)

Pratapas, John; Mather, Daniel; Kozlovsky, Anton

2013-03-31

The objective of the proposed project was to confirm the feasibility of using blends of hydrogen and natural gas to improve the performance, efficiency, controllability and emissions of a homogeneous charge compression ignition (HCCI) engine. The project team utilized both engine simulation and laboratory testing to evaluate and optimize how blends of hydrogen and natural gas fuel might improve control of HCCI combustion. GTI utilized a state-of-the art single-cylinder engine test platform for the experimental work in the project. The testing was designed to evaluate the feasibility of extending the limits of HCCI engine performance (i.e., stable combustion, high efficiency and low emissions) on natural gas by using blends of natural gas and hydrogen. Early in the project Ricardo provided technical support to GTI as we applied their engine performance simulation program, WAVE, to our HCCI research engine. Modeling support was later provided by Digital Engines, LLC to use their proprietary model to predict peak pressures and temperatures for varying operating parameters included in the Design of Experiments test plan. Digital Engines also provided testing support for the hydrogen and natural gas blends. Prof. David Foster of University of Wisconsin-Madison participated early in the project by providing technical guidance on HCCI engine test plans and modeling requirements. The main purpose of the testing was to quantify the effects of hydrogen addition to natural gas HCCI. Directly comparing straight natural gas with the hydrogen enhanced test points is difficult due to the complexity of HCCI combustion. With the same air flow rate and lambda, the hydrogen enriched fuel mass flow rate is lower than the straight natural gas mass flow rate. However, the energy flow rate is higher for the hydrogen enriched fuel due to hydrogen’s significantly greater lower heating value, 120 mJ/kg for hydrogen compared to 45 mJ/kg for natural gas. With these caveats in mind, an

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.

Adsorption and desorption of hydrogen and carbon monoxide were studied on alumina-supported iridium catalysts

Energy Technology Data Exchange (ETDEWEB)

Etherton, B.P.

1980-01-01

The adsorption and desorption of hydrogen and carbon monoxide were studied on alumina-supported iridium catalysts which were examined by a scanning transmission electron microscope (STEM). The metal particle size and number of particles per area of catalyst increased with increasing metal loading. The particles were approx. 10 A. in diameter, cubo-octahedral shaped, and approx. 80-90% disperse. The STEM electron beam caused negligible damage to the samples. Hydrogen adsorption measurements showed that the hydrogen-iridium atom ratio was 1.2:1-1.3:1 and increased with decreasing metal loading. Temperature-programed desorption showed four types of adsorbed hydrogen desorbing at -90/sup 0/C (I), 15/sup 0/C (IV), 115/sup 0/C (II), and 245/sup 0/C (III). Types II and IV desorb from single atom sites and Types I and III from multiple atom sites. Type I is in rapid equilibrium with the gas phase. All desorption processes appear to be first order. Carbon monoxide adsorbed nondissociatively at 25/sup 0/C with approx. 0.7:1 CO/Ir atom ratio. It adsorbed primarily in linear forms at low coverage, but a bridged form appeared at high coverage.

Technical and economic assessment of producing hydrogen by reforming syngas from the Battelle indirectly heated biomass gasifier

International Nuclear Information System (INIS)

Mann, M.K.

1995-08-01

The technical and economic feasibility of producing hydrogen from biomass by means of indirectly heated gasification and steam reforming was studied. A detailed process model was developed in ASPEN Plus trademark to perform material and energy balances. The results of this simulation were used to size and cost major pieces of equipment from which the determination of the necessary selling price of hydrogen was made. A sensitivity analysis was conducted on the process to study hydrogen price as a function of biomass feedstock cost and hydrogen production efficiency. The gasification system used for this study was the Battelle Columbus Laboratory (BCL) indirectly heated gasifier. The heat necessary for the endothermic gasification reactions is supplied by circulating sand from a char combustor to the gasification vessel. Hydrogen production was accomplished by steam reforming the product synthesis gas (syngas) in a process based on that used for natural gas reforming. Three process configurations were studied. Scheme 1 is the full reforming process, with a primary reformer similar to a process furnace, followed by a high temperature shift reactor and a low temperature shift reactor. Scheme 2 uses only the primary reformer, and Scheme 3 uses the primary reformer and the high temperature shift reactor. A pressure swing adsorption (PSA) system is used in all three schemes to produce a hydrogen product pure enough to be used in fuel cells. Steam is produced through detailed heat integration and is intended to be sold as a by-product

Economical and ecological comparison of granular activated carbon (GAC) adsorber refill strategies.

Science.gov (United States)

Bayer, Peter; Heuer, Edda; Karl, Ute; Finkel, Michael

2005-05-01

Technical constraints can leave a considerable freedom in the design of a technology, production or service strategy. Choosing between economical or ecological decision criteria then characteristically leads to controversial solutions of ideal systems. For the adaptation of granular-activated carbon (GAC) fixed beds, various technical factors determine the adsorber volume required to achieve a desired service life. In considering carbon replacement and recycling, a variety of refill strategies are available that differ in terms of refill interval, respective adsorber volume, and time-dependent use of virgin, as well as recycled GAC. Focusing on the treatment of contaminant groundwater, we compare cost-optimal reactor configurations and refill strategies to the ecologically best alternatives. Costs and consumption of GAC are quantified within a technical-economical framework. The emissions from GAC production out of hard coal, transport and recycling are equally derived through a life cycle impact assessment. It is shown how high discount rates lead to a preference of small fixed-bed volumes, and accordingly, a high number of refills. For fixed discount rates, the investigation reveals that both the economical as well as ecological assessment of refill strategies are especially sensitive to the relative valuation of virgin and recycled GAC. Since recycling results in economic and ecological benefits, optimized systems thus may differ only slightly.

Hydrogen production from palm kernel shell via integrated catalytic adsorption (ICA) steam gasification

International Nuclear Information System (INIS)

Khan, Zakir; Yusup, Suzana; Ahmad, Murni Melati; Chin, Bridgid Lai Fui

2014-01-01

Highlights: • The paper presents integrated catalytic adsorption (ICA) steam gasification for H 2 yield. • Effects of adsorbent to biomass, biomass particle size and fluidization velocity on H 2 yield are examined. • The present study produces higher H 2 yield as compared to that obtained in literatures. • The ICA provides enhancement of H 2 yield as compared to independent catalytic and CO 2 adsorption gasification systems. - Abstract: The present study investigates the integrated catalytic adsorption (ICA) steam gasification of palm kernel shell for hydrogen production in a pilot scale atmospheric fluidized bed gasifier. The biomass steam gasification is performed in the presence of an adsorbent and a catalyst in the system. The effect of adsorbent to biomass (A/B) ratio (0.5–1.5 wt/wt), fluidization velocity (0.15–0.26 m/s) and biomass particle size (0.355–2.0 mm) are studied at temperature of 675 °C, steam to biomass (S/B) ratio of 2.0 (wt/wt) and biomass to catalyst ratio of 0.1 (wt/wt). Hydrogen composition and yield, total gas yield, and lower product gas heating values (LHV gas ) increases with increasing A/B ratio, while particle size has no significant effect on hydrogen composition and yield, total gas and char yield, gasification and carbon conversion efficiency. However, gas heating values increased with increasing biomass particle size which is due to presence of high methane content in product gas. Meanwhile, medium fluidization velocity of 0.21 m/s favoured hydrogen composition and yield. The results showed that the maximum hydrogen composition and yield of 84.62 vol% and 91.11 g H 2 /kg biomass are observed at A/B ratio of 1.5, S/B ratio of 2.0, catalyst to biomass ratio of 0.1 and temperature of 675 °C. The product gas heating values are observed in the range of 10.92–17.02 MJ/N m 3 . Gasification and carbon conversion efficiency are observed in the range of 25.66–42.95% and 20.61–41.95%, respectively. These lower

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

Energy Technology Data Exchange (ETDEWEB)

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

1986-03-01

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

Topological features of engineered arrays of adsorbates in honeycomb lattices

Energy Technology Data Exchange (ETDEWEB)

Gonzalez-Arraga, Luis A., E-mail: ludovici83@gmail.com [IMDEA Nanociencia, Calle de Faraday, 9, Cantoblanco, 28049 Madrid (Spain); Lado, J.L. [International Iberian Nanotechnology Laboratory (INL), Av. Mestre Jose Veiga, 4715-330 Braga (Portugal); Guinea, Francisco [IMDEA Nanociencia, Calle de Faraday, 9, Cantoblanco, 28049 Madrid (Spain); School of Physics and Astronomy, University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom)

2016-09-01

Hydrogen adatoms are one of the most the promising proposals for the functionalization of graphene. The adatoms induce narrow resonances near the Dirac energy, which lead to the formation of magnetic moments. Furthermore, they also create local lattice distortions which enhance the spin–orbit coupling. The combination of magnetism and spin–orbit coupling allows for a rich variety of phases, some of which have non-trivial topological features. We analyze the interplay between magnetism and spin–orbit coupling in ordered arrays of adsorbates on honeycomb lattice monolayers, and classify the different phases that may arise. We extend our model to consider arrays of adsorbates in graphene-like crystals with stronger intrinsic spin–orbit couplings. We also consider a regime away from half-filling in which the Fermi level is at the bottom of the conduction band, we find a Berry curvature distribution corresponding to a Valley–Hall effect.

Clarification of the mechanism of sulfur trioxide electrolysis. Evaluation of SO3 and O atom adsorbed on Pt surface

International Nuclear Information System (INIS)

Suzuki, Chikashi; Nakagiri, Toshio

2008-01-01

We developed a hybrid thermo-chemical process, which included a SO 3 electrolysis process utilizing the heat supplied by a fast breeder reactor (FBR), as a new hydrogen production process. To clarify the mechanism of SO 3 electrolysis, we evaluated the electronic states of SO 3 and O atom adsorbed on the Pt (111) surface using first-principles calculations with a slab model. Moreover, we evaluated the chemical bonding states of SO 3 and adsorbed O using molecular orbital calculation on the basis of the calculations using a slab model. We found that there were two stable adsorbed SO 3 configurations on the Pt surface. From the molecular orbital calculation, it was found that the S-O bond became weak by SO 3 absorption, and it was conjectured that SO 3 dissociation proceeded through the intermediate state of adsorbed SO 2 and adsorbed O on the Pt surface. Moreover, we derived the O coverage considering the adsorbed SO 2 and evaluated the influence of SO 3 adsorption energy on the O coverage. (author)

Sc-Decorated WS_2 Nanoribbons as Hydrogen Storage Media

International Nuclear Information System (INIS)

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

2016-01-01

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

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

International Nuclear Information System (INIS)

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

2011-01-01

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

Hydrogen purification by periodic adsorption

Energy Technology Data Exchange (ETDEWEB)

Barg, Christian; Secchi, Argimiro R.; Trierweiler, Jorge O. [Rio Grande do Sul Univ., Porto Alegre, RS (Brazil). Dept. de Engenharia Quimica]. E-mail: cbarg@enq.ufrgs.br; arge@enq.ufrgs.br; jorge@enq.ufrgs.br

2000-07-01

The periodic adsorption processes have been widely used for industrial applications, mainly because it spends less energy than the usual gas separation processes, like the cryogenic distillation. The largest commercial application of periodic adsorption processes is the pressure swing adsorption (PSA) applied to hydrogen purification. Although its wide use in the chemical and petrochemical industry, there are no reports in the open literature about complete modeling studies of a complex commercial unit, with multiple adsorbents and multiple beds and several feed components. This study has as objective the modeling, optimization and dynamical analysis of an industrial PSA unit for hydrogen purification. (author)

The effect of amorphous silicon surface hydrogenation on morphology, wettability and its implication on the adsorption of proteins

Energy Technology Data Exchange (ETDEWEB)

Filali, Larbi, E-mail: larbifilali5@gmail.com [Laboratoire de Physique des Couches Minces et Matériaux pour l' Electronique, Université d' Oran 1, Ahmed Ben Bella, BP 1524, El M' naouar 31100 Oran (Algeria); Brahmi, Yamina; Sib, Jamal Dine [Laboratoire de Physique des Couches Minces et Matériaux pour l' Electronique, Université d' Oran 1, Ahmed Ben Bella, BP 1524, El M' naouar 31100 Oran (Algeria); Bouhekka, Ahmed [Laboratoire de Physique des Couches Minces et Matériaux pour l' Electronique, Université d' Oran 1, Ahmed Ben Bella, BP 1524, El M' naouar 31100 Oran (Algeria); Département de Physique, Université Hassiba Ben Bouali, 02000 Chlef (Algeria); Benlakehal, Djamel; Bouizem, Yahya; Kebab, Aissa; Chahed, Larbi [Laboratoire de Physique des Couches Minces et Matériaux pour l' Electronique, Université d' Oran 1, Ahmed Ben Bella, BP 1524, El M' naouar 31100 Oran (Algeria)

2016-10-30

Highlights: • Hydrogenation of the surfaces had the effect of reducing the roughness by way of shadow etching. • Roughness was the driving factor affecting the wettability of the hydrogenated surfaces. • Bovine Serum Albumin proteins favored the surfaces with highest hydrogen content. • Surface modification induced secondary structure change of adsorbed proteins. - Abstract: We study the effect of amorphous silicon (a-Si) surface hydrogenation on Bovine Serum Albumin (BSA) adsorption. A set of (a-Si) films was prepared by radio frequency magnetron sputtering (RFMS) and after deposition; they were treated in molecular hydrogen ambient at different pressures (1–3 Pa). Fourier transform infrared attenuated total reflection (FTIR-ATR) spectroscopy and spectroscopic ellipsometry (SE) were used to study the hydrogenation effect and BSA adsorption. Atomic force microscopy (AFM) was used to evaluate morphological changes caused by hydrogenation. The wettability of the films was measured using contact angle measurement, and in the case of the hydrogenated surfaces, it was found to be driven by surface roughness. FTIR-ATR spectroscopy and SE measurements show that proteins had the strongest affinity toward the surfaces with the highest hydrogen content and their secondary structure was affected by a significant decrease of the α-helix component (-27%) compared with the proteins adsorbed on the un-treated surface, which had a predominantly α-helix (45%) structure. The adsorbed protein layer was found to be densely packed with a large thickness (30.9 nm) on the hydrogen-rich surfaces. The most important result is that the surface hydrogen content was the dominant factor, compared to wettability and morphology, for protein adsorption.

Thermodynamics of hydrogen adsorption in MOF-177 at low temperatures: measurements and modelling

Energy Technology Data Exchange (ETDEWEB)

Poirier, Eric [College of Engineering, Purdue University, West Lafayette, IN 47907 (United States); Dailly, Anne [Chemical and Environmental Sciences Laboratory, General Motors Corporation, Warren, MI 48090 (United States)], E-mail: poirierem@gmail.com, E-mail: anne.dailly@gm.com

2009-05-20

Hydrogen adsorption measurements and modelling for the Zn-based microporous metal-organic framework (MOF) Zn{sub 4}O(1,3,5-benzenetribenzoate){sub 2}, MOF-177, were performed over the 50-77 K and 0-40 bar ranges. The maximum excess adsorption measured under these conditions varies over about 105-70 mg g{sup -1}. An analysis of the isotherms near saturation shows that hydrogen is ultimately adsorbed in an incompressible phase whose density is comparable to that of the bulk liquid. These liquid state properties observed under supercritical conditions reveal a remarkable effect of nanoscale confinement. The entire set of adsorption isotherms can be well described using a micropore filling model. The latter is used, in particular, to determine the absolute amounts adsorbed and the adsorption enthalpy. When expressed in terms of absolute adsorption, the isotherms show considerable hydrogen storage capacities, reaching up to 125 mg g{sup -1} at 50 K and 25 bar. The adsorption enthalpies are calculated as a function of fractional filling and range from 3 to 5 kJ mol{sup -1} in magnitude, in accordance with physisorption. These results are discussed with respect to a similar analysis performed on another Zn-based MOF, Zn{sub 4}O(1,4-benzenedicarboxylate){sub 3}, IRMOF-1, presented recently. It is found that both materials adsorb hydrogen by similar mechanisms.

Thermodynamics of hydrogen adsorption in MOF-177 at low temperatures: measurements and modelling

International Nuclear Information System (INIS)

Poirier, Eric; Dailly, Anne

2009-01-01

Hydrogen adsorption measurements and modelling for the Zn-based microporous metal-organic framework (MOF) Zn 4 O(1,3,5-benzenetribenzoate) 2 , MOF-177, were performed over the 50-77 K and 0-40 bar ranges. The maximum excess adsorption measured under these conditions varies over about 105-70 mg g -1 . An analysis of the isotherms near saturation shows that hydrogen is ultimately adsorbed in an incompressible phase whose density is comparable to that of the bulk liquid. These liquid state properties observed under supercritical conditions reveal a remarkable effect of nanoscale confinement. The entire set of adsorption isotherms can be well described using a micropore filling model. The latter is used, in particular, to determine the absolute amounts adsorbed and the adsorption enthalpy. When expressed in terms of absolute adsorption, the isotherms show considerable hydrogen storage capacities, reaching up to 125 mg g -1 at 50 K and 25 bar. The adsorption enthalpies are calculated as a function of fractional filling and range from 3 to 5 kJ mol -1 in magnitude, in accordance with physisorption. These results are discussed with respect to a similar analysis performed on another Zn-based MOF, Zn 4 O(1,4-benzenedicarboxylate) 3 , IRMOF-1, presented recently. It is found that both materials adsorb hydrogen by similar mechanisms.

Energy: the solar hydrogen alternative

Energy Technology Data Exchange (ETDEWEB)

Bocheris, J O.M.

1977-01-01

The author argues that nuclear and solar energy should begin replacing conventional fossil sources as soon as possible because oil, gas and even coal supplies will be depleted within decades. A hydrogen economy would introduce major technical problems but its chief benefits are that it permits energy storage in a post fossil fuel era when electricity is expected to play a major role. It can be converted to electricity, cleanly and efficiently with fuel cells and in liquid form can be burnt as jet fuel. Hydrogen can also be burnt in internal combustion engines although less efficiently in fuel cells. However, although hydrogen is clean and efficient, technical development is still needed to reduce its cost and to cope with safety problems. The book contains a wealth of technical information and is a valuable reference on a topic of growing importance.

Diffusion Monte Carlo simulations of gas phase and adsorbed D2-(H2)n clusters

Science.gov (United States)

Curotto, E.; Mella, M.

2018-03-01

We have computed ground state energies and analyzed radial distributions for several gas phase and adsorbed D2(H2)n and HD(H2)n clusters. An external model potential designed to mimic ionic adsorption sites inside porous materials is used [M. Mella and E. Curotto, J. Phys. Chem. A 121, 5005 (2017)]. The isotopic substitution lowers the ground state energies by the expected amount based on the mass differences when these are compared with the energies of the pure clusters in the gas phase. A similar impact is found for adsorbed aggregates. The dissociation energy of D2 from the adsorbed clusters is always much higher than that of H2 from both pure and doped aggregates. Radial distributions of D2 and H2 are compared for both the gas phase and adsorbed species. For the gas phase clusters, two types of hydrogen-hydrogen interactions are considered: one based on the assumption that rotations and translations are adiabatically decoupled and the other based on nonisotropic four-dimensional potential. In the gas phase clusters of sufficiently large size, we find the heavier isotopomer more likely to be near the center of mass. However, there is a considerable overlap among the radial distributions of the two species. For the adsorbed clusters, we invariably find the heavy isotope located closer to the attractive interaction source than H2, and at the periphery of the aggregate, H2 molecules being substantially excluded from the interaction with the source. This finding rationalizes the dissociation energy results. For D2-(H2)n clusters with n ≥12 , such preference leads to the desorption of D2 from the aggregate, a phenomenon driven by the minimization of the total energy that can be obtained by reducing the confinement of (H2)12. The same happens for (H2)13, indicating that such an effect may be quite general and impact on the absorption of quantum species inside porous materials.

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

Mexican natural zeolite, material for their possible use in the hydrogen storage

International Nuclear Information System (INIS)

Iturbe G, J. L.; Vazquez A, O.

2009-01-01

In this work a study is presented on the use of a Mexican natural zeolite as possible alternative to storage hydrogen. This zeolite material comes from the Sonora State (Mexico), to which is diminished the particle size by means of a mill treatment with a mechanical alloyed system during 5 hours. Later on, the zeolite in powder form was characterized by means of X-ray diffraction and scanning electron microscopy. It was also exposed to heating in a micro-reactor at 350 C and at the same time making empty during 2 hours, to eliminate humidity and possible gases that were caught in their structure. Soon after, it was diminished the temperature at 10 C and it was contacted with hydrogen of ultra high purity to a pressure of 10 bars during 10 minutes. The hydrogen analysis caught in the zeolite was realized through gas chromatography. The results by means of the chromatograms indicate that the zeolite adsorbed and liberate to hydrogen under conditions completely different to that reported in the literature, being understood that under our experimental conditions to low pressure and temperature, the hydrogen is adsorbed in this material type. (Author)

Ti-decorated graphitic-C{sub 3}N{sub 4} monolayer: A promising material for hydrogen storage

Energy Technology Data Exchange (ETDEWEB)

Zhang, Weibin [Department of Physics, Dongguk University, Seoul 04620 (Korea, Republic of); Zhang, Zhijun [Department of Physics, Dongguk University, Seoul 04620 (Korea, Republic of); School of Materials Science and Engineering, Shanghai University, Shanghai 200072 (China); Zhang, Fuchun [College of Physics and Electronic Information, Yan’an University, Yan’an 716000 (China); Yang, Woochul, E-mail: wyang@dongguk.edu [Department of Physics, Dongguk University, Seoul 04620 (Korea, Republic of)

2016-11-15

Highlights: • Ti atoms are stably decorated at the triangular N hole in g-C{sub 3}N{sub 4} with an adsorption energy of −7.58 eV. • Electron redistribution of Ti-adsorbed porous g-C{sub 3}N{sub 4} significantly enhanced hydrogen adsorption up to five H{sub 2} molecules at each Ti atom. • The hydrogen capacity of the Ti-decorated g-C{sub 3}N{sub 4} system reaches up to 9.70 wt%. • All H{sub 2} absorbed in the Ti/g-C{sub 3}N{sub 4} system can be released at 393 K according to the molecular dynamic analysis. • Ti/g-C{sub 3}N{sub 4} as a hydrogen storage system is suitable and reversible at the temperature range required for practical applications. - Abstract: Ti-decorated graphitic carbon nitride (g-C{sub 3}N{sub 4}) 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-C{sub 3}N{sub 4} 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-C{sub 3}N{sub 4} 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-C{sub 3}N{sub 4} significantly enhanced hydrogen adsorption up to five H{sub 2} molecules at each Ti atom with an average adsorption energy of −0.30 eV/H{sub 2}. 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 H{sub 2} are released at 393 K according to molecular dynamics simulation. Thus, the Ti-decorated g-C{sub 3}N{sub 4} monolayer is suggested to be a promising material for hydrogen storage suggested by the DOE for commercial applications.

Texas Hydrogen Highway Fuel Cell Hybrid Bus and Fueling Infrastructure Technology Showcase - Final Scientific/Technical Report

Energy Technology Data Exchange (ETDEWEB)

Hitchcock, David

2012-06-29

The Texas Hydrogen Highway project has showcased a hydrogen fuel cell transit bus and hydrogen fueling infrastructure that was designed and built through previous support from various public and private sector entities. The aim of this project has been to increase awareness among transit agencies and other public entities on these transportation technologies, and to place such technologies into commercial applications, such as a public transit agency. The initial project concept developed in 2004 was to show that a skid-mounted, fully-integrated, factory-built and tested hydrogen fueling station could be used to simplify the design, and lower the cost of fueling infrastructure for fuel cell vehicles. The approach was to design, engineer, build, and test the integrated fueling station at the factory then install it at a site that offered educational and technical resources and provide an opportunity to showcase both the fueling station and advanced hydrogen vehicles. The two primary technology components include: Hydrogen Fueling Station: The hydrogen fueling infrastructure was designed and built by Gas Technology Institute primarily through a funding grant from the Texas Commission on Environmental Quality. It includes hydrogen production, clean-up, compression, storage, and dispensing. The station consists of a steam methane reformer, gas clean-up system, gas compressor and 48 kilograms of hydrogen storage capacity for dispensing at 5000 psig. The station is skid-mounted for easy installation and can be relocated if needed. It includes a dispenser that is designed to provide temperaturecompensated fills using a control algorithm. The total station daily capacity is approximately 50 kilograms. Fuel Cell Bus: The transit passenger bus built by Ebus, a company located in Downey, CA, was commissioned and acquired by GTI prior to this project. It is a fuel cell plug-in hybrid electric vehicle which is ADA compliant, has air conditioning sufficient for Texas operations

Innovative Elution Processes for Recovering Uranium and Transition Metals from Amidoxime-based Adsorbents

Energy Technology Data Exchange (ETDEWEB)

Wai, Chien M. [Univ. of Idaho, Moscow, ID (United States). Dept. of Chemistry

2017-04-18

Amidoxime-based polymer fibers are considered one of the most promising materials for sequestering uranium from seawater. The high-surface-area polymer fibers containing amidoxime and carboxylate groups synthesized by Oak Ridge National Lab (ORNL-AF1) show very high uranium adsorption capacities known in the literature. Effective elution of uranium and repeated use of the adsorbent are important factors affecting the cost of producing uranium from seawater using this material. Traditional acid leaching of uranium followed by KOH conditioning of the fiber causes chemical changes and physical damage to the ORNL-AF1 adsorbent. Two alkaline solution leaching methods were developed by this project, one uses a highly concentrated (3 M) potassium bicarbonate solution at pH 8.3 and 40 °C; the other uses a mixture of sodium carbonate and hydrogen peroxide at pH 10.4. Both elution methods do not require KOH conditioning prior to reusing the fiber adsorbent. The conditions of eluting uranium from the amidoxime-based adsorbent using these alkaline solutions are confirmed by thermodynamic calculations. The bicarbonate elution method is selective for uranium recovery compared to other elution methods and causes no chemical change to the fiber material based on FTIR spectroscopy

Startech Hydrogen Production Final Technical Report

Energy Technology Data Exchange (ETDEWEB)

Startech Engineering Department

2007-11-27

The assigned work scope includes the modification and utilization of the Plasma Converter System, Integration of a StarCell{trademark} Multistage Ceramic Membrane System (StarCell), and testing of the integrated systems towards DOE targets for gasification and membrane separation. Testing and evaluation was performed at the Startech Engineering and Demonstration Test Center in Bristol, CT. The Objectives of the program are as follows: (1) Characterize the performance of the integrated Plasma Converter and StarCell{trademark} Systems for hydrogen production and purification from abundant and inexpensive feedstocks; (2) Compare integrated hydrogen production performance to conventional technologies and DOE benchmarks; (3) Run pressure and temperature testing to baseline StarCell's performance; and (4) Determine the effect of process contaminants on the StarCell{trademark} system.

Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations.

Science.gov (United States)

Chen, Yuhong; Wang, Jing; Yuan, Lihua; Zhang, Meiling; Zhang, Cairong

2017-08-02

The generalized gradient approximation (GGA) function based on density functional theory is adopted to investigate the optimized geometrical structure, electron structure and hydrogen storage performance of Sc modified porous graphene (PG). It is found that the carbon ring center is the most stable adsorbed position for a single Sc atom on PG, and the maximum number of adsorbed H₂ molecules is four with the average adsorption energy of -0.429 eV/H₂. By adding a second Sc atom on the other side of the system, the hydrogen storage capacity of the system can be improved effectively. Two Sc atoms located on opposite sides of the PG carbon ring center hole is the most suitable hydrogen storage structure, and the hydrogen storage capacity reach a maximum 9.09 wt % at the average adsorption energy of -0.296 eV/H₂. The adsorption of H₂ molecules in the PG system is mainly attributed to orbital hybridization among H, Sc, and C atoms, and Coulomb attraction between negatively charged H₂ molecules and positively charged Sc atoms.

Quantum chemical investigation on the role of Li adsorbed on anatase (101) surface nano-materials on the storage of molecular hydrogen.

Science.gov (United States)

Srinivasadesikan, V; Raghunath, P; Lin, M C

2015-06-01

Lithiation of TiO2 has been shown to enhance the storage of hydrogen up to 5.6 wt% (Hu et al. J Am Chem Soc 128:11740-11741, 2006). The mechanism for the process is still unknown. In this work we have carried out a study on the adsorption and diffusion of Li atoms on the surface and migration into subsurface layers of anatase (101) by periodic density functional theory calculations implementing on-site Coulomb interactions (DFT+U). The model consists of 24 [TiO2] units with 11.097 × 7.655 Å(2) surface area. Adsorption energies have been calculated for different Li atoms (1-14) on the surface. A maximum of 13 Li atoms can be accommodated on the surface at two bridged O, Ti-O, and Ti atom adsorption sites, with 83 kcal mol(-1) adsorption energy for a single Li atom adsorbed between two bridged O atoms from where it can migrate into the subsurface layer with 27 kcal mol(-1) energy barrier. The predicted adsorption energies for H2 on the lithiated TiO2 (101) surface with 1-10 Li atoms revealed that the highest adsorption energies occurred on 1-Li, 5-Li, and 9-Li surfaces with 3.5, 4.4, and 7.6 kcal mol(-1), respectively. The values decrease rapidly with additional H2 co-adsorbed on the lithiated surfaces; the maximum H2 adsorption on the 9Li-TiO2(a) surface was estimated to be only 0.32 wt% under 100 atm H2 pressure at 77 K. The result of Bader charge analysis indicated that the reduction of Ti occurred depending on the Li atoms covered on the TiO2 surface.

Hydrogen production by supercritical water gasification of biomass. Phase 1 -- Technical and business feasibility study, technical progress report

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-12-01

The nine-month Phase 1 feasibility study was directed toward the application of supercritical water gasification (SCWG) for the economical production and end use of hydrogen from renewable energy sources such as sewage sludge, pulp waste, agricultural wastes, and ultimately the combustible portion of municipal solid waste. Unique in comparison to other gasifier systems, the properties of supercritical water (SCW) are ideal for processing biowastes with high moisture content or contain toxic or hazardous contaminants. During Phase I, an end-to-end SCWG system was evaluated. A range of process options was initially considered for each of the key subsystems. This was followed by tests of sewage sludge feed preparation, pumping and gasification in the SCW pilot plant facility. Based on the initial process review and successful pilot-scale testing, engineering evaluations were performed that defined a baseline system for the production, storage and end use of hydrogen. The results compare favorably with alternative biomass gasifiers currently being developed. The results were then discussed with regional wastewater treatment facility operators to gain their perspective on the proposed commercial SCWG systems and to help define the potential market. Finally, the technical and business plans were developed based on perceived market needs and the projected capital and operating costs of SCWG units. The result is a three-year plan for further development, culminating in a follow-on demonstration test of a 5 MT/day system at a local wastewater treatment plant.

Poorly crystalline hydroxyapatite: A novel adsorbent for enhanced fulvic acid removal from aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Wei, Wei [Department of Environmental Science and Engineering, Nanjing Normal University, Nanjing 210023 (China); Jiangsu Provincial Key Laboratory of Materials Cycling and Pollution Control, Nanjing Normal University, Nanjing 210023 (China); Jiangsu Center for Collaborative Innovation in Geographical Information Resource Development and Application, Nanjing Normal University, Nanjing 210023 (China); Yang, Lei; Zhong, Wenhui; Cui, Jing [Department of Environmental Science and Engineering, Nanjing Normal University, Nanjing 210023 (China); Wei, Zhenggui, E-mail: weizhenggui@gmail.com [Department of Environmental Science and Engineering, Nanjing Normal University, Nanjing 210023 (China); Jiangsu Provincial Key Laboratory of Materials Cycling and Pollution Control, Nanjing Normal University, Nanjing 210023 (China); Jiangsu Center for Collaborative Innovation in Geographical Information Resource Development and Application, Nanjing Normal University, Nanjing 210023 (China)

2015-03-30

Graphical abstract: - Highlights: • Poorly crystalline HAP was firstly used for FA removal from aqueous solution. • The maximum adsorption capacity was determined to be 90.20 mg/g at 318 K. • Adsorption kinetics, isotherms and thermodynamic have been studied in detail. • Adsorption mechanism involved surface complexation, electrostatic interaction and hydrogen bonding. - Abstract: In this study, poorly crystalline hydroxyapatite (HAP) was developed as an efficient adsorbent for the removal of fulvic acid (FA) from aqueous solution. Surface functionality, crystallinity, and morphology of the synthetic adsorbent were studied by Fourier-transformation infrared (FT-IR) spectroscopy, powder X-ray diffraction (XRD) and transmission electron microscopy (TEM). The effects of various parameters such as crystallinity of adsorbent, contact time, adsorbent dosage, pH, initial adsorbate concentration, temperature, ionic strength and the presence of alkaline earth metal ions on FA adsorption were investigated. Results indicated that the nanosized HAP calcined at lower temperature was poorly crystalline (X{sub c} = 0.23) and had better adsorption capacity for FA than those (X{sub c} = 0.52, 0.86) calcined at higher temperature. FA removal was increased with increases of adsorbent dosage, temperature, ionic strength and the presence of alkali earth metal ions, but decreased as the pH increased. Kinetic studies showed that pseudo-second-order kinetic model better described the adsorption process. Equilibrium data were best described by Sips models, and the estimated maximum adsorption capacity of poorly crystalline HAP was 90.20 mg/g at 318 K, displaying higher efficiency for FA removal than previously reported adsorbents. FT-IR results revealed that FA adsorption over the adsorbent could be attributed to the surface complexation between the oxygen atom of functional groups of FA and calcium ions of HAP. Regeneration studies indicated that HAP could be recyclable for a long

Complete braided adsorbent for marine testing to demonstrate 3g-U/kg-adsorbent

Energy Technology Data Exchange (ETDEWEB)

Janke, Chris [ORNL; Yatsandra, Oyola [ORNL; Mayes, Richard [ORNL; none,; Gill, Gary [PNNL; Li-Jung, Kuo [PNNL; Wood, Jordana [PNNL; Sadananda, Das [ORNL

2014-04-30

ORNL has manufactured four braided adsorbents that successfully demonstrated uranium adsorption capacities ranging from 3.0-3.6 g-U/kg-adsorbent in marine testing at PNNL. Four new braided and leno woven fabric adsorbents have also been prepared by ORNL and are currently undergoing marine testing at PNNL.

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. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Onboard Hydrogen/Helium Sensors in Support of the Global Technical Regulation: An Assessment of Performance in Fuel Cell Electric Vehicle Crash Tests

Energy Technology Data Exchange (ETDEWEB)

Post, M. B.; Burgess, R.; Rivkin, C.; Buttner, W.; O' Malley, K.; Ruiz, A.

2012-09-01

Automobile manufacturers in North America, Europe, and Asia project a 2015 release of commercial hydrogen fuel cell powered light-duty road vehicles. These vehicles will be for general consumer applications, albeit initially in select markets but with much broader market penetration expected by 2025. To assure international harmony, North American, European, and Asian regulatory representatives are striving to base respective national regulations on an international safety standard, the Global Technical Regulation (GTR), Hydrogen Fueled Vehicle, which is part of an international agreement pertaining to wheeled vehicles and equipment for wheeled vehicles.

Revamping of existent chlor-alkali plants for conversion of hydrogen to electricity, hydrogen community germination step

Energy Technology Data Exchange (ETDEWEB)

Iordache, Ioan; Laurentiu, Patularu [National R and D Institute for Cryogenics and Isotopic Technologies - ICSI, Rm. Valcea (Romania); Delfrate, Alessandro [UHDENORA SpA (Italy); Iordache, Mihaela [National R and D Institute for Industrial Ecology - ECOIND, Rm. Valcea (Romania)

2010-07-01

The transition towards hydrogen becoming widespread in future energy systems and may be one of the greatest social and technical challenges facing society. A wide range of stakeholders will need to work together over extended periods of time to make the sustainable hydrogen ''vision'' a reality. Community-based projects are seen as a route to stimulate the start of the transformation, leading to more widespread early adoption of these new technologies. Valcea have premises to develop some local projects in order to become a Hydrogen Community. This ''Community'' fulfills both an economic-technical background and a scientifically potential. (orig.)

Orientational epitaxy in adsorbed monolayers

International Nuclear Information System (INIS)

Novaco, A.D.; McTague, J.P.

1977-01-01

The ground state for adsorbed monolayers on crystalline substrates is shown to involve a definite relative orientation of the substrate and adsorbate crystal axes, even when the relative lattice parameters are incommensurate. The rotation angle which defines the structure of the monolayer-substrate system is determined by the competition between adsorbate-substrate and adsorbate-adsorbate energy terms, and is generally not a symmetry angle. Numerical predictions are presented for the rare gas-graphite systems, whose interaction potentials are rather well known. Recent LEED data for some of these systems appear to corroborate these predictions

The effect of plutonium dioxide water surface coverage on the generation of hydrogen and oxygen

Energy Technology Data Exchange (ETDEWEB)

Veirs, Douglas K. [Los Alamos National Laboratory; Berg, John M. [Los Alamos National Laboratory; Crowder, Mark L. [Savannah River National Laboratory

2012-06-20

The conditions for the production of oxygen during radiolysis of water adsorbed onto plutonium dioxide powder are discussed. Studies in the literature investigating the radiolysis of water show that both oxygen and hydrogen can be generated from water adsorbed on high-purity plutonium dioxide powder. These studies indicate that there is a threshold in the amount of water below which oxygen is not generated. The threshold is associated with the number of monolayers of adsorbed water and is shown to occur at approximately two monolayers of molecularly adsorbed water. Material in equilibrium with 50% relative humidity (RH) will be at the threshold for oxygen generation. Using two monolayers of molecularly adsorbed water as the threshold for oxygen production, the total pressure under various conditions is calculated assuming stoichiometric production of hydrogen and oxygen. The specific surface area of the oxide has a strong effect on the final partial pressure. The specific surface areas resulting in the highest pressures within a 3013 container are evaluated. The potential for oxygen generation is mitigated by reduced relative humidity, and hence moisture adsorption, at the oxide surface which occurs if the oxide is warmer than the ambient air. The potential for oxygen generation approaches zero as the temperature difference between the ambient air and the material approaches 6 C.

Noble gas separation from nuclear reactor effluents using selective adsorption with inorganic adsorbents

International Nuclear Information System (INIS)

Pence, D.T.; Paplawsky, W.J.

1981-01-01

A radioactive waste gas treatment system utilizing selective adsorption on inorganic adsorbents is described for application to PWRs. The system operates at near ambient pressure, does not require a hydrogen recombiner, has low radioactive gas inventories, and is cost competitive with existing treatment systems. The proposed technique is also applicable for recovery of noble gases from the containment building of a nuclear reactor after an accident. A system design for this application is also presented

Hydrogen for automotive applications and beyond

Energy Technology Data Exchange (ETDEWEB)

Eberle, U. [Adam Opel GmbH, Ruesselsheim (Germany)

2010-12-30

The energy storage system is of decisive importance for all types of electric vehicles, in contrast to the case of vehicles powered by a conventional fossil fuel or bio-fuel based internal combustion engine. Two major alternatives exist and need to be discussed: on the one hand, there is the possibility of electrical energy storage using batteries, whilst on the other hand there is the storage of energy in chemical form as hydrogen and the application of a fuel cell as energy converter. Considering the latter concept, 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. (orig.)

Final Technical Report: Hawaii Hydrogen Center for Development and Deployment of Distributed Energy Systems

Energy Technology Data Exchange (ETDEWEB)

Rocheleau, Richard E.

2008-09-30

-efficiency CIGS and a-Si:H with operating features compatible with high-efficiency photoelectrochemical (PEC) water-splitting. The objective of one activity under the hydrogen production from biomass task was to conduct parametric testing of the Pearson gasifier and to determine the effects of gasifier operating conditions on the gas yields and quality. The hydrogen yield from this gasifier was evaluated in a parametric test series over a range of residence times from 0.8 to 2.2 seconds. H2 concentrations as high as 55% (volume) were measured in the product gas at the longer residence times and this corresponds to a hydrogen yield of 90 kg per tonne of bagasse without gas upgrading. The objective of another activity was to develop hot gas clean-up capabilities for the HNEI gasifier test facility to support hydrogen-from-biomass research. The product gas stream at the outlet of the hot gas filter was characterized for concentrations of permanent gas species and contaminants. Biomass feedstock processing activity included a preliminary investigation into methods for processing sugar cane trash at the Puunene Sugar Factory on the island of Maui, Hawaii. The objective of the investigation was to explore treatment methods that would enable the successful use of cane trash as fuel for the production of hydrogen via gasification. Analyses were completed for the technical and economic feasibility of producing biofuel from photosynthetic marine microbes on a commercial scale. Results included estimates for total costs, energy efficiency, and return on investment. The biohydrogen team undertook a comprehensive review of the field and came to what is considered a realistic conclusion. To summarize, continued research is recommended in the fundamentals of the science related to genetic engineering and specific topics to cover knowledge gaps. In the meantime, the team also advocates continued development of related processes which can be linked to pollution control and other real world

BIG hydrogen: hydrogen technology in the oil and gas sector

International Nuclear Information System (INIS)

2006-01-01

The BIG Hydrogen workshop was held in Calgary, Alberta, Canada on February 13, 2006. About 60 representatives of industry, academia and government attended this one-day technical meeting on hydrogen production for the oil and gas industry. The following themes were identified from the presentations and discussion: the need to find a BIG hydrogen replacement for Steam Methane Reformer (SMR) because of uncertainty regarding cost and availability of natural gas, although given the maturity of SMR process (reliability, known capital cost) how high will H2 prices have to rise?; need for a national strategy to link the near-term and the longer-term hydrogen production requirements, which can take hydrogen from chemical feedstock to energy carrier; and in the near-term Canada should get involved in demonstrations and build expertise in large hydrogen systems including production and carbon capture and sequestration

Development of sulfur- and nitrogen- free hydrogen odorants - An important step toward a safe hydrogen society -

International Nuclear Information System (INIS)

Nakamura, N.; Oshikawa, K.; Hasegawa, H.; Le Lay, M.; Iwase, M.; Braun, N.A.; Eilers, J.; Walz, A.; Vogt, M.; Herr, M.

2006-01-01

We have developed four sulfur-free and nitrogen-free odorants, which can be effectively used to odorize hydrogen. The odors were described through an olfactory test as alarming, strange, and chemical, giving sense of danger to the person who smells the odor. The safety of the material has been assessed and has been shown to be safe for usage. Testing the stability of odorized hydrogen in 80 MPa pressurized state, it was shown for a period of 13 weeks that the odorant retained its warning odor. Using the odorized hydrogen, FC duration test at 0.2 A/cm 2 was carried out for over 900 h without significant decrease in performance or the detectable degradation of MEA. The outlet of the fuel cell had no warning odor, suggesting deodorization on the catalyst. Use of activated charcoal as an adsorbent showed that the deodorization could be effectively carried out, ensuring that normal operation conditions are not perceived as a hydrogen leakage. (authors)

Relative efficiency of hydrogen technologies for the hydrogen economy : a fuzzy AHP/DEA hybrid model approach

International Nuclear Information System (INIS)

Lee, S.

2009-01-01

As a provider of national energy security, the Korean Institute of Energy Research is seeking to establish a long term strategic technology roadmap for a hydrogen-based economy. This paper addressed 5 criteria regarding the strategy, notably economic impact, commercial potential, inner capacity, technical spinoff, and development cost. The fuzzy AHP and DEA hybrid model were used in a two-stage multi-criteria decision making approach to evaluate the relative efficiency of hydrogen technologies for the hydrogen economy. The fuzzy analytic hierarchy process reflects the uncertainty of human thoughts with interval values instead of clear-cut numbers. It therefore allocates the relative importance of 4 criteria, notably economic impact, commercial potential, inner capacity and technical spin-off. The relative efficiency of hydrogen technologies for the hydrogen economy can be measured via data envelopment analysis. It was concluded that the scientific decision making approach can be used effectively to allocate research and development resources and activities

Relative efficiency of hydrogen technologies for the hydrogen economy : a fuzzy AHP/DEA hybrid model approach

Energy Technology Data Exchange (ETDEWEB)

Lee, S. [Korea Inst. of Energy Research, Daejeon (Korea, Republic of). Energy Policy Research Division; Mogi, G. [Tokyo Univ., (Japan). Dept. of Technology Management for Innovation, Graduate School of Engineering; Kim, J. [Korea Inst. of Energy Research, Daejeon (Korea, Republic of)

2009-07-01

As a provider of national energy security, the Korean Institute of Energy Research is seeking to establish a long term strategic technology roadmap for a hydrogen-based economy. This paper addressed 5 criteria regarding the strategy, notably economic impact, commercial potential, inner capacity, technical spinoff, and development cost. The fuzzy AHP and DEA hybrid model were used in a two-stage multi-criteria decision making approach to evaluate the relative efficiency of hydrogen technologies for the hydrogen economy. The fuzzy analytic hierarchy process reflects the uncertainty of human thoughts with interval values instead of clear-cut numbers. It therefore allocates the relative importance of 4 criteria, notably economic impact, commercial potential, inner capacity and technical spin-off. The relative efficiency of hydrogen technologies for the hydrogen economy can be measured via data envelopment analysis. It was concluded that the scientific decision making approach can be used effectively to allocate research and development resources and activities.

Hydrogen bonding-mediated dehydrogenation in the ammonia borane combined graphene oxide systems

Science.gov (United States)

Kuang, Anlong; Liu, Taijuan; Kuang, Minquan; Yang, Ruifeng; Huang, Rui; Wang, Guangzhao; Yuan, Hongkuan; Chen, Hong; Yang, Xiaolan

2018-03-01

The dehydrogenation of ammonia borane (AB) adsorbed on three different graphene oxide (GO) sheets is investigated within the ab initio density functional theory. The energy barriers to direct combination the hydrogens of hydroxyl groups and the hydridic hydrogens of AB to release H2 are relatively high, indicating that the process is energetically unfavorable. Our theoretical study demonstrates that the dehydrogenation mechanism of the AB-GO systems has undergone two critical steps, first, there is the formation of the hydrogen bond (O-H-O) between two hydroxyl groups, and then, the hydrogen bond further react with the hydridic hydrogens of AB to release H2 with low reaction barriers.

Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations

Directory of Open Access Journals (Sweden)

Yuhong Chen

2017-08-01

Full Text Available The generalized gradient approximation (GGA function based on density functional theory is adopted to investigate the optimized geometrical structure, electron structure and hydrogen storage performance of Sc modified porous graphene (PG. It is found that the carbon ring center is the most stable adsorbed position for a single Sc atom on PG, and the maximum number of adsorbed H2 molecules is four with the average adsorption energy of −0.429 eV/H2. By adding a second Sc atom on the other side of the system, the hydrogen storage capacity of the system can be improved effectively. Two Sc atoms located on opposite sides of the PG carbon ring center hole is the most suitable hydrogen storage structure, and the hydrogen storage capacity reach a maximum 9.09 wt % at the average adsorption energy of −0.296 eV/H2. The adsorption of H2 molecules in the PG system is mainly attributed to orbital hybridization among H, Sc, and C atoms, and Coulomb attraction between negatively charged H2 molecules and positively charged Sc atoms.

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

Energy Technology Data Exchange (ETDEWEB)

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

2011-05-15

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

Technical and economical feasibility studies and preliminary plan of a heavy water plant by the criogenic distillation method of hydrogen

International Nuclear Information System (INIS)

Dias Vargas, F.

1983-01-01

This paper presents the pre-feasibility study of a heavy water production plant, both from the technical and economical point of view. Criogenic distillation of hydrogen is used as the final enrichment stage. The deuterium source is water treated previously by a process of enrichment based on the water-hydrogen isotopic exchange. The economical analysis is aimed at the study of the feasibility of the installation of a heavy water moderated reaction in Chile. General properties of heavy water are presented and also the various materials of its enrichment at the industrial scale. The plant itself has a first stage based on the water-hydrogen isotopic exchange procesS, where deuterium is extracted from the water by the hydrogen which is subsequently treated in a criogenic distillation stage. An important fact of the plant analysis is the calculation of heat exchangers mainly in relation to the problem posed by tHe hydrogen's low point of liquifaction. The distillation units are also treated and designed. The economic evaluation produces project diScount rates of 15.71% and 21.97%, for 25 tons/year and 40 tons/year of production capacity. The heavy water price used for these evaluation was 600 $/Kg

Inelastic neutron scattering of H2 adsorbed in HKUST-1

International Nuclear Information System (INIS)

Liu, Y.; Brown, C.M.; Neumann, D.A.; Peterson, V.K.; Kepert, C.J.

2007-01-01

A series of inelastic neutron scattering (INS) investigations of hydrogen adsorbed in activated HKUST-1 (Cu 3 (1,3,5-benzenetricarboxylate) 2 ) result in INS spectra with rich features, even at very low loading ( 2 :Cu). The distinct inelastic features in the spectra show that there are three binding sites that are progressively populated when the H 2 loading is less than 2.0 H 2 :Cu, which is consistent with the result obtained from previous neutron powder diffraction experiments. The temperature dependence of the INS spectra reveals the relative binding enthalpies for H 2 at each site

Hydrogen, Fuel Cells & Infrastructure Technologies Program

Energy Technology Data Exchange (ETDEWEB)

2005-03-01

This plan details the goals, objectives, technical targets, tasks and schedule for EERE's contribution to the DOE Hydrogen Program. Similar detailed plans exist for the other DOE offices that make up the Hydrogen Program.

Interaction of Hydrogen with MOF-5.

Science.gov (United States)

Bordiga, Silvia; Vitillo, Jenny G; Ricchiardi, Gabriele; Regli, Laura; Cocina, Donato; Zecchina, Adriano; Arstad, Bjørnar; Bjørgen, Morten; Hafizovic, Jasmina; Lillerud, Karl Petter

2005-10-06

Hydrogen storage is among the most demanding challenges in the hydrogen-based energy cycle. One proposed strategy for hydrogen storage is based on physisorption on high surface area solids such as metal-organic frameworks (MOFs). Within this class of materials, MOF-5 has been the first structure studied for hydrogen storage. The IR spectroscopy of adsorbed H2 performed at 15 K and ab initio calculations show that the adsorptive properties of this material are mainly due to dispersive interactions with the internal wall structure and to weak electrostatic forces associated with O13Zn4 clusters. Calculated and measured binding enthalpies are between 2.26 and 3.5 kJ/mol, in agreement with the H2 rotational barriers reported in the literature. A minority of binding sites with higher adsorption enthalpy (7.4 kJ/mol) is also observed. These species are probably associated with OH groups on the external surfaces present as termini of the microcrystals.

Electrochemical reduction of hydrogen peroxide on stainless steel

Indian Academy of Sciences (India)

Administrator

wide range of industrial processes such as food processing (e.g. in the ... tron transfer effect of mitochondria.4 These radicals. (reactive .... of H2O2 without undergoing fouling or poisoning due to any inter- .... adsorbed OHads species was shown operative at po- tentials of .... Douglass W C 2003 Hydrogen peroxide medical.

Electric field enhanced hydrogen storage on polarizable materials substrates

Science.gov (United States)

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

2010-01-01

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 H2 molecules is adsorbed on a BN sheet, the binding energy per H2 molecule increases from 0.03 eV/H2 in the field-free case to 0.14 eV/H2 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/H2 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 H2 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. PMID:20133647

Hydrogen Adsorption in Zeolite Studied with Sievert and Thermogravimetric Methods

International Nuclear Information System (INIS)

Lesnicenoks, P; Sivars, A; Grinberga, L; Kleperis, J

2012-01-01

Natural clinoptilolite (mixture from clinoptilolite, quartz and muscovite) is activated with palladium and tested for hydrogen adsorption capability at temperatures RT - 200°C. Thermogravimetric and volumetric methods showed that zeolite activated with palladium (1.25%wt) shows markedly high hydrogen adsorption capacity - up to 3 wt%. Lower amount of adsorbed hydrogen (∼1.5 wt%) was found for raw zeolite and activated with higher amount of palladium sample. Hypothesis is proposed that the heating of zeolite in argon atmosphere forms and activates the pore structure in zeolite material, where hydrogen encapsulation (trapping) is believed to occur when cooling down to room temperature. An effect of catalyst (Pd) on hydrogen sorption capability is explained by spillover phenomena were less-porous fractions of natural clinoptilolite sample (quartz and muscovite) are involved.

Hydrogen adsorption in the series of carbon nanostructures: Graphenes-graphene nanotubes-nanocrystallites

Science.gov (United States)

Soldatov, A. P.; Kirichenko, A. N.; Tat'yanin, E. V.

2016-07-01

A comparative analysis of hydrogen absorption capability is performed for the first time for three types of carbon nanostructures: graphenes, oriented carbon nanotubes with graphene walls (OCNTGs), and pyrocarbon nanocrystallites (PCNs) synthesized in the pores of TRUMEM ultrafiltration membranes with mean diameters ( D m) of 50 and 90 nm, using methane as the pyrolized gas. The morphology of the carbon nanostructures is studied by means of powder X-ray diffraction, X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and transmission electron microscopy (TEM). Hydrogen adsorption is investigated via thermogravimetric analysis (TGA) in combination with mass-spectrometry. It is shown that only OCNTGs can adsorb and store hydrogen, the desorption of which under atmospheric pressure occurs at a temperature of around 175°C. Hydrogen adsorption by OCNTGs is quantitatively determined and found to be about 1.5% of their mass. Applying certain assumptions, the relationship between the mass of carbon required for the formation of single-wall OCNTGs in membrane pores and the surface area of pores is established. Numerical factor Ψ = m dep/ m calc, where m dep is the actual mass of carbon deposited upon the formation of OCNTGs and mcalc is the calculated mass of carbon necessary for the formation of OCNTGs is introduced. It is found that the dependence of specific hydrogen adsorption on the magnitude of the factor has a maximum at Ψ = 1.2, and OCNTGs can adsorb and store hydrogen in the interval 0.4 to 0.6 hydrogen adsorption and its relationship to the structure of carbon nanoformations are examined.

Hydrogen adsorption in carbon nanostructures compared

International Nuclear Information System (INIS)

Schimmel, H.G.; Nijkamp, G.; Kearley, G.J.; Rivera, A.; Jong, K.P. de; Mulder, F.M.

2004-01-01

Recent reports continue to suggest high hydrogen storage capacities for some carbon nanostructures due to a stronger interaction between hydrogen and carbon. Here the interaction of hydrogen with activated charcoal, carbon nanofibers, single walled carbon nanotubes (SWNT), and electron beam 'opened' SWNT are compared and shown to be similar. The storage capacity below 77 K of these materials correlates with the surface area of the material with the activated charcoal having the largest. SWNT and 'opened' SWNT have a relatively low accessible surface area due to bundling of the tubes. Pressure-temperature curves give the interaction potential, which was found to be ∼580 K or 50 meV in all samples, leading to significant adsorption below ∼50 K. Using the inelastic neutron scattering signal associated with rotation of the hydrogen molecule as a sensitive probe for the surroundings of the molecule, no difference was found between the hydrogen molecules adsorbed in the investigated materials. These combined spectroscopic and macroscopic results show that SWNT, nanofibers and activated carbons store molecular hydrogen due to their graphitic nature and not because they possess special morphologies. Results from a density functional theory computer calculation suggest molecular hydrogen bonding to an aromatic C-C bond of graphite, irrespective of the surface morphology farther away

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.

Solubility and diffusivity of hydrogen in enameling steel

Energy Technology Data Exchange (ETDEWEB)

De Gregorio, P.; Valentini, R.; Solina, A.; Gastaldo, F. (Centro Sviluppo Materiali, Rome (Italy) Pisa Univ. (Italy). Dip. di Ingegneria Chimica, Chimica Industriale e Scienza dei Materiali)

1991-06-01

In recent years, continuous casting has almost expelled conventional ingot casting from the steel-making process by its much higher productivity. However, enameling steel sheets doesn't give the steel sufficient resistance to fishscale, as that which is achieved by the inclusions in case of ingot capped steel. Fishscales are caused by hydrogen gas building up pressure at the interface between enamel and steel, resulting in the rupture of enamel. Object of this study, was not only to correlate fishscale susceptibility with metallurgical parameters, but to define the effect of reversible and irreversible traps on hydrogen solubility and diffusivity in enameling steel. Hydrogen permeation was studied, in low carbon enameling steel, with an electrochemical technique developed by Devanathan and co-workers. This method was used to calculate concentrations of irreversibly adsorbed hydrogen and evaluate hydrogen diffusion coefficients. The results on reversible traps correlated with micro-voids formations around the carbide precipitate, while the irreversible traps correlated with inclusions and precipitate content.

Structural and electronic properties of hydrogen adsorptions on BC3 sheet and graphene: a comparative study

International Nuclear Information System (INIS)

Chuang, Feng-Chuan; Huang, Zhi-Quan; Lin, Wen-Huan; Albao, Marvin A; Su, Wan-Sheng

2011-01-01

We have systematically investigated the effect of hydrogen adsorption on a single BC 3 sheet as well as graphene using first-principles calculations. Specifically, a comparative study of the energetically favorable atomic configurations for both H-adsorbed BC 3 sheets and graphene at different hydrogen concentrations ranging from 1/32 to 4/32 ML and 1/8 to 1 ML was undertaken. The preferred hydrogen arrangement on the single BC 3 sheet and graphene was found to have the same property as that of the adsorbed H atoms on the neighboring C atoms on the opposite sides of the sheet. Moreover, at low coverage of H, the pattern of hydrogen adsorption on the BC 3 shows a proclivity toward formation on the same ring, contrasting their behavior on graphene where they tend to form the elongated zigzag chains instead. Lastly, both the hydrogenated BC 3 sheet and graphene exhibit alternation of semiconducting and metallic properties as the H concentration is increased. These results suggest the possibility of manipulating the bandgaps in a single BC 3 sheet and graphene by controlling the H concentrations on the BC 3 sheet and graphene.

Hydrogen adsorption on partially oxidised microporous carbons

International Nuclear Information System (INIS)

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

2005-01-01

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

Selective Electrochemical Generation of Hydrogen Peroxide from Water Oxidation

DEFF Research Database (Denmark)

Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Nørskov, Jens K.

2015-01-01

evolution and form hydrogen peroxide. Using density functional theory calculations, we show that the free energy of adsorbed OH* can be used to determine selectivity trends between the 2e(-) water oxidation to H2O2 and the 4e(-) oxidation to O2. We show that materials which bind oxygen intermediates...... sufficiently weakly, such as SnO2, can activate hydrogen peroxide evolution. We present a rational design principle for the selectivity in electrochemical water oxidation and identify new material candidates that could perform H2O2 evolution selectively....

Positronium chemistry in porous adsorbents

International Nuclear Information System (INIS)

Foti, G.; Nagy, L.G.; Moravcsik, G.; Schay, G.

1981-01-01

Kinetic studies on the annihilation of orthopositronium in porous adsorbents have been performed using lifetime spectroscopy. The positron source applied was 22 Na with 0.2 MBq activity. The adsorbents investigated were silica gels of different particle size and pore structure. The appearance of the long-lived component in the lifetime spectra can be explained by the diffusion of the orthopositronium into the pores affected by the particle size and the pore size of the adsorbent, the coverage on it and the chemical nature of the adsorbate. The long-term aim of the work is to determine and to explain these effects. (author)

Computational investigation of hydrogen storage on B5V3

Science.gov (United States)

Guo, Chen; Wang, Chong

2018-05-01

Based on density functional theory method with 6-311+G(d,p) basis set, the structures, stability and hydrogen storage capacity of B5V3 have been theoretically investigated. It is found that a maximum of seven hydrogen molecules can be adsorbed on B5V3 with gravimetric uptake capacity of 6.39 wt%. The uptake capacity exceeds the target set by the US Department of Energy for vehicular application. Moreover, the average adsorption energy of B5V3 01 (7H2) is 0.60 eV/H2 in the desirable range of reversible hydrogen storage. The kinetic stability of H2 adsorbed on B5V3 01 is confirmed by using gap between highest occupied molecular orbital (HOMO)and the lowest unoccupied molecular orbital (LUMO). The gap value of B5V3 01 (7H2) is 2.81 eV, which indicates the compound with high stability. In addition, the thermochemistry calculation (Gibbs free energy corrected adsorption energy) is used to analyse if the adsorption is favourable or not at different temperatures. It can be found that the Gibbs corrected adsorption energy of B5V3 01 (7H2) is still positive at 400 K at 1 atm. It means that the adsorption of seven hydrogen molecules on B5V3 01 is energetically favourable in a fairly wide temperature range. All the results show that B5V3 01 can be considered as a promising material for hydrogen storage.

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. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Development of Hydrogen Education Programs for Government Officials

Energy Technology Data Exchange (ETDEWEB)

Baxter, Shannon [South Carolina Hydrogen and Fuel Cell Alliance, Columbia, SC (United States); Keller, Russ [Advanced Technology International, Cedarburg, WI (United States)

2016-03-08

1. Subcontractor/Technical Subject Matter Expert (Tasks 1-3) 2. Technical lead for LFG cleanup and hydrogen production systems Support for Feasibility Study 3. Technical Lead for Feasibility Study Coordination of site preparation activities for all project equipment 4. Host site

Facile preparation of highly hydrophilic, recyclable high-performance polyimide adsorbents for the removal of heavy metal ions

Energy Technology Data Exchange (ETDEWEB)

Huang, Jieyang; Zheng, Yaxin; Luo, Longbo; Feng, Yan [State Key Laboratory of Polymer Material and Engineering, College of Polymer Science and Engineering, Sichuan University, Chengdu 610065 (China); Zhang, Chaoliang [State Key Laboratory of Oral Diseases, West China College of Stomatology, Sichuan University, Chengdu 610041 (China); Wang, Xu, E-mail: wx19861027@163.com [State Key Laboratory of Polymer Material and Engineering, College of Polymer Science and Engineering, Sichuan University, Chengdu 610065 (China); Liu, Xiangyang, E-mail: lxy6912@sina.com [State Key Laboratory of Polymer Material and Engineering, College of Polymer Science and Engineering, Sichuan University, Chengdu 610065 (China)

2016-04-05

Highlights: • High-performance polyimide was used as heavy metal adsorbents. • The contradiction between hydrophilicity and high performance of PI was solved. • Adsorption amount for Cu{sup 2+} of PI/silica was 77 times higher than that of PI. • The adsorption ability remained steady for more than 50 recycling processes. - Abstract: To obtain high-performance adsorbents that combine excellent adsorption ability, thermal stability, service life and recycling ability, polyimide (PI)/silica powders were prepared via a facile one-pot coprecipitation process. A benzimidazole unit was introduced into the PI backbone as the adsorption site. The benzimidazole unit induced more hydroxyls onto the silica, which provided hydrophilic sites for access by heavy metal ions. By comprehensively analyzing the effect of hydrophilcity, agglomeration, silica polycondensation, specific surface area and PI crystallinity, 10% was demonstrated to be the most proper feed silica content. The equilibrium adsorption amount (Q{sub e}) for Cu{sup 2+} of PI/silica adsorbents was 77 times higher than that of pure PI. Hydrogen chloride (HCl) was used as a desorbent for heavy metal ions and could be decomplexed with benzimidazole unit at around 300 °C, which was lower than the glass transition temperature of PI. The complexation and decomplexation process of HCl made PI/silica adsorbents recyclable, and the adsorption ability remained steady for more than 50 recycling processes. As PI/silica adsorbents possess excellent thermal stability, chemical resistance and radiation resistance and hydrophilicity, they have potential as superior recyclable adsorbents for collecting heavy metal ions from waste water in extreme environments.

Hydrogenation of benzaldehyde via electrocatalysis and thermal catalysis on carbon-supported metals

Energy Technology Data Exchange (ETDEWEB)

Song, Yang; Sanyal, Udishnu; Pangotra, Dhananjai; Holladay, Jamelyn D.; Camaioni, Donald M.; Gutierrez-Tinoco, Oliver Y.; Lercher, Johannes A.

2018-03-01

Abstract Selective reduction of benzaldehyde to benzyl alcohol on C-supported Pt, Rh, Pd, and Ni in aqueous phase was conducted using either directly H2 (thermal catalytic hydrogenation, TCH) or in situ electrocatalytically generated hydrogen (electrocatalytic hydrogenation, ECH). In TCH, the intrinsic activity of the metals at room temperature and 1 bar H2 increased in the sequence Rh/C < Pt/C < Pd/C, while Ni/C is inactive at these conditions due to surface oxidation in the absence of cathodic potential. The reaction follows a Langmuir-Hinshelwood mechanism with the second hydrogen addition to the adsorbed hydrocarbon being the rate-determining step. All tested metals were active in ECH of benzaldehyde, although hydrogenation competes with the hydrogen evolution reaction (HER). The minimum cathodic potentials to obtain appreciable ECH rates were identical to the onset potentials of HER. Above this onset, the relative rates of H reacting to H2 and H addition to the hydrocarbon determines the selectivity to ECH and TCH. Accordingly, the selectivity of the metals towards ECH increases in the order Ni/C < Pt/C < Rh/C < Pd/C. Pd/C shows exceptionally high ECH selectivity due to its surprisingly low HER reactivity under the reaction conditions. Acknowledgements The authors would like to thank the groups of Hubert A. Gasteiger at the Technische Universität München of Jorge Gascon at the Delft University of Technology for advice and valuable discussions. The authors are grateful to Nirala Singh, Erika Ember, Gary Haller, and Philipp Rheinländer for fruitful discussions. We are also grateful to Marianne Hanzlik for TEM measurements and to Xaver Hecht and Martin Neukamm for technical support. Y.S. would like to thank the Chinese Scholarship Council for the financial support. The research described in this paper is part of the Chemical Transformation Initiative at Pacific Northwest National Laboratory (PNNL), conducted under the Laboratory Directed Research and

Cost analysis of seawater uranium recovered by a polymeric adsorbent system

International Nuclear Information System (INIS)

Schneider, E.; Lindner, H.; Sachde, D.; Flicker, M.

2014-01-01

In tandem with its adsorbent development and marine testing efforts, the United States Department of Energy, Office of Nuclear Energy, routinely updates and expands its cost analysis of technologies for extracting uranium from seawater. If informed by repeatable data from field tests, a rigorous cost analysis can convincingly establish seawater uranium as a “backstop” to conventional uranium resources. A backstop provides an essentially unlimited supply of an otherwise exhaustible resource. Its role is to remove the uncertainty around the long-term sustainability of the resource. The cost analysis ultimately aims to demonstrate a uranium production cost that is sustainable for the nuclear power industry, with no insurmountable technical or environmental roadblocks. It is also a tool for guiding further R&D, identifying inputs and performance factors where further development would offer the greatest reduction in costs and/or uncertainties. A life cycle discounted cash flow methodology is used to calculate the uranium production cost and its uncertainty from the costs of fundamental inputs including chemicals and materials, labor, equipment, energy carriers and facilities. The inputs themselves are defined by process flow models of the adsorbent fabrication and grafting, mooring at sea, recovery, and elution and purification steps in the seawater uranium recovery process. Pacific Northwest National Laboratory (PNNL) has carried out marine tests of the Oak Ridge National Laboratory amidoxime grafted polymer adsorbent in natural seawater. Multiple test campaigns demonstrated that after 60 days of immersion the uranium uptake averaged 3090 ± 310 μg U/g of adsorbent. Past ocean experiments on similar material by the Japan Atomic Energy Agency (JAEA) demonstrated that the adsorbent may be used in the sea six times before being replaced, with 5% uptake degradation per reuse. The mooring and recovery system envisioned for the adsorbent is similar to one proposed by

Commodity hydrogen from off-peak electricity

Energy Technology Data Exchange (ETDEWEB)

Darrow, K.; Biederman, N.; Konopka, A.

1977-01-01

This paper considers the use of off-peak electrical power as an energy source for the electrolytic production of hydrogen. The present industrial uses for hydrogen are examined to determine if hydrogen produced in this fashion would be competitive with the industry's onsite production or existing hydrogen prices. The paper presents a technical and economic feasibility analysis of the various components required and of the operation of the system as a whole including production, transmission, storage, and markets.

IEA Hydrogen Implementing Agreement: Three Decades of Collaborative Hydrogen R and D

International Nuclear Information System (INIS)

Nick Beck; Mary-Rose de Valladares

2006-01-01

Created in 1977 and now in its Second Generation of Hydrogen R, D and D, the International Energy Agency (IEA) Hydrogen Implementing Agreement (HIA) is the oldest, largest international collaboration on hydrogen Research, Development and Demonstration (RD and D). As a global resource for technical expertise in hydrogen R, D and D, the HIA has expanded worldwide opportunities for hydrogen by undertaking 21 annexes (or tasks) on hydrogen production, storage, analysis of integrated systems and related topics with its 19 member countries. Related topics include hydrogen safety, conversion, economics and markets. The majority of the HIA's R and D portfolio has focused on longer term, pre-competitive R, D and D issues. Of the 21 annexes undertaken by the HIA, 15 are now complete. The HIA is also committed to outreach in support of both its core R and D activities and related issues such as regulation and infrastructure. As ever, the HIA welcomes collaboration and liaison with interested groups in the public and private sectors. (authors)

Iodine removal adsorbent histories, aging and regeneration

International Nuclear Information System (INIS)

Hunt, J.R.; Rankovic, L.; Lubbers, R.; Kovach, J.L.

1976-01-01

The experience of efficiency changes with life under various test conditions is described. The adsorbents were periodically removed from both standby and continuously operating systems and tested under various test methods for residual iodine adsorption efficiency. Adsorbent from several conventional ''sampler'' cartridges versus the bulk adsorbent was also tested showing deficiency in the use of cartridge type sampling. Currently required test conditions were found inadequate to follow the aging of the adsorbent because pre-equilibration of the sample acts as a regenerant and the sample is not tested in the ''as is'' condition. The most stringent test was found to be the ambient temperature, high humidity test to follow the aging of the adsorbent. Several methods were evaluated to regenerate used adsorbents; of these high temperature steaming and partial reimpregnation were found to produce adsorbents with near identical properties of freshly prepared adsorbents

Hydrogen, energy of the future?

International Nuclear Information System (INIS)

Alleau, Th.

2007-01-01

A cheap, non-polluting energy with no greenhouse gas emissions and unlimited resources? This is towards this fantastic future that this book brings us, analyzing the complex but promising question of hydrogen. The scientific and technical aspects of production, transport, storage and distribution raised by hydrogen are thoroughly reviewed. Content: I) Energy, which solutions?: 1 - hydrogen, a future; 2 - hydrogen, a foreseeable solution?; II) Hydrogen, an energy vector: 3 - characteristics of hydrogen (physical data, quality and drawbacks); 4 - hydrogen production (from fossil fuels, from water, from biomass, bio-hydrogen generation); 5 - transport, storage and distribution of hydrogen; 6 - hydrogen cost (production, storage, transport and distribution costs); III) Fuel cells and ITER, utopias?: 7 - molecular hydrogen uses (thermal engines and fuel cells); 8 - hydrogen and fusion (hydrogen isotopes, thermonuclear reaction, ITER project, fusion and wastes); IV) Hydrogen acceptability: 9 - risk acceptability; 10 - standards and regulations; 11 - national, European and international policies about hydrogen; 12 - big demonstration projects in France and in the rest of the world; conclusion. (J.S.)

Theoretical Insight of Physical Adsorption for a Single-Component Adsorbent + Adsorbate System: I. Thermodynamic Property Surfaces

KAUST Repository

Chakraborty, Anutosh

2009-02-17

Thermodynamic property surfaces for a single-component adsorbent + adsorbate system are derived and developed from the viewpoint of classical thermodynamics, thermodynamic requirements of chemical equilibrium, Gibbs law, and Maxwell relations. They enable us to compute the entropy and enthalpy of the adsorbed phase, the isosteric heat of adsorption, specific heat capacity, and the adsorbed phase volume thoroughly. These equations are very simple and easy to handle for calculating the energetic performances of any adsorption system. We have shown here that the derived thermodynamic formulations fill up the information gap with respect to the state of adsorbed phase to dispel the confusion as to what is the actual state of the adsorbed phase. We have also discussed and established the temperature-entropy diagrams of (i) CaCl 2-in-silica gel + water system for cooling applications, and (ii) activated carbon (Maxsorb III) + methane system for gas storage. © Copyright 2009 American Chemical Society.

Factors determining the activity of catalysts of various chemical types in the oxidation of hydrogen. I. Oxidation and isotope exchange of hydrogen on cobalt monoxide-oxide

International Nuclear Information System (INIS)

Polgikh, L.Y.; Golodets, G.I.; Il'chenko, N.I.

1985-01-01

On the basis of data on the kinetics of the reaction 2H 2 + O 2 = 2H 2 O isotope exchange H 2 + D 2 = 2HD under the conditions of oxidative catalysis, and the kinetic isotope effect, a mechanism is proposed for the oxidation of hydrogen on cobalt monoxide-oxide. At low temperatures the reaction proceeds according to a mechanism of alternating reduction-reoxidation of the surface with the participation of hydrogen adsorbed in molecular form; at increased temperature and low P 02 /P /SUB H2/ ratios, a significant contribution to the observed rate is made by a mechanism including dissociative chemisorption of hydrogen

78 FR 18578 - Hydrogen and Fuel Cell Technical Advisory Committee (HTAC)

Science.gov (United States)

2013-03-27

... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy Hydrogen and Fuel Cell... Energy. ACTION: Notice of Open Meeting. SUMMARY: This notice announces an open meeting of the Hydrogen... Avenue, Washington, DC 20585. SUPPLEMENTARY INFORMATION: Purpose of the Committee: The Hydrogen and Fuel...

Theoretical study of hydrogen storage in metal hydrides.

Science.gov (United States)

Oliveira, Alyson C M; Pavão, A C

2018-05-04

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

Milestone Report - Complete New Adsorbent Materials for Marine Testing to Demonstrate 4.5 g-U/kg Adsorbent

Energy Technology Data Exchange (ETDEWEB)

Janke, Christopher James [ORNL; Das, Sadananda [ORNL; Oyola, Yatsandra [ORNL; Mayes, Richard T. [ORNL; Saito, Tomonori [ORNL; Brown, Suree [ORNL; Gill, Gary [PNNL; Kuo, Li-Jung [PNNL; Wood, Jordana [PNNL

2014-08-01

This report describes work on the successful completion of Milestone M2FT-14OR03100115 (8/20/2014) entitled, “Complete new adsorbent materials for marine testing to demonstrate 4.5 g-U/kg adsorbent”. This effort is part of the Seawater Uranium Recovery Program, sponsored by the U.S. Department of Energy, Office of Nuclear Energy, and involved the development of new adsorbent materials at the Oak Ridge National Laboratory (ORNL) and marine testing at the Pacific Northwest National Laboratory (PNNL). ORNL has recently developed two new families of fiber adsorbents that have demonstrated uranium adsorption capacities greater than 4.5 g-U/kg adsorbent after marine testing at PNNL. One adsorbent was synthesized by radiation-induced graft polymerization of itaconic acid and acrylonitrile onto high surface area polyethylene fibers followed by amidoximation and base conditioning. This fiber showed a capacity of 4.6 g-U/kg adsorbent in marine testing at PNNL. The second adsorbent was prepared by atom-transfer radical polymerization of t-butyl acrylate and acrylonitrile onto halide-functionalized round fibers followed by amidoximation and base hydrolysis. This fiber demonstrated uranium adsorption capacity of 5.4 g-U/kg adsorbent in marine testing at PNNL.

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

International Nuclear Information System (INIS)

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

2013-01-01

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

High performance Mo adsorbent PZC

Energy Technology Data Exchange (ETDEWEB)

Anon,

1998-10-01

We have developed Mo adsorbents for natural Mo(n, {gamma}){sup 99}Mo-{sup 99m}Tc generator. Among them, we called the highest performance adsorbent PZC that could adsorb about 250 mg-Mo/g. In this report, we will show the structure, adsorption mechanism of Mo, and the other useful properties of PZC when you carry out the examination of Mo adsorption and elution of {sup 99m}Tc. (author)

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

Science.gov (United States)

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

2015-03-01

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

Study on a hydrogen peroxide biosensor based on horseradish peroxidase/GNPs-thionine/chitosan

International Nuclear Information System (INIS)

Kang Xiaobin; Pang Guangchang; Liang Xinyi; Wang Meng; Liu Jing; Zhu Weiming

2012-01-01

Highlights: ► Glutaraldehyde was used as the bridge linking agent to covalently bonded thionine in chitosan, which is more stable and could effectively prevalent leakage of the electronic mediator. ► The effect of GNPs adsorbed HRP was first accurately characterized by bio-layer interferometry using the ForteBio Octer system. ► The application of self-assembly technology increases the biosensor stability. - Abstract: A novel hydrogen peroxide biosensor based on horseradish peroxidase/GNPs-thionine/chitosan has been developed. Gold nanoparticles fixed with horseradish peroxidase were adsorbed on glassy carbon electrode by the chitosan which cross-linked with the electron mediator of horseradish peroxidase as the bridge linking agent. The assembly procedures were monitored by UV–visible spectral scanning, bio-layer interferometry, cyclic voltammetric and alternating current impedance. The chronoamperometry was used to measure hydrogen peroxide. The hydrogen peroxide biosensor linear range of detection is 1 × 10 −7 –1 × 10 −4 mol/L, detection limit up to 5.0 × 10 −8 mol/L. Moreover the stability, reproducibility and selectivity of the biosensor were also studied and the results confirmed that the biosensor exhibit fast response to hydrogen peroxide and possess high sensitivity, good reproducibility and long-term stability.

Hydrogen adsorption on metal-organic frameworks (MOFs) and single-walled carbon nanotubes (SWNTs)

Energy Technology Data Exchange (ETDEWEB)

Poirier, E.; Chahine, R.; Benard, P.; Lafi, L.; Dorval-Douville, G.; Chandonia, P.-A. [Univ. du Quebec a Trois-Rivieres, Inst. de recherche sur l' hydrogene, Trois-Rivieres, Quebec (Canada)]. E-mail: Lyubov.Lafi@uqtr.ca

2006-07-01

'Full text:' In recent years, several novel carbon-based microporous materials such as single-walled carbon nanotubes (SWNTs) and metal-organic frameworks (MOFs) have been proposed as promising adsorbents for hydrogen. Hydrogen adsorption measurements on Al-, Cr- and Zn-based metal-organic frameworks (MOFs) and single-walled carbon nanotubes (SWNTs) are presented. The measurements were performed at temperatures ranging from 77 to 300K and pressures up to 50 atm using a volumetric approach. The maximum excess adsorption at 77K ranges from 2,8 to 3,9 wt % for the MOFs and from 1,5 to 2,5 wt % for the SWNTs. These values are reached at pressures below 40 atm. At room temperature and 40 atm, modest amounts of hydrogen are adsorbed (< 0,4 wt %). A Dubinin-Astakhov (DA) approach is used to investigate the measured adsorption isotherms and retrieve energetic and structural parameters. The adsorption enthalpy averaged over filling is found to be about 2,9 kJ/mol for the MOF-5 and about 3,6 - 4,2 kJ/mol for SWNTs. The uptake of hydrogen on SWNTs and MOF-5 appears to be due to physisorption and can be described, through the DA-model, by a traditional theory of micropore filling. (author)

Advancement of Systems Designs and Key Engineering Technologies for Materials Based Hydrogen Storage

Energy Technology Data Exchange (ETDEWEB)

van Hassel, Bart A. [United Technologies Research Center, East Hartford, CT (United States)

2015-09-18

UTRC lead the development of the Simulink Framework model that enables a comparison of different hydrogen storage systems on a common basis. The Simulink Framework model was disseminated on the www.HSECoE.org website that is hosted by NREL. UTRC contributed to a better understanding of the safety aspects of the proposed hydrogen storage systems. UTRC also participated in the Failure Mode and Effect Analysis of both the chemical- and the adsorbent-based hydrogen storage system during Phase 2 of the Hydrogen Storage Engineering Center of Excellence. UTRC designed a hydrogen storage system with a reversible metal hydride material in a compacted form for light-duty vehicles with a 5.6 kg H2 storage capacity, giving it a 300 miles range. It contains a heat exchanger that enables efficient cooling of the metal hydride material during hydrogen absorption in order to meet the 3.3 minute refueling time target. It has been shown through computation that the kinetics of hydrogen absorption of Ti-catalyzed NaAlH4 was ultimately limiting the rate of hydrogen absorption to 85% of the material capacity in 3.3 minutes. An inverse analysis was performed in order to determine the material property requirements in order for a metal hydride based hydrogen storage system to meet the DOE targets. Work on metal hydride storage systems was halted after the Phase 1 to Phase 2 review due to the lack of metal hydride materials with the required material properties. UTRC contributed to the design of a chemical hydrogen storage system by developing an adsorbent for removing the impurity ammonia from the hydrogen gas, by developing a system to meter the transport of Ammonia Borane (AB) powder to a thermolysis reactor, and by developing a gas-liquid-separator (GLS) for the separation of hydrogen gas from AB slurry in silicone oil. Stripping impurities from hydrogen gas is essential for a long life of the fuel cell system on board of a vehicle. Work on solid transport of AB was halted after the

Hydrogen as automotive fuel

International Nuclear Information System (INIS)

Dini, D.; Ciancia, A.; Pede, G.; Sglavo, V.; ENEA, Rome

1992-01-01

An assessment of the technical/economic feasibility of the use of hydrogen as an automotive fuel is made based on analyses of the following: the chemical- physical properties of hydrogen in relation to its use in internal combustion engines; the modifications necessary to adapt internal combustion engines to hydrogen use; hydrogen fuel injection systems - with water vapour injection, cryogenic injection, and the low or high pressure injection of hydrogen directly into the combustion chamber; the current commercialization status of hydrogen automotive fuels; energy efficiency ratings; environmental impacts; in-vehicle storage systems - involving the use of hydrides, high pressure systems and liquid hydrogen storage systems; performance in terms of pay-load ratio; autonomous operation; and operating costs. The paper concludes that, considering current costs for hydrogen fuel production, distribution and use, at present, the employment of hydrogen fuelled vehicles is feasible only in highly polluted urban environments where the innovative vehicle's air pollution abatement characteristics would justify its high operating costs as compared with those of conventional automotive alternatives

Hydrogen storage in graphitic nanofibres

OpenAIRE

McCaldin, Simon Roger

2007-01-01

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

Interaction of hydrogen with palladium clusters deposited on graphene

Energy Technology Data Exchange (ETDEWEB)

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

2015-12-31

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

Interaction of hydrogen with palladium clusters deposited on graphene

Science.gov (United States)

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

2015-12-01

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

New type of amidoxime-group-containing adsorbent for the recovery of uranium from seawater. III. Recycle use of adsorbent

International Nuclear Information System (INIS)

Omichi, H.; Katakai, A.; Sugo, T.; Okamoto, J.

1986-01-01

An amidoxime-group adsorbent for recovering uranium from seawater was made by radiation-induced graft polymerization of acrylonitrile onto polymeric fiber, followed by amidoximation. Uranium adsorption of the adsorbent contacted with seawater in a column increased with the increase in flow rate, then leveled off. The relationship between uranium adsorption in a batch process and the ratio of the amount of seawater to that of adsorbent was found to be effective in evaluating adsorbent contacted with any amount of seawater. The conditioning of the adsorbent with an alkaline solution at higher temperature (∼80 0 C) after the acid desorption recovered the adsorption ability to the original level. This made it possible to apply the adsorbent to recycle use. On the other hand, the adsorbent conditioned at room temperature or that without conditioning lost adsorption ability during recycle use. The increase in water uptake was observed as one of the physical changes produced during recycle use of the alkaline-conditioned adsorbent, while the decrease in water uptake was observed with the unconditioned adsorbent. The IR spectra of the adsorbent showed a probability of reactions of amidoxime groups with acid and alkaline solutions, which can explain the change in uranium adsorption during the adsorption-desorption cycle

To the problem of structural materials serviceability in nitrogen-hydrogen-containing environments

International Nuclear Information System (INIS)

Bichuya, A.L.

1982-01-01

The analysis of the factors which affect high-temperature serviceability of structural materials in nitrogen-hydrogen-containing environments, in particular in ammonia, has been carried out on the basis of the published and own experimental data. It is shown that the observed reduction of serviceability of structural materials, under the effect of high temperatures and nitrogen-hydrogen-containing environments, can occur as a result of corrosion failure connected with nitriding, and also hydrogen embrittlement appearing as a result of the penetration of hydrogen formed during adsorbed gaseous phase dissociation on the metal being deformed. The suggested scheme of high-temperature metal fracture under the effect of nitrogen-hydrogen-containing environments, that in contrast to the previous ones includes the factor of hydrogen ebrittlement, allows to give a real estimation of structional materials serviceability under product service conditions

Producing hydrogen from coke-oven gas: the Solmer project. [PSA process

Energy Technology Data Exchange (ETDEWEB)

Bernard, G; Vidal, J

1984-05-01

After presenting the energy situation at the Solmer plant, where coke-oven gas is produced to excess, the authors examine the technical and economic possibilities of utilizing this gas for hydrogen extraction. They describe a project (based on the PSA process) for producing some 65 t/d of hydrogen and present the technical features of the scheme. An evaluation of the energy and financial costs of producing the hydrogen confirms the competitive status of the process.

Electronic spectral properties of surfaces and adsorbates and atom-adsorbate van der Waals interactions

International Nuclear Information System (INIS)

Lovric, D.; Gumhalter, B.

1988-01-01

The relevance of van der Waals interactions in the scattering of neutral atoms from adsorbates has been recently confirmed by highly sensitive molecular-beam techniques. The theoretical descriptions of the collision dynamics which followed the experimental studies have necessitated very careful qualitative and quantitative examinations and evaluations of the properties of atom-adsorbate van der Waals interactions for specific systems. In this work we present a microscopic calculation of the strengths and reference-plane positions for van der Waals potentials relevant for scattering of He atoms from CO adsorbed on various metallic substrates. In order to take into account the specificities of the polarization properties of real metals (noble and transition metals) and of chemisorbed CO, we first calculate the spectra of the electronic excitations characteristic of the respective electronic subsystems by using various data sources available and combine them with the existing theoretical models. The reliability of the calculated spectra is then verified in each particular case by universal sum rules which may be established for the electronic excitations of surfaces and adsorbates. The substrate and adsorbate polarization properties which derive from these calculations serve as input data for the evaluation of the strengths and reference-plane positions of van der Waals potentials whose computed values are tabulated for a number of real chemisorption systems. The implications of the obtained results are discussed in regard to the atom-adsorbate scattering cross sections pertinent to molecular-beam scattering experiments

Hydrogen spillover on DV (555-777) graphene – vanadium cluster system: First principles study

Energy Technology Data Exchange (ETDEWEB)

Kumar, E. Mathan, E-mail: ranjit.t@res.srmuniv.ac.in, E-mail: mathanranjitha@gmail.com; Thapa, Ranjit, E-mail: ranjit.t@res.srmuniv.ac.in, E-mail: mathanranjitha@gmail.com [SRM Research Institute, SRM University, Kattankulathur, Tamil Nadu - 603203 (India); P, Sabarikirishwaran [Department of Physics and Nanotechnology, SRM University, Kattankulathur, Tamil Nadu - 603203 (India)

2015-06-24

Using dispersion corrected density functional theory (DFT+D), the interaction of Vanadium adatom and cluster with divacancy (555-777) defective graphene sheet has been studied elaborately. We explore the prospect of hydrogen storage on V{sub 4} cluster adsorbed divacancy graphene system. It has been observed that V{sub 4} cluster (acting as a catalyst) can dissociate the H{sub 2} molecule into H atoms with very low barrier energy. We introduce the spillover of the atomic hydrogen throughout the surface via external mediator gallane (GaH{sub 3}) to form a hydrogenated system.

Interaction of hydrogen and oxygen with bulk defects and surfaces of metals

International Nuclear Information System (INIS)

Besenbacher, F.

1994-05-01

The thesis deals with the interaction of hydrogen with defects in metals and the interaction of hydrogen and oxygen with metal surfaces studied by ion-beam techniques and scanning tunneling microscopy (STM), respectively. The first part of the thesis discusses the interaction of hydrogen with simple defects in transition metals. The trap-binding enthalpies and the lattice location of hydrogen trapped to vacancies have been determined, and an extremely simple and versatile picture of the hydrogen-metal interaction has evolved, in which the trap strength is mainly determined by the local electron density. Any dilution of the lattice will lead to a trap, vacancies and voids being the strongest trap. It is found that hydrogen trapped to vacancies in fcc metals is quantum-mechanically delocalized, and the excitation energies for the hydrogen in the vacancy potential are a few MeV only. The interaction of hydrogen with metal surfaces is studied by the transmission channeling (TC) technique. It is found that hydrogen chemisorbs in the highest-coordinated sites on the surfaces, and that there is a direct relationship between the hydrogen-metal bond length and the coordination number for the hydrogen. In the final part of the thesis the dynamics of the chemisorption process for oxygen and hydrogen on metal surfaces is studied by STM, a fascinating and powerful technique for exploring the atomic-scale realm of surfaces. It is found that there is a strong coupling between the chemisorption process and the distortion of the metal surface. The adsorbates induce a surface reconstruction, i.e. metal-metal bond breaks and metal-adsorbate bounds form. Whereas hydrogen interacts weakly with the metals and induces reconstructions where only nnn metals bonds are broken, oxygen interacts strongly with the metal, and the driving force for the O-induced reconstructions appears to be the formation of low-coordinated metal-O rows, formed by breaking of nn metal bonds. Finally it is shown

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

Chemical hydrogen storage material property guidelines for automotive applications

Science.gov (United States)

Semelsberger, Troy A.; Brooks, Kriston P.

2015-04-01

Chemical hydrogen storage is the sought after hydrogen storage media for automotive applications because of the expected low pressure operation (0.05 kg H2/kgsystem), and system volumetric capacities (>0.05 kg H2/Lsystem). Currently, the primary shortcomings of chemical hydrogen storage are regeneration efficiency, fuel cost and fuel phase (i.e., solid or slurry phase). Understanding the required material properties to meet the DOE Technical Targets for Onboard Hydrogen Storage Systems is a critical knowledge gap in the hydrogen storage research community. This study presents a set of fluid-phase chemical hydrogen storage material property guidelines for automotive applications meeting the 2017 DOE technical targets. Viable material properties were determined using a boiler-plate automotive system design. The fluid-phase chemical hydrogen storage media considered in this study were neat liquids, solutions, and non-settling homogeneous slurries. Material properties examined include kinetics, heats of reaction, fuel-cell impurities, gravimetric and volumetric hydrogen storage capacities, and regeneration efficiency. The material properties, although not exhaustive, are an essential first step in identifying viable chemical hydrogen storage material properties-and most important, their implications on system mass, system volume and system performance.

Inelastic neutron scattering of H{sub 2} adsorbed in HKUST-1

Energy Technology Data Exchange (ETDEWEB)

Liu, Y. [Department of Materials and Engineering, University of Maryland, College Park, MD 20742 (United States); NIST Center for Neutron Research, 100 Bureau Drive, Gaithersburg, MD 20899-8562 (United States); Brown, C.M. [NIST Center for Neutron Research, 100 Bureau Drive, Gaithersburg, MD 20899-8562 (United States); Indiana University Cyclotron Facility, Indiana University, 2401 Milo B. Sampson Lane, Bloomington, IN 47408 (United States)], E-mail: craig.brown@nist.gov; Neumann, D.A. [NIST Center for Neutron Research, 100 Bureau Drive, Gaithersburg, MD 20899-8562 (United States); Peterson, V.K.; Kepert, C.J. [School of Chemistry, University of Sydney, NSW 2006 (Australia)

2007-10-31

A series of inelastic neutron scattering (INS) investigations of hydrogen adsorbed in activated HKUST-1 (Cu{sub 3}(1,3,5-benzenetricarboxylate){sub 2}) result in INS spectra with rich features, even at very low loading (<1.0 H{sub 2}:Cu). The distinct inelastic features in the spectra show that there are three binding sites that are progressively populated when the H{sub 2} loading is less than 2.0 H{sub 2}:Cu, which is consistent with the result obtained from previous neutron powder diffraction experiments. The temperature dependence of the INS spectra reveals the relative binding enthalpies for H{sub 2} at each site.

Krypton retention on solid adsorbents

International Nuclear Information System (INIS)

Monson, P.R. Jr.

1980-01-01

Radioactive krypton-85 is released to the atmosphere in the off-gas from nuclear reprocessing plants. Three main methods have been suggested for removal of krypton from off-gas streams: cryogenic distillation; fluorocarbon absorption; and adsorption on solid sorbents. Use of solid adsorbents is the least developed of these methods, but offers the potential advantages of enhanced safety and lower operating costs. An experimental laboratory program was developed that will be used to investigate systematically many solid adsorbents (such as zeolites, i.e., mordenites) for trapping krypton in air. The objective of this investigation is to find an adsorbent that is more economical than silver-exchanged mordenite. Various physical and chemical characteristics such as adsorption isotherms, decontamination factors, co-adsorption, regeneration, and the mechanism and kinetics of noble gas adsorption were used to characterize the adsorbents. In the experimental program, a gas chromatograph using a helium ionization detector was used to measure the krypton in air before and after the adsorbent bed. This method can determine directly decontamination factors greater than 100

Examining hydrogen transitions.

Energy Technology Data Exchange (ETDEWEB)

Plotkin, S. E.; Energy Systems

2007-03-01

This report describes the results of an effort to identify key analytic issues associated with modeling a transition to hydrogen as a fuel for light duty vehicles, and using insights gained from this effort to suggest ways to improve ongoing modeling efforts. The study reported on here examined multiple hydrogen scenarios reported in the literature, identified modeling issues associated with those scenario analyses, and examined three DOE-sponsored hydrogen transition models in the context of those modeling issues. The three hydrogen transition models are HyTrans (contractor: Oak Ridge National Laboratory), MARKAL/DOE* (Brookhaven National Laboratory), and NEMS-H2 (OnLocation, Inc). The goals of these models are (1) to help DOE improve its R&D effort by identifying key technology and other roadblocks to a transition and testing its technical program goals to determine whether they are likely to lead to the market success of hydrogen technologies, (2) to evaluate alternative policies to promote a transition, and (3) to estimate the costs and benefits of alternative pathways to hydrogen development.

Cell for studying electron-adsorbed gas interactions; Cellule d'etudes des interactions electron-gaz adsorbe

Energy Technology Data Exchange (ETDEWEB)

Golowacz, H; Degras, D A [Commissariat a l' Energie Atomique, 91 - Saclay (France). Centre d' Etudes Nucleaires, Deptartement de Physique des Plasmas et de la Fusion Controlee, Service de Physique Appliquee, Service de Physique des Interractions Electroniques, Section d' Etude des Interactions Gaz-Solides

1967-07-01

The geometry and the technology of a cell used for investigations on electron-adsorbed gas interactions are described. The resonance frequencies of the surface ions which are created by the electron impact on the adsorbed gas are predicted by simplified calculations. The experimental data relative to carbon monoxide and neon are in good agreement with these predictions. (authors) [French] Les caracteristiques geometriques et technologiques generales d'une cellule d'etude des interactions entre un faisceau d'electrons et un gaz adsorbe sont donnees. Un calcul simplifie permet de prevoir les frequences de resonance des ions de surface crees par l'impact des electrons sur le gaz adsorbe. Les donnees experimentales sur l'oxyde de carbone et le neon confirment les previsions du calcul. (auteurs)

Storage issues: where are we in 2006?

International Nuclear Information System (INIS)

Chahine, R.

2006-01-01

Hydrogen storage onboard vehicles continue to be a key technical challenge for the widespread use of hydrogen and fuel cell power technologies in transportation. There are national and international collaborative efforts to narrow the gap between the present state of storage technologies and what is required for a competitive hydrogen economy. On-board hydrogen storage approaches under investigation mainly include advanced metal hydrides, nanoporus adsorbants, and chemical hydrogen storage. The presentation will briefly discuss the state of art of these technologies, highlight recent advances and outline future directions. (author)

IEA Hydrogen Implementing Agreement: Three Decades of Collaborative Hydrogen R and D

Energy Technology Data Exchange (ETDEWEB)

Nick Beck; Mary-Rose de Valladares

2006-07-01

Created in 1977 and now in its Second Generation of Hydrogen R, D and D, the International Energy Agency (IEA) Hydrogen Implementing Agreement (HIA) is the oldest, largest international collaboration on hydrogen Research, Development and Demonstration (RD and D). As a global resource for technical expertise in hydrogen R, D and D, the HIA has expanded worldwide opportunities for hydrogen by undertaking 21 annexes (or tasks) on hydrogen production, storage, analysis of integrated systems and related topics with its 19 member countries. Related topics include hydrogen safety, conversion, economics and markets. The majority of the HIA's R and D portfolio has focused on longer term, pre-competitive R, D and D issues. Of the 21 annexes undertaken by the HIA, 15 are now complete. The HIA is also committed to outreach in support of both its core R and D activities and related issues such as regulation and infrastructure. As ever, the HIA welcomes collaboration and liaison with interested groups in the public and private sectors. (authors)

Bioavailability of Carbon Nanomaterial-Adsorbed Polycyclic Aromatic Hydrocarbons to Pimphales promelas: Influence of Adsorbate Molecular Size and Configuration.

Science.gov (United States)

Linard, Erica N; Apul, Onur G; Karanfil, Tanju; van den Hurk, Peter; Klaine, Stephen J

2017-08-15

Despite carbon nanomaterials' (CNMs) potential to alter the bioavailability of adsorbed contaminants, information characterizing the relationship between adsorption behavior and bioavailability of CNM-adsorbed contaminants is still limited. To investigate the influence of CNM morphology and organic contaminant (OC) physicochemical properties on this relationship, adsorption isotherms were generated for a suite of polycyclic aromatic hydrocarbons (PAHs) on multiwalled carbon nanotubes (MWCNTs) and exfoliated graphene (GN) in conjunction with determining the bioavailability of the adsorbed PAHs to Pimphales promelas using bile analysis via fluorescence spectroscopy. Although it appeared that GN adsorbed PAHs indiscriminately compared to MWCNTs, the subsequent bioavailability of GN-adsorbed PAHs was more sensitive to PAH morphology than MWCNTs. GN was effective at reducing bioavailability of linear PAHs by ∼70%, but had little impact on angular PAHs. MWCNTs were sensitive to molecular size, where bioavailability of two-ringed naphthalene was reduced by ∼80%, while bioavailability of the larger PAHs was reduced by less than 50%. Furthermore, the reduction in bioavailability of CNM-adsorbed PAHs was negatively correlated with the amount of CNM surface area covered by the adsorbed-PAHs. This study shows that the variability in bioavailability of CNM-adsorbed PAHs is largely driven by PAH size, configuration and surface area coverage.

Enhanced hydrogen storage by using lithium decoration on phosphorene

Energy Technology Data Exchange (ETDEWEB)

Yu, Zhiyuan; Wan, Neng, E-mail: wn@seu.edu.cn, E-mail: lsy@seu.edu.cn; Lei, Shuangying, E-mail: wn@seu.edu.cn, E-mail: lsy@seu.edu.cn; Yu, Hong [Key Laboratory of Microelectromechanical Systems of the Ministry of Education, Southeast University, Nanjing 210096 (China)

2016-07-14

The hydrogen storage characteristics of Li decorated phosphorene were systematically investigated based on first-principle density functional theory. It is revealed that the adsorption of H{sub 2} on pristine phosphorene is relatively weak with an adsorption energy of 0.06 eV. While this value can be dramatically enhanced to ∼0.2 eV after the phosphorene was decorated by Li, and each Li atom can adsorb up to three H{sub 2} molecules. The detailed mechanism of the enhanced hydrogen storage was discussed based on our density functional theory calculations. Our studies give a conservative prediction of hydrogen storage capacity to be 4.4 wt. % through Li decoration on pristine phosphorene. By comparing our calculations to the present molecular dynamic simulation results, we expect our adsorption system is stable under room temperature and hydrogen can be released after moderate heating.

A techno-economic analysis of decentralized electrolytic hydrogen production for fuel cell vehicles

Energy Technology Data Exchange (ETDEWEB)

Prince-Richard, S.; Whale, M.; Djilali, N. [Victoria Univ., Inst. for Integrated Energy Systems, Victoria, BC (Canada)

2005-09-01

Hydrogen from decentralized water electrolysis is one of the main fuelling options considered for future fuel cell vehicles. In this study, a model is developed to determine the key technical and economic parameters influencing the competitive position of decentralized electrolytic hydrogen. This model incorporates the capital, maintenance and energy costs of water electrolysis, as well as a monetary valuation of the associated greenhouse gas (GHG) emissions. It is used to analyze the competitive position of electrolytic hydrogen in three specific locations with distinct electricity mix: Vancouver, Los Angeles and Paris. Using local electricity prices and fuel taxes, electrolytic hydrogen is found to be commercially viable in Vancouver and Paris. Hydrogen storage comes out as the most important technical issue. But more than any technical issue, electricity prices and fuel taxes emerge as the two dominant issues affecting the competitive position of electrolytic hydrogen. The monetary valuation of GHG emissions, based on a price of $20/ton of CO{sub 2}, is found to be generally insufficient to tilt the balance in favor of electrolytic hydrogen. (Author)

Low concentration CO2 capture using physical adsorbents: Are Metal-Organic Frameworks becoming the new benchmark materials?

KAUST Repository

Belmabkhout, Youssef; Guillerm, Vincent; Eddaoudi, Mohamed

2016-01-01

The capture and separation of traces and concentrated CO2 from important commodities such as CH4, H2, O2 and N2, is becoming important in many areas related to energy security and environmental sustainability. While trace CO2 concentration removal applications have been modestly studied for decades, the spike in interest in the capture of concentrated CO2 was motivated by the need for new energy vectors to replace highly concentrated carbon fuels and the necessity to reduce emissions from fossil fuel-fired power plants. CO2 capture from various gas streams, at different concentrations, using physical adsorbents, such as activated carbon, zeolites, and metal-organic frameworks (MOFs), is attractive. However, the adsorbents must be designed with consideration of many parameters including CO2 affinity, kinetics, energetics, stability, capture mechanism, in addition to cost. Here, we perform a systematic analysis regarding the key technical parameters that are required for the best CO2 capture performance using physical adsorbents. We also experimentally demonstrate a suitable material model of Metal Organic Framework as advanced adsorbents with unprecedented properties for CO2 capture in a wide range of CO2 concentration. These recently developed class of MOF adsorbents represent a breakthrough finding in the removal of traces CO2 using physical adsorption. This platform shows colossal tuning potential for more efficient separation agents.

Low concentration CO2 capture using physical adsorbents: Are Metal-Organic Frameworks becoming the new benchmark materials?

KAUST Repository

Belmabkhout, Youssef

2016-03-30

The capture and separation of traces and concentrated CO2 from important commodities such as CH4, H2, O2 and N2, is becoming important in many areas related to energy security and environmental sustainability. While trace CO2 concentration removal applications have been modestly studied for decades, the spike in interest in the capture of concentrated CO2 was motivated by the need for new energy vectors to replace highly concentrated carbon fuels and the necessity to reduce emissions from fossil fuel-fired power plants. CO2 capture from various gas streams, at different concentrations, using physical adsorbents, such as activated carbon, zeolites, and metal-organic frameworks (MOFs), is attractive. However, the adsorbents must be designed with consideration of many parameters including CO2 affinity, kinetics, energetics, stability, capture mechanism, in addition to cost. Here, we perform a systematic analysis regarding the key technical parameters that are required for the best CO2 capture performance using physical adsorbents. We also experimentally demonstrate a suitable material model of Metal Organic Framework as advanced adsorbents with unprecedented properties for CO2 capture in a wide range of CO2 concentration. These recently developed class of MOF adsorbents represent a breakthrough finding in the removal of traces CO2 using physical adsorption. This platform shows colossal tuning potential for more efficient separation agents.

The adsorber loop concept for the contact between seawater and adsorber granulate

International Nuclear Information System (INIS)

Koske, P.H.; Ohlrogge, K.

1984-01-01

The present paper deals with the so-called ''adsorber loop concept'' in which the adsorber granulate is carried along with the seawater to be processed in a loop-like configuration and is separated again from the depleted water before this is leaving the adsorption unit. This concept enables high seawater velocities thus reducing the required bed area. Theoretical considerations are presented together with experimental results from field tests. (orig.) [de

On the solubility of hydrogen in the systems titanium-aluminium-hydrogen, titanium-vanadium-hydrogen and titanium-aluminium-vanadium-hydrogen in the temperature region of 800 to 1,0000C at hydrogen pressures of 0.1 to 400 mm.Hg

International Nuclear Information System (INIS)

Kauder, G.W.

1973-01-01

The hydrogen concentrations on Ti-Al, Ti-V and Ti-Al-V alloys were determined in the temperature region from 800 to 1,000 0 C and at hydrogen pressures of 0.1 to 400 mm.Hg using a gravimetric measuring process. The thus obtained results allowed the drawing of hydrogen activity slopes in the titanium rich corner of the systems titanium-hydrogen, titanium-aluminium-hydrogen, titanium-vanadium-hydrogen and such for the technical titanium alloys Ti-6Al-4V and Ti-6Al-6V. In spite of the antagonistic effects of the elements aluminium and vanadium on the stabilization of the α and β phase regions of titanium, a hydrogen-activity-increasing effect was always found in which the aluminium influence was greater than that of vanadium. Breaks occured in the hydrogen activity curves and phase boundaries, and phase regions were determined over their positions. Isothermal phase diagrams for the titanium-rich corner of the system titanium-aluminium-hydrogen at 800, 850 and 900 0 C and for the titanium-rich corner of the titanium-vanadium-hydrogen system at 900, 950 and 1,000 0 C were drawn up from the hydrogen activity curves. (orig./LH) [de

Bio-inspired co-catalysts bonded to a silicon photocathode for solar hydrogen evolution

DEFF Research Database (Denmark)

Hou, Yidong; Abrams, Billie; Vesborg, Peter Christian Kjærgaard

2011-01-01

The production of fuels directly or indirectly from sunlight represents one of the major challenges to the development of a sustainable energy system. Hydrogen is the simplest fuel to produce and while platinum and other noble metals are efficient catalysts for photoelectrochemical hydrogen...... at the reversible potential match the requirement of a photoelectrochemical hydrogen production system with a solar-to-hydrogen efficiency in excess of 10%. The experimental observations are supported by DFT calculations of the Mo3S4 cluster adsorbed on the hydrogen-terminated silicon surface providing insights...... deposited on various supports. It will be demonstrated how this overpotential can be eliminated by depositing the same type of hydrogen evolution catalyst on p-type Si which can harvest the red part of the solar spectrum. Such a system could constitute the cathode part of a tandem dream device where the red...

Process for producing zeolite adsorbent and process for treating radioactive liquid waste with the zeolite adsorbent

International Nuclear Information System (INIS)

Motojima, K.; Kawamura, F.

1984-01-01

Zeolite is contacted with an aqueous solution containing at least one of copper, nickel, cobalt, manganese and zinc salts, preferably copper and nickel salts, particularly preferably copper salt, in such a form as sulfate, nitrate, or chloride, thereby adsorbing the metal on the zeolite in its pores by ion exchange, then the zeolite is treated with a water-soluble ferrocyanide compound, for example, potassium ferrocyanide, thereby forming metal ferrocyanide on the zeolite in its pores. Then, the zeolite is subjected to ageing treatment, thereby producing a zeolite adsorbent impregnated with metal ferrocyanide in the pores of zeolite. The adsorbent can selectively recover cesium with a high percent cesium removal from a radioactive liquid waste containing at least radioactive cesium, for example, a radioactive liquid waste containing cesium and such coexisting ions as sodium, magnesium, calcium and carbonate ions at the same time at a high concentration. The zeolite adsorbent has a stable adsorbability for a prolonged time

A study of the thermostimulated evolution of labelled hydrogen sulfide from the leached basalt fibers

International Nuclear Information System (INIS)

Zheleznov, A.V.; Zyuzin, A.Yu.; Bekman, I.N.

1991-01-01

Thermostimulated separation of labelled hydrogen sulfide from basalt fibers leached by hydrochloric acid is investigated by the method of radioactive tracers. It is shown that the type of H 2 35 S thermosorption spectrum depends on the presence of water traces in a fibrous adsrobent. Formal order and activation energy of thermodesorption of labelled hydrogen sulfide as well as inhomogeneity of porous structure of adsorbents based on basalt fibers are established

Proceedings of the 1994 DOE/NREL Hydrogen Program Review, April 18--21, 1994, Livermore, California

Energy Technology Data Exchange (ETDEWEB)

1994-07-01

The US Department of Energy has conducted programs of research and development in hydrogen and related technologies since 1975. The current program, conducted in accordance with the DOE Hydrogen Program Plan FY 1993--FY 1997 published in June 1992, establishes program priorities and guidance for allocating funding. The core program, currently under the Office of Energy Management, supports projects in the areas of hydrogen production, storage, and systems research. At an annual program review, each research project is evaluated by a panel of technical experts for technical quality, progress, and programmatic benefit. This Proceedings of the April 1994 Hydrogen Program Review compiles all research projects supported by the Hydrogen Program during FY 1994. For those people interested in the status of hydrogen technologies, we hope that the Proceedings will serve as a useful technical reference. Individual reports are processed separately.

Solar powered hydrogen generating facility and hydrogen powered vehicle fleet. Final technical report, August 11, 1994--January 6, 1997

Energy Technology Data Exchange (ETDEWEB)

Provenzano, J.J.

1997-04-01

This final report describes activities carried out in support of a demonstration of a hydrogen powered vehicle fleet and construction of a solar powered hydrogen generation system. The hydrogen generation system was permitted for construction, constructed, and permitted for operation. It is not connected to the utility grid, either for electrolytic generation of hydrogen or for compression of the gas. Operation results from ideal and cloudy days are presented. The report also describes the achievement of licensing permits for their hydrogen powered trucks in California, safety assessments of the trucks, performance data, and information on emissions measurements which demonstrate performance better than the Ultra-Low Emission Vehicle levels.

Chemically modified glasses for analysis of hydrogen isotopes by gas-chromatography

International Nuclear Information System (INIS)

Stanciu, Vasile; Stefanescu, Doina

1999-01-01

Hydrogen isotope separation process by such methods as cryogenic distillation or thermal diffusion method is one of the key technologies of the tritium separation from heavy water of CANDU reactors and in the tritium fuel cycle for a thermonuclear fusion reactor. In each process, the analytical techniques for measuring contents of hydrogen isotope mixture are necessary. An extensive experimental research has been carried out in order to produce the most suitable absorbent and define the best operating conditions for selective separation and analysis of hydrogen isotope by gas-chromatography. This paper describes the preparation of adsorbent materials utilised as stationary phase in the gas-chromatographic column for hydrogen isotope separation and treatment (activation) of stationary phase. Modified thermo-resisting glass with Fe(NH 4 ) 2 (SO 4 ) 2 6H 2 O and Cr 2 O 3 , respectively, have been experimentally investigated at 77 K for H 2 , HD and D 2 separation and the results of chromatographic runs are also reported and discussed. The gas-chromatographic apparatus used is composed of a Hewlett-Packard 7620A gas-chromatograph equipped with a gas carrier flow rate controller and a thermal conductivity detector (TCD). The apparatus comprises also a Dewar vessel containing the separation column. The hydrogen isotopes H 2 , HD, D 2 and their mixture have been obtained in our laboratories. The best operating conditions of the adsorbent column Fe (III)/glass and Cr 2 O 3 /glass, i.e. granulometry, column length, pressure-drop along the column, carrier gas flow rate, sample volume have been studied by means of the analysis of the retention times, separation factors and HETP. (authors)

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.

Sorption of CO ₂ in a hydrogen-bonded diamondoid network of sulfonylcalix[4]arene

Energy Technology Data Exchange (ETDEWEB)

Sinnwell, Michael A. [Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland, WA, USA; Atwood, Jerry L. [Department of Chemistry, University of Missouri-Columbia, Columbia, MO, USA; Thallapally, Praveen K. [Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland, WA, USA

2018-02-08

An organic material, p-tert-butyltetrasulfonylcalix[4]arene, self-assembles via hydrogen bonding to form a diamondoid supramolecular network. Possessing discrete, zero-dimensional (0D) microcavities, the thiacalixarene derivative adsorbs CO2 at high pressures

Volatile organic compounds adsorption using different types of adsorbent

Directory of Open Access Journals (Sweden)

Pimanmes Chanayotha

2014-09-01

Full Text Available Adsorbents were synthesized from coconut shell, coal and coke by pyrolysis followed by chemical activation process. These synthesized materials were used as adsorbents in adsorption test to determine the amount of volatile organic compounds (VOCs namely, 2-Hydroxyethyl methacrylate (HEMA, Octamethylcyclotetrasiloxane and Alkanes standard solution (C8-C20. The adsorption capacities of both synthesized adsorbents and commercial grade adsorbents (Carbotrap™ B and Carbotrap™ C were also compared. It was found that adsorbent A402, which was produced from coconut shell, activated with 40% (wt. potassium hydroxide and at activating temperature of 800°C for 1 hr, could adsorb higher amount of both HEMA and Octamethylcyclotetrasiloxane than other synthesized adsorbents. The maximum adsorption capacity of adsorbent A402 in adsorbing HEMA and Octamethylcyclotetrasiloxane were 77.87% and 50.82% respectively. These adsorption capabilities were 79.73% and 70.07% of the adsorption capacity of the commercial adsorbent Carbotrap™ B respectively. All three types of the synthesized adsorbent (A402, C302, C402 showed the capability to adsorb alkanes standard solution through the range of C8-C20 . However, their adsorption capacities were high in a specific range of C10-C11. The result from the isotherm plot was indicated that surface adsorption of synthesized adsorbent was isotherm type I while the surface adsorption of commercial adsorbent was isotherm type III.

Theoretical Insight of Physical Adsorption for a Single-Component Adsorbent + Adsorbate System: I. Thermodynamic Property Surfaces

KAUST Repository

Chakraborty, Anutosh; Saha, Bidyut Baran; Ng, Kim Choon; Koyama, Shigeru; Srinivasan, Kandadai

2009-01-01

Thermodynamic property surfaces for a single-component adsorbent + adsorbate system are derived and developed from the viewpoint of classical thermodynamics, thermodynamic requirements of chemical equilibrium, Gibbs law, and Maxwell relations

Extraction of uranium from sea water with the granular composite adsorbent by using the fixed bed

International Nuclear Information System (INIS)

Katoh, Shunsaku; Sakane, Kohji; Hirotsu, Takahiro; Fujii, Ayako; Kitamura, Takao

1981-01-01

To clarify the technical problems existing in the extraction process of uranium from sea water, uranium was extracted from natural sea water, with the granulated C-Ti-OH composite adsorbent. The adsorption of uranium from sea water was carried out by using the fixed bed that had been designed in our laboratory. The uranium recovery from the sea water was 13.9% in the adsorption process of 56 d. The adsorbed uranium was eluted from the adsorbent with 0.5 N NaHCO 3 -0.5N Na 2 CO 3 soln. at 70 0 C. The elution recovery was 97.4% for 35 h. The uranium contained in the eluate was concentrated twenty times as much as in the anion exchange process, and then 100 times in the solvent extraction process with oxine-chloroform and TOA-kerosene. About 0.7 g of yellow cake was prepared from natural sea water, and it was identified to be pure 2UO 2 .NH 3 .3H 2 O by X-ray diffraction method and X-ray fluorometry. (author)

Effect of controlled deactivation on the thermochemical characteristics of hydrogen adsorption on skeletal nickel from sodium hydroxide-water solutions

Science.gov (United States)

Prozorov, D. A.; Lukin, M. V.; Ulitin, M. V.

2013-04-01

Differential heats of adsorption in a wide range of surface coverage and maximum amounts of adsorbed hydrogen are determined by adsorption calorimetry on partially deactivated skeletal nickel from aqueous solutions of sodium hydroxide. The effect of the composition of solutions on the values of limiting adsorption and adsorption equilibria of individual forms of hydrogen is shown.

Technology status of hydrogen road vehicles. IEA technical report from the IEA Agreement of the production and utilization of hydrogen

Energy Technology Data Exchange (ETDEWEB)

Doyle, T.A.

1998-01-31

The report was commissioned under the Hydrogen Implementing Agreement of the International Energy Agency (IEA) and examines the state of the art in the evolving field of hydrogen-fueled vehicles for road transport. The first phase surveys and analyzes developments since 1989, when a comprehensive review was last published. The report emphasizes the following: problems, especially backfiring, with internal combustion engines (ICEs); operational safety; hydrogen handling and on-board storage; and ongoing demonstration projects. Hydrogen vehicles are receiving much attention, especially at the research and development level. However, there has been a steady move during the past 5 years toward integral demonstrations of operable vehicles intended for public roads. Because they emit few, or no greenhouse gases, hydrogen vehicles are beginning to be taken seriously as a promising solution to the problems of urban air quality. Since the time the first draft of the report was prepared (mid-19 96), the 11th World Hydrogen Energy Conference took place in Stuttgart, Germany. This biennial conference can be regarded as a valid updating of the state of the art; therefore, the 1996 results are included in the current version. Sections of the report include: hydrogen production and distribution to urban users; on-board storage and refilling; vehicle power units and drives, and four appendices titled: 'Safety questions of hydrogen storage and use in vehicles', 'Performance of hydrogen fuel in internal production engines for road vehicles, 'Fuel cells for hydrogen vehicles', and 'Summaries of papers on hydrogen vehicles'. (refs., tabs.)

Understanding Trends in Catalytic Activity: The Effect of Adsorbate-Adsorbate Interactions for CO Oxidation Over Transition Metals

DEFF Research Database (Denmark)

Grabow, Lars; Larsen, Britt Hvolbæk; Nørskov, Jens Kehlet

2010-01-01

Using high temperature CO oxidation as the example, trends in the reactivity of transition metals are discussed on the basis of density functional theory (DFT) calculations. Volcano type relations between the catalytic rate and adsorption energies of important intermediates are introduced...... and the effect of adsorbate-adsorbate interaction on the trends is discussed. We find that adsorbate-adsorbate interactions significantly increase the activity of strong binding metals (left side of the volcano) but the interactions do not change the relative activity of different metals and have a very small...... influence on the position of the top of the volcano, that is, on which metal is the best catalyst....

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

Science.gov (United States)

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

2018-01-01

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

Hydrogen release at metal-oxide interfaces: A first principle study of hydrogenated Al/SiO{sub 2} interfaces

Energy Technology Data Exchange (ETDEWEB)

Huang, Jianqiu, E-mail: jianqiu@vt.edu [Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, VA 24061 (United States); Tea, Eric; Li, Guanchen [Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, VA 24061 (United States); Hin, Celine [Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, VA 24061 (United States); Department of Material Science and Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road-MC 0238, Blacksburg, VA 24061 (United States)

2017-06-01

Highlights: • Hydrogen release process at the Al/SiO{sub 2} metal-oxide interface has been investigated. • A mathematical model that estimates the hydrogen release potential has been proposed. • Al atoms, Al−O bonds, and Si−Al bonds are the major hydrogen traps at the Al/SiO{sub 2} interface. • Hydrogen atoms are primarily release from Al−H and O−H bonds at the Al/SiO{sub 2} metal-oxide interface. - Abstract: The Anode Hydrogen Release (AHR) mechanism at interfaces is responsible for the generation of defects, that traps charge carriers and can induce dielectric breakdown in Metal-Oxide-Semiconductor Field Effect Transistors. The AHR has been extensively studied at Si/SiO{sub 2} interfaces but its characteristics at metal-silica interfaces remain unclear. In this study, we performed Density Functional Theory (DFT) calculations to study the hydrogen release mechanism at the typical Al/SiO{sub 2} metal-oxide interface. We found that interstitial hydrogen atoms can break interfacial Al−Si bonds, passivating a Si sp{sup 3} orbital. Interstitial hydrogen atoms can also break interfacial Al−O bonds, or be adsorbed at the interface on aluminum, forming stable Al−H−Al bridges. We showed that hydrogenated O−H, Si−H and Al−H bonds at the Al/SiO{sub 2} interfaces are polarized. The resulting bond dipole weakens the O−H and Si−H bonds, but strengthens the Al−H bond under the application of a positive bias at the metal gate. Our calculations indicate that Al−H bonds and O−H bonds are more important than Si−H bonds for the hydrogen release process.

Poisoning by carbon monoxide in the hydrogen exchange reaction between deuterium gas and water preadsorbed on a platinum--alumina catalyst

International Nuclear Information System (INIS)

Iida, I.; Tamaru, K.

1979-01-01

Poisoning by carbon monoxide in the exchange reaction between deuterium and the water preadsorbed on a platinum--alumina catalyst was studied, by measuring not only the rate of reaction but also its kinetic behavior and the adsorption of reactants on the catalyst surface. The shape of the poisoning curve is closely associated with the kinetic behavior and exhibited an abrupt change on freezing the adsorbed water below 273 0 K. When the rate is proportional to deuterium pressure and independent of the amount of water adsorbed, the exchange rate dropped sharply by carbon monoxide adsorbed of a few percent coverage without any marked changes in the amount and the rate of hydrogen adsorption on the platinum surface. However, at temperatures lower than 273 0 K and at higher deuterium pressures, the rate depends not on the deuterium pressure but on the amount of water adsorbed. The migration of hydrogen in or through the adsorbed water is seemingly sufficiently suppressed by freezing to control the overall reaction rate. In this case, a small amount of adsorption of carbon monoxide did not show any toxicity, but then a steep poisoning started accompanying a change in the kinetic behavior. It was accordingly demonstrated that the mechanism of the reaction may be better understood by studying poisoning and measuring adsorption, overall rate, and kinetic behavior

The hydrogen highway

International Nuclear Information System (INIS)

Grigg, A.

2004-01-01

'Full text:' The Hydrogen Highway in British Columbia, Canada, is a coordinated, large-scale demonstration and deployment program aimed at accelerating the commercialization of hydrogen and fuel cell technologies and products. It will be a showcase for fuel cell vehicles, refuelling stations and stationary power systems leading up to the 2010 Olympic and Paralympic Winter Games in Whistler, BC. The Hydrogen Highway is designed to help address many of the challenges to commercialization identified in the Canadian Fuel Cell Commercialization Roadmap. The project will create an early adopter network of hydrogen and fuel cell microenvironments where technology developers and users can learn about the technical, economic, environmental and social impacts of products. The Hydrogen Highway will give the public and potential purchasers an opportunity to feel, touch and see the new technology, as well as provide the industry with a venue in which to develop industry standards and supply chains of materials and components. While demonstration and deployment programs are a recognized and necessary component in the process to commercialize hydrogen and fuel cell technologies, there is no handbook describing how it should be done. This paper will describe the history, objectives, project details and some of the challenges associated with establishing Canada's Hydrogen Highway. (author)

The hydrogen highway

Energy Technology Data Exchange (ETDEWEB)

Grigg, A. [Fuel Cells Canada, Vancouver, British Columbia (Canada)

2004-07-01

'Full text:' The Hydrogen Highway in British Columbia, Canada, is a coordinated, large-scale demonstration and deployment program aimed at accelerating the commercialization of hydrogen and fuel cell technologies and products. It will be a showcase for fuel cell vehicles, refuelling stations and stationary power systems leading up to the 2010 Olympic and Paralympic Winter Games in Whistler, BC. The Hydrogen Highway is designed to help address many of the challenges to commercialization identified in the Canadian Fuel Cell Commercialization Roadmap. The project will create an early adopter network of hydrogen and fuel cell microenvironments where technology developers and users can learn about the technical, economic, environmental and social impacts of products. The Hydrogen Highway will give the public and potential purchasers an opportunity to feel, touch and see the new technology, as well as provide the industry with a venue in which to develop industry standards and supply chains of materials and components. While demonstration and deployment programs are a recognized and necessary component in the process to commercialize hydrogen and fuel cell technologies, there is no handbook describing how it should be done. This paper will describe the history, objectives, project details and some of the challenges associated with establishing Canada's Hydrogen Highway. (author)

Hydrogenation of ethene catalyzed by Ir atom deposited on γ-Al2O3(001) surface: From ab initio calculations

International Nuclear Information System (INIS)

Chen, Yongchang; Sun, Zhaolin; Song, Lijuan; Li, Qiang; Xu, Ming

2012-01-01

Ethene hydrogenation reaction, catalyzed by an iridium atom adsorbed on γ-Al 2 O 3 (001) surface, is studied via ab initio calculations based on density functional theory (DFT). The catalyzed reaction process and activation energy are compared with the counterparts of a reaction occurs in vacuum condition. It is found that the activation energy barrier is substantially lowered by the adsorbed Ir atom on the γ-Al 2 O 3 (001). The catalyzed reaction is modeled in two steps: (1) Hydrogen molecular dissolution and then bonded with C 2 H 4 molecular. (2) Desorption of the C 2 H 6 molecular from the surface. -- Highlights: ► The ethene hydrogenation reaction is simulated with nudged elastic band methods. ► The catalytic effect of the Ir atom on γ-Al 2 O 3 (001) surface is modeled. ► Details of the catalytic reaction are exhibited.

Generalized model development for a cryo-adsorber and 1-D results for the isobaric refueling period

Energy Technology Data Exchange (ETDEWEB)

Kumar, V. Senthil [India Science Lab, General Motors Global R and D, Creator Building, International Technology Park, Bangalore 560066 (India); Kumar, Sudarshan [Chemical Sciences and Material Systems Lab, General Motors Global R and D, Warren Technical Center Campus, 30500 Mound Road, Warren, MI 48090 (United States)

2010-04-15

We have developed 3-D model equations for a cryo-adsorption hydrogen storage tank, where the energy balance accommodates the temperature and pressure variation of all the thermodynamic properties. We then reduce the 3-D model to the 1-D isobaric system and study the isobaric refueling period, for simplified geometry and charging conditions. The hydrogen capacity evolution predicted by the 1-D axial bed model is significantly different than that predicted by the lumped-parameter model because of the presence of sharp temperature gradients during refueling. The 1-D model predicts a higher hydrogen capacity than the lumped-parameter model. This observation can be rationalized by the fact that a bed with temperature gradients on equilibration should desorb gas, whenever the adsorbed phase entropy is lower than the gas phase entropy. The 1-D analysis of the isobaric refueling period does not show any significant difference in hydrogen capacity evolution among the axial, single and multicartridge annular bed designs. Hence, a multicartridge annular design, though giving a slightly lower pressure drop, does not offer any heat and mass transfer enhancement over the single cartridge design. And, the single cartridge annular design appears to be optimal. (author)

Mercury adsorption properties of sulfur-impregnated adsorbents

Science.gov (United States)

Hsi, N.-C.; Rood, M.J.; Rostam-Abadi, M.; Chen, S.; Chang, R.

2002-01-01

Carbonaceous and noncarbonaceous adsorbents were impregnated with elemental sulfur to evaluate the chemical and physical properties of the adsorbents and their equilibrium mercury adsorption capacities. Simulated coal combustion flue gas conditions were used to determine the equilibrium adsorption capacities for Hg0 and HgCl2 gases to better understand how to remove mercury from gas streams generated by coal-fired utility power plants. Sulfur was deposited onto the adsorbents by monolayer surface deposition or volume pore filling. Sulfur impregnation increased the total sulfur content and decreased the total and micropore surface areas and pore volumes for all of the adsorbents tested. Adsorbents with sufficient amounts of active adsorption sites and sufficient microporous structure had mercury adsorption capacities up to 4,509 ??g Hg/g adsorbent. Elemental sulfur, organic sulfur, and sulfate were formed on the adsorbents during sulfur impregnation. Correlations were established with R2>0.92 between the equilibrium Hg0/HgCl2 adsorption capacities and the mass concentrations of elemental and organic sulfur. This result indicates that elemental and organic sulfur are important active adsorption sites for Hg0 and HgCl2.

Controlled Hydrogen Fleet and Infrastructure Demonstration and Validation Project

Energy Technology Data Exchange (ETDEWEB)

Stottler, Gary

2012-02-08

General Motors, LLC and energy partner Shell Hydrogen, LLC, deployed a system of hydrogen fuel cell electric vehicles integrated with a hydrogen fueling station infrastructure to operate under real world conditions as part of the U.S. Department of Energy's Controlled Hydrogen Fleet and Infrastructure Validation and Demonstration Project. This technical report documents the performance and describes the learnings from progressive generations of vehicle fuel cell system technology and multiple approaches to hydrogen generation and delivery for vehicle fueling.

Final Technical Report: Controlled Hydrogen Fleet and Infrastructure Demonstration and Validation Project

Energy Technology Data Exchange (ETDEWEB)

Ronald Grasman

2011-12-31

This report summarizes the work conducted under U.S. Department of Energy (DOE) under contract DE-FC36-04GO14285 by Mercedes-Benz & Research Development, North America (MBRDNA), Chrysler, Daimler, Mercedes Benz USA (MBUSA), BP, DTE Energy and NextEnergy to validate fuel cell technologies for infrastructure, transportation as well as assess technology and commercial readiness for the market. The Mercedes Team, together with its partners, tested the technology by operating and fueling hydrogen fuel cell vehicles under real world conditions in varying climate, terrain and driving conditions. Vehicle and infrastructure data was collected to monitor the progress toward the hydrogen vehicle and infrastructure performance targets of $2.00 to 3.00/gge hydrogen production cost and 2,000-hour fuel cell durability. Finally, to prepare the public for a hydrogen economy, outreach activities were designed to promote awareness and acceptance of hydrogen technology. DTE, BP and NextEnergy established hydrogen filling stations using multiple technologies for on-site hydrogen generation, storage and dispensing. DTE established a hydrogen station in Southfield, Michigan while NextEnergy and BP worked together to construct one hydrogen station in Detroit. BP constructed another fueling station in Burbank, California and provided a full-time hydrogen trailer at San Francisco, California and a hydrogen station located at Los Angeles International Airport in Southern, California. Stations were operated between 2005 and 2011. The Team deployed 30 Gen I Fuel Cell Vehicles (FCVs) in the beginning of the project. While 28 Gen I F-CELLs used the A-Class platform, the remaining 2 were Sprinter delivery vans. Fuel cell vehicles were operated by external customers for real-world operations in various regions (ecosystems) to capture various driving patterns and climate conditions (hot, moderate and cold). External operators consisted of F-CELL partner organizations in California and Michigan

Method for modifying trigger level for adsorber regeneration

Science.gov (United States)

Ruth, Michael J.; Cunningham, Michael J.

2010-05-25

A method for modifying a NO.sub.x adsorber regeneration triggering variable. Engine operating conditions are monitored until the regeneration triggering variable is met. The adsorber is regenerated and the adsorbtion efficiency of the adsorber is subsequently determined. The regeneration triggering variable is modified to correspond with the decline in adsorber efficiency. The adsorber efficiency may be determined using an empirically predetermined set of values or by using a pair of oxygen sensors to determine the oxygen response delay across the sensors.

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.

Synthesis of polyetherimide / halloysite nanotubes (PEI/HNTs) based nanocomposite membrane towards hydrogen storage

Science.gov (United States)

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

2018-04-01

Even though hydrogen is considered as green and clean energy sources of future, the blooming of hydrogen economy mainly relies on the development of safe and efficient hydrogen storage medium. The present work is aimed at the synthesis and characterization of polyetherimide/acid treated halloysite nanotubes (PEI/A-HNTs) nanocomposite membranes for solid state hydrogen storage medium, where phase inversion technique was adopted for the synthesis of nanocomposite membrane. The synthesized PEI/A-HNTs nanocomposite membranes were characterized by XRD, FTIR, SEM, EDX, CHNS elemental analysis and TGA. Hydrogenation studies were performed using a Sievert's-like hydrogenation setup. The important conclusions arrived from the present work are the PEI/A-HNTs nanocomposite membranes have better performance with a maximum hydrogen storage capacity of 3.6 wt% at 100 °C than pristine PEI. The adsorbed hydrogen possesses the average binding energy of 0.31 eV which lies in the recommended range of US- DOE 2020 targets. Hence it is expected that the PEI/A-HNTs nanocomposite membranes may have bright extent in the scenario of hydrogen fuel cell applications.

A novel fiber-based adsorbent technology

Energy Technology Data Exchange (ETDEWEB)

Reynolds, T.A. [Chemica Technologies, Inc., Bend, OR (United States)

1997-10-01

In this Phase I Small Business Innovation Research program, Chemica Technologies, Inc. is developing an economical, robust, fiber-based adsorbent technology for removal of heavy metals from contaminated water. The key innovation is the development of regenerable adsorbent fibers and adsorbent fiber cloths that have high capacity and selectivity for heavy metals and are chemically robust. The process has the potential for widespread use at DOE facilities, mining operations, and the chemical process industry.

Novel Fiber-Based Adsorbent Technology; FINAL

International Nuclear Information System (INIS)

Nixon, P.G.; Tsukamoto, T.; Brose, D.J.

2001-01-01

The overall of this Department of Energy (DOE) Phase II SBIR program was to develop a new class of highly robust fiber-based adsorbents for recovery of heavy metals from aqueous waste-streams. The fiber-based adsorbents,when commercialized,will be used for clean up metals in aqueous waste-streams emanating from DOE facilities,industry,mining,and groundwater-cleanup operations.The amount of toxic waste released by these streams is of great significance.The U.S.Environment Protection Agency (EPA) reports that in 1990 alone,4.8 billion pounds of toxic chemicals were released into the environment.Of this waste,the metals-containing waste was the second largest contributor,representing 569 million pounds. This report presents the results of the Phase II program,which successfully synthesized noval fiber-based adsorbents for the removal of Group 12 metals(i.e.mercury),Group 14 metals (lead),and Group 10 metals(platinum and palladium) from contaminated groundwater and industrial waste streams.These fiber-based adsorbents are ideally suited for the recovery of metal ions from aqueous waste streams presently not treatable due to the degrading nature of corrosive chemicals or radioactive components in the feed stream. The adsorbents developed in this program rely on chemically resistant and robust carbon fibers and fabrics as supports for metal-ion selective ligands.These adsorbents demonstrate loading capacities and selectivities for metal ions exceeding those of conventional ion-exchange resins.The adsorbents were also used to construct filter modules that demonstrate minimal fouling,minimal compaction,chemical and physical robustness,and regeneration of metal loading capacity without loss of performance

Remarkably Enhanced Room-Temperature Hydrogen Sensing of SnO₂ Nanoflowers via Vacuum Annealing Treatment.

Science.gov (United States)

Liu, Gao; Wang, Zhao; Chen, Zihui; Yang, Shulin; Fu, Xingxing; Huang, Rui; Li, Xiaokang; Xiong, Juan; Hu, Yongming; Gu, Haoshuang

2018-03-23

In this work, SnO₂ nanoflowers synthesized by a hydrothermal method were employed as hydrogen sensing materials. The as-synthesized SnO₂ nanoflowers consisted of cuboid-like SnO₂ nanorods with tetragonal structures. A great increase in the relative content of surface-adsorbed oxygen was observed after the vacuum annealing treatment, and this increase could have been due to the increase in surface oxygen vacancies serving as preferential adsorption sites for oxygen species. Annealing treatment resulted in an 8% increase in the specific surface area of the samples. Moreover, the conductivity of the sensors decreased after the annealing treatment, which should be attributed to the increase in electron scattering around the defects and the compensated donor behavior of the oxygen vacancies due to the surface oxygen adsorption. The hydrogen sensors of the annealed samples, compared to those of the unannealed samples, exhibited a much higher sensitivity and faster response rate. The sensor response factor and response rate increased from 27.1% to 80.2% and 0.34%/s to 1.15%/s, respectively. This remarkable enhancement in sensing performance induced by the annealing treatment could be attributed to the larger specific surface areas and higher amount of surface-adsorbed oxygen, which provides a greater reaction space for hydrogen. Moreover, the sensors with annealed SnO₂ nanoflowers also exhibited high selectivity towards hydrogen against CH₄, CO, and ethanol.

Hydrogen Production from Nuclear Energy via High Temperature Electrolysis

International Nuclear Information System (INIS)

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

2006-01-01

This paper presents the technical case for high-temperature nuclear hydrogen production. A general thermodynamic analysis of hydrogen production based on high-temperature thermal water splitting processes is presented. Specific details of hydrogen production based on high-temperature electrolysis are also provided, including results of recent experiments performed at the Idaho National Laboratory. Based on these results, high-temperature electrolysis appears to be a promising technology for efficient large-scale hydrogen production

Final Technical Report: Hydrogen Energy in Engineering Education (H2E3)

Energy Technology Data Exchange (ETDEWEB)

Lehman, Peter A.; Cashman, Eileen; Lipman, Timothy; Engel, Richard A.

2011-09-15

Schatz Energy Research Center's Hydrogen Energy in Engineering Education curriculum development project delivered hydrogen energy and fuel cell learning experiences to over 1,000 undergraduate engineering students at five California universities, provided follow-on internships for students at a fuel cell company; and developed commercializable hydrogen teaching tools including a fuel cell test station and a fuel cell/electrolyzer experiment kit. Monitoring and evaluation tracked student learning and faculty and student opinions of the curriculum, showing that use of the curriculum did advance student comprehension of hydrogen fundamentals. The project web site (hydrogencurriculum.org) provides more information.

Final Report: Characterization of Hydrogen Adsorption in Carbon-Based Materials by NMR

International Nuclear Information System (INIS)

Wu, Yue; Kleinhammes, Alfred

2011-01-01

In support of DOE/EERE's Fuel Cell Technologies Program Hydrogen Sorption Center of Excellence (HSCoE), UNC conducted Nuclear Magnetic Resonance (NMR) measurements that contributed spectroscopic information as well as quantitative analysis of adsorption processes. While NMR based Langmuir isotherms produce reliable H2 capacity measurements, the most astute contribution to the center is provided by information on dihydrogen adsorption on the scale of nanometers, including the molecular dynamics of hydrogen in micropores, and the diffusion of dihydrogen between macro and micro pores. A new method to assess the pore width using H2 as probe of the pore geometry was developed and is based on the variation of the observed chemical shift of adsorbed dihydrogen as function of H2 pressure. Adsorbents designed and synthesized by the Center were assessed for their H2 capacity, the binding energy of the adsorption site, their pore structure and their ability to release H2. Feedback to the materials groups was provided to improve the materials properties. To enable in situ NMR measurements as a function of H2 pressure and temperature, a unique, specialized NMR system was designed and built. Pressure can be varied between 10-4 and 107 Pa while the temperature can be controlled between 77K and room temperature. In addition to the 1H investigation of the H2 adsorption process, NMR was implemented to measure the atomic content of substituted elements, e.g. boron in boron substituted graphitic material as well as to determine the local environment and symmetry of these substituted nuclei. The primary findings by UNC are the following: (1) Boron substituted for carbon in graphitic material in the planar BC3 configuration enhances the binding energy for adsorbed hydrogen; (2) Arrested kinetics of H2 was observed below 130K in the same boron substituted carbon samples that combine enhanced binding energy with micropore structure; (3) Hydrogen storage material made from activated PEEK

Final Report: Characterization of Hydrogen Adsorption in Carbon-Based Materials by NMR

Energy Technology Data Exchange (ETDEWEB)

Wu, Yue; Kleinhammes, Alfred

2011-07-11

In support of DOE/EERE's Fuel Cell Technologies Program Hydrogen Sorption Center of Excellence (HSCoE), UNC conducted Nuclear Magnetic Resonance (NMR) measurements that contributed spectroscopic information as well as quantitative analysis of adsorption processes. While NMR based Langmuir isotherms produce reliable H2 capacity measurements, the most astute contribution to the center is provided by information on dihydrogen adsorption on the scale of nanometers, including the molecular dynamics of hydrogen in micropores, and the diffusion of dihydrogen between macro and micro pores. A new method to assess the pore width using H2 as probe of the pore geometry was developed and is based on the variation of the observed chemical shift of adsorbed dihydrogen as function of H2 pressure. Adsorbents designed and synthesized by the Center were assessed for their H2 capacity, the binding energy of the adsorption site, their pore structure and their ability to release H2. Feedback to the materials groups was provided to improve the materials’ properties. To enable in situ NMR measurements as a function of H2 pressure and temperature, a unique, specialized NMR system was designed and built. Pressure can be varied between 10-4 and 107 Pa while the temperature can be controlled between 77K and room temperature. In addition to the 1H investigation of the H2 adsorption process, NMR was implemented to measure the atomic content of substituted elements, e.g. boron in boron substituted graphitic material as well as to determine the local environment and symmetry of these substituted nuclei. The primary findings by UNC are the following: • Boron substituted for carbon in graphitic material in the planar BC3 configuration enhances the binding energy for adsorbed hydrogen. • Arrested kinetics of H2 was observed below 130K in the same boron substituted carbon samples that combine enhanced binding energy with micropore structure. • Hydrogen storage material made from

WGS-Adsorbent Reaction Studies at Laboratory Scale

International Nuclear Information System (INIS)

Marano, M.; Torreiro, Y.

2014-01-01

This document reports the most significant results obtained during the experimental work performed under task WGS adsorbent experimental studies within CAPHIGAS project (National Research Plan 2008-2011, ref: ENE2009-08002). The behavior of the binary adsorbent-catalyst system which will be used in the hybrid system is described in this document. Main results reported here were used during the design and development of the hybrid system adsorbent catalyst- membrane proposed in the CAPHIGAS project. The influence of main operating parameters and the optimized volume ratio adsorbent-catalyst are also presented in this report. (Author)

Hydrogen: the future of the car

International Nuclear Information System (INIS)

Beuzit, P.

2007-01-01

With the end of the petroleum resources, the hydrogen offers interesting perspectives in the context of a sustainable development. The authors analyze the challenges of the hydrogen vehicle: the substitution fuels, the technical interior design, the cost of this evolution, the impacts on the world energy map and the part played by the France and the automobile sector in this evolution. (A.L.B.)

Present status of research on hydrogen energy and perspective of HTGR hydrogen production system

Energy Technology Data Exchange (ETDEWEB)

Miyamoto, Yoshiaki; Ogawa, Masuro; Akino, Norio [Japan Atomic Energy Research Inst., Oarai, Ibaraki (Japan). Oarai Research Establishment] [and others

2001-03-01

A study was performed to make a clear positioning of research and development on hydrogen production systems with a High Temperature Gas-cooled Reactor (HTGR) under currently promoting at the Japan Atomic Energy Research Institute through a grasp of the present status of hydrogen energy, focussing on its production and utilization as an energy in future. The study made clear that introduction of safe distance concept for hydrogen fire and explosion was practicable for a HTGR hydrogen production system, including hydrogen properties and need to provide regulations applying to handle hydrogen. And also generalization of hydrogen production processes showed technical issues of the HTGR system. Hydrogen with HTGR was competitive to one with fossil fired system due to evaluation of production cost. Hydrogen is expected to be used as promising fuel of fuel cell cars in future. In addition, the study indicated that there were a large amount of energy demand alternative to high efficiency power generation and fossil fuel with nuclear energy through the structure of energy demand and supply in Japan. Assuming that hydrogen with HTGR meets all demand of fuel cell cars, an estimation would show introduction of the maximum number of about 30 HTGRs with capacity of 100 MWt from 2020 to 2030. (author)

Universal dependence of hydrogen oxidation and evolution reaction activity of platinum-group metals on pH and hydrogen binding energy.

Science.gov (United States)

Zheng, Jie; Sheng, Wenchao; Zhuang, Zhongbin; Xu, Bingjun; Yan, Yushan

2016-03-01

Understanding how pH affects the activity of hydrogen oxidation reaction (HOR) and hydrogen evolution reaction (HER) is key to developing active, stable, and affordable HOR/HER catalysts for hydroxide exchange membrane fuel cells and electrolyzers. A common linear correlation between hydrogen binding energy (HBE) and pH is observed for four supported platinum-group metal catalysts (Pt/C, Ir/C, Pd/C, and Rh/C) over a broad pH range (0 to 13), suggesting that the pH dependence of HBE is metal-independent. A universal correlation between exchange current density and HBE is also observed on the four metals, indicating that they may share the same elementary steps and rate-determining steps and that the HBE is the dominant descriptor for HOR/HER activities. The onset potential of CO stripping on the four metals decreases with pH, indicating a stronger OH adsorption, which provides evidence against the promoting effect of adsorbed OH on HOR/HER.

Hydrogen storage capacity of titanium met-cars

International Nuclear Information System (INIS)

Akman, N; Durgun, E; Yildirim, T; Ciraci, S

2006-01-01

The adsorption of hydrogen molecules on the titanium metallocarbohedryne (met-car) cluster has been investigated by using the first-principles plane wave method. We have found that, while a single Ti atom at the corner can bind up to three hydrogen molecules, a single Ti atom on the surface of the cluster can bind only one hydrogen molecule. Accordingly, a Ti 8 C 12 met-car can bind up to 16 H 2 molecules and hence can be considered as a high-capacity hydrogen storage medium. Strong interaction between two met-car clusters leading to the dimer formation can affect H 2 storage capacity slightly. Increasing the storage capacity by directly inserting H 2 into the met-car or by functionalizing it with an Na atom have been explored. It is found that the insertion of neither an H 2 molecule nor an Na atom could further promote the H 2 storage capacity of a Ti 8 C 12 cluster. We have also tested the stability of the H 2 -adsorbed Ti 8 C 12 met-car with ab initio molecular dynamics calculations which have been carried out at room temperature

Band mapping of surface states vs. adsorbate coverage

International Nuclear Information System (INIS)

Rotenberg, E.; Kevan, S.D.; Denlinger, J.D.; Chung, Jin-Wook

1997-01-01

The theory of electron bands, which arises from basic quantum mechanical principles, has been the cornerstone of solid state physics for over 60 years. Simply put, an energy band is an electron state in a solid whose energy varies with its momentum (similar to, but with a more complicated dependence than, how a free electron's energy is proportional to its momentum squared). Much attention over the last 15 years has been given to the study of band structure of surfaces and interfaces, especially as the applications of these two-dimensional systems have become increasingly important to industry and science. The ultraESCA endstation at beamline 7.01 at the Advanced Light Source was developed for very high-energy - (∼50 meV) and angular - ( 12 photons/sec) makes the detailed study of the evolution of bands possible. The authors are interested in learning how, when one forms a chemical bond between a metal and an overlaying atom or molecule, the resulting charge transfer to or from the adsorbate affects the surface bands. In some cases of interest, intermediate coverages lead to different band structure than at the extremes of clean and saturated surfaces. Surfaces of tungsten are particularly interesting, as their atomic geometry has been shown to be exquisitely sensitive to both the surface vibrational and electronic properties. In this study, the authors looked at the surface bands of tungsten ((110) surface), as a function both of coverage and mass of overlaying atoms. The adsorbed atoms were hydrogen and the alkali atoms lithium and cesium

The probability of heterogeneous recombination of hydrogen atoms in low-temperature hydrogen plasma

International Nuclear Information System (INIS)

Islyaikin, A.; Rybkin, V.; Svetsov, V.

2000-01-01

In the group of the optical methods, the investigations of the process of recombination of the hydrogen atoms were studied mainly by the jet procedure, based on the measurement of the dependence of the intensity of radiation of the discharge on the speed of flow of particles which makes it possible to obtain information on the processes of annihilation of active particles on the surface of the discharge device both in the zone of plasma at outside to the zone (in the post glow region). However, to realise this method, it is necessary to use higher linear speed of the flow of the particles and this creates additional technical difficulties. A similar disadvantage is not found in the calculation methods of technical application with special reference to the examination of the processes of heterogeneous recombination of the atoms in the low-temperature hydrogen plasma is the main task of this work

First-principles investigation of hydrogen storage capacity of Y-decorated porous graphene

Energy Technology Data Exchange (ETDEWEB)

Yuan, Lihua, E-mail: yuanlh@lut.cn [State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); School of Sciences, Lanzhou University of Technology, Lanzhou 730050 (China); Chen, Yuhong, E-mail: chenyh@lut.cn [State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); School of Sciences, Lanzhou University of Technology, Lanzhou 730050 (China); Kang, Long [State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); Zhang, Cairong [State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); School of Sciences, Lanzhou University of Technology, Lanzhou 730050 (China); Wang, Daobin; Wang, Chunni [School of Sciences, Lanzhou University of Technology, Lanzhou 730050 (China); Zhang, Meiling [School of Sciences, Lanzhou University of Technology, Lanzhou 730050 (China); School of Nuclear Science and Technology, Lanzhou university, 73000 (China); Wu, Xiaojuan [State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China)

2017-03-31

Highlights: • The bridge of C–C bond is favorable site for a Y atom on the single side of PG and six H{sub 2} can be absorbed around it. • Two Y atoms can be stably adsorbed on the same side of one unit cell of PG, but there isn’t sufficient space for H{sub 2} absorbing around each Y atom. • The maximum number of absorbed Y atoms is two for double side of PG unit cell. • Fourteen H{sub 2} can be absorbed on the both sides of PG, and the hydrogen storage capacity is 7.87 wt.%. - Abstract: Based on first-principles method, the electron structure of porous graphene (PG) and adsorption ability of H{sub 2} molecular on Y-decorated porous graphene are investigated using CASTEP code. It is found that the bridge of C–C bond which connects two C hexagons is favorable site for a Y atom adsorbed on the single side of PG, and six H{sub 2} molecules can be absorbed around a Y atom with average adsorption energy of −0.297 eV/H{sub 2} computed by GGA-PBE functional. Though two Y atoms can be stably adsorbed on the same side of one unit cell of PG, there isn’t sufficient space for H{sub 2} absorbing around each Y atom. To improve capability of hydrogen storage, the unit cell of PG with single side should only contain one Y atom. For the case of double side of porous graphene, two Y atoms are preferably located above the center of the different C hexagon. Fourteen H{sub 2} molecules can be absorbed on both sides of PG, and the gravimetric hydrogen storage capacity is 7.87 wt.% with the average adsorption energy of −0.23 eV/H{sub 2}.

Hydrogenation of hexene over platinum on alumina vs. platinum in a Na-Y zeolite

International Nuclear Information System (INIS)

Miner, R.S. Jr.; Ione, K.G.; Namba, S.; Turkevich, J.

1978-01-01

In order to study the efficacy of zeolites as supports, several platinum H--Y zeolites were prepared by ion exchanging an H--Y zeolite with Pt(NH 3 ) 4 Cl 2 and reducing these products with hydrazine hydrate (A, B, C). Another preparation was made by adsorbing 32-A platinum sol on the zeolite crystallites (D). These catalysts were studied for hydrogenation and isomerization of hexene-1, ethylene hydrogenation, hydrogen chemisorption, and poison titration. They were compared with monodisperse Pt (32 A diameter) on alumina. A marked difference was found between the behavior of hexene-1 with the platinum-in-zeolite and with the platinum-on-alumina

Dissolved Air Flotation of arsenic adsorbent particles

Directory of Open Access Journals (Sweden)

Mario Enrique Santander Muñoz

2015-01-01

Full Text Available The removal of arsenic from synthetic effluent was studied using the adsorbent particle flotation technique (APF and dissolved air flotation (DAF. A sample of an iron mineral was used as adsorbent particles of arsenic, ferric chloride as coagulant, cationic poly-acrylamide (NALCO 9808 as flocculants, and sodium oleate as collector. Adsorption studies to determine the pH influence, contact time, and adsorbent particles concentration on the adsorption of arsenic were carried out along with flotation studies to determine the removal efficiency of adsorbents particles. The results achieved indicate that the adsorption kinetic of arsenic is very rapid and that in range of pH’s from 2 to 7 the adsorption percentages remain constant. The equilibrium conditions were achieved in 60 minutes and about 95% of arsenic was adsorbed when used an adsorbent concentration of 2 g/L and pH 6.3. The maximum adsorption capacity of adsorbent particles was 4.96 mg/g. The mean free energy of adsorption (E was found to be 2.63 kJ/mol, which suggests physisorption. The results of the flotation studies demonstrated that when synthetic effluents with 8.9 mg/L of arsenic were treated under the following experimental conditions; 2 g/L of adsorbent particles, 120 mg/L of Fe(III, 2 mg/L of Nalco 9808, 20 mg/L of sodium oleate, and 40% of recycle ratio in the DAF, it was possible to reach 98% of arsenic removal and 6.3 NTU of residual turbidity in clarified synthetic effluent.

Hydrogen-induced metallization on Ge(1 1 1) c(2 x 8)

International Nuclear Information System (INIS)

Razado, I.C.; Zhang, H.M.; Hansson, G.V.; Uhrberg, R.I.G.

2006-01-01

We have studied hydrogen adsorption on the Ge(1 1 1) c(2 x 8) surface using scanning tunneling microscopy (STM) and angle-resolved photoelectron spectroscopy (ARPES). We find that atomic hydrogen preferentially adsorbs on rest atom sites. The neighbouring adatoms appear higher in STM images, which clearly indicates a charge transfer from the rest atom states to the adatom states. The surface states near the Fermi-level have been followed by ARPES as function of H exposure. Initially, there is strong emission from the rest atom states but no emission at the Fermi-level which confirms the semiconducting character of the c(2 x 8) surface. With increasing H exposure a structure develops in the close vicinity of the Fermi-level. The energy position clearly indicates a metallic character of the H-adsorbed surface. Since the only change in the STM images is the increased brightness of the adatoms neighbouring a H-terminated rest atom, we identify the emission at the Fermi-level with these adatom states

Kinetic analysis on photocatalytic degradation of gaseous acetaldehyde, ammonia and hydrogen sulfide on nanosized porous TiO2 films

Directory of Open Access Journals (Sweden)

Iis Sopyan

2007-01-01

Full Text Available The characteristics of the UV illumination-assisted degradation of gaseous acetaldehyde, hydrogen sulfide, and ammonia on highly active nanostructured-anatase and rutile films were investigated. It was found that the anatase film showed a higher photocatalytic activity than the counterpart did, however, the magnitude of difference in the photocatalytic activity of both films decreased in the order ammonia>acetaldehyde>hydrogen sulfide. To elucidate the reasons for the observation, the adsorption characteristics and the kinetics of photocatalytic degradation of the three reactants on both films were analyzed. The adsorption analysis examined using a simple Langmuir isotherm, showed that adsorbability on both films decreased in the order ammonia>acetaldehyde>hydrogen sulfide, which can be explained in terms of the decreasing electron-donor capacity. Acetaldehyde and ammonia adsorbed more strongly and with higher coverage on anatase film (1.2 and 5.6 molecules/nm2, respectively than on rutile (0.6 and 4.7 molecules/nm2, respectively. Conversely, hydrogen sulfide molecules adsorbed more strongly on rutile film (0.7 molecules/nm2 than on anatase (0.4 molecules/nm2. Exposure to UV light illumination brought about the photocatalytic oxidation of the three gases in contact with both TiO2 films, and the decrease in concentration were measured, and their kinetics are analyzed in terms of the Langmuir–Hinshelwood kinetic model. From the kinetic analysis, it was found that the anatase film showed the photocatalytic activities that were factors of ~8 and ~5 higher than the rutile film for the degradation of gaseous ammonia and acetaldehyde, respectively. However, the activity was only a factor of ~1.5 higher for the photodegradation of hydrogen sulfide. These observations are systematically explained by the charge separation efficiency and the adsorption characteristics of each catalyst as well as by the physical and electrochemical properties of each

Impact of Ni promotion on the hydrogenation pathways of phenanthrene on MoS 2 /γ-Al 2 O 3

Energy Technology Data Exchange (ETDEWEB)

Schachtl, Eva; Yoo, Jong Suk; Gutiérrez, Oliver Y.; Studt, Felix; Lercher, Johannes A.

2017-08-01

The reaction network and elementary steps of the hydrogenation of phenanthrene are explored on parent and Ni-promoted MoS2/c-Al2O3. Two pathways were identified, i.e., Path 1: Phenanthrene _ 9,10-dihydrophenanthrene (DiHPhe)?1,2,3,4,4a,9,10,10a-octahydro-phenanthrene (asymOHPhe), and Path 2: Phenanthrene ?1,2,3,4-tetrahydrophenanthrene (TetHPhe)?1,2,3,4,5,6,7,8-octahydrophenan threne. The steps TetHPhe?asymOHPhe (hydrogenation), and DiHPhe?TetHPhe (hydrogenationisomerization) become notable at phenanthrene conversions above 20%. The reaction preferentially proceeds via Path 1 (90% selectivity) on MoS2/Al2O3. Ni promotion (Ni/(Ni + Mo) molar ratio of 0.3 at the edges on MoS2) increases the hydrogenation activity per active edge twofold and leads to 50% selectivity to both pathways. The reaction orders in H2 vary from _0.8 on MoS2/Al2O3 to _1.2 on Ni-MoS2/Al2O3, whereas the reaction orders in phenanthrene (_0.6) hardly depend on Ni promotion. The reaction orders in H2S are zero on MoS2/Al2O3 and slightly negative on Ni-MoS2/Al2O3. DFT calculations indicate that phenanthrene is preferentially adsorbed parallel to the basal planes, while H is located at the edges perpendicular to the basal planes. Theory also suggests that Ni atoms, incorporated preferentially on the S-edges, increase the stability of hydrogenated intermediates. Hydrogenation of phenanthrene proceeds through quasi-equilibrated adsorption of the reactants followed by consecutive addition of hydrogen pairs to the adsorbed hydrocarbon. The rate determining steps for the formation of DiHPhe and TetHPhe are the addition of the first and second hydrogen pair, respectively. The concentration of SH groups (activated H at the edges) increases with Ni promotion linearly correlating the rates of Path 1 and Path 2, albeit with different functions. The enhancing effect of Ni on Path 2 is attributed to accelerated hydrogen addition to adsorbed hydrocarbons without important changes in their coverages.

Nonadiabatic effects on surfaces: Kohn anomaly, electronic damping of adsorbate vibrations, and local heating of single molecules

International Nuclear Information System (INIS)

Kroeger, J

2008-01-01

Three aspects of electron-phonon coupling at metal surfaces are reviewed. One aspect is the Kohn effect, which describes an anomalous dispersion relation of surface phonons due to quasi-one-dimensional nesting of Fermi surface contours. The combination of electron energy loss spectroscopy and angle-resolved photoelectron spectroscopy allows us to unambiguously characterize Kohn anomaly systems. A second aspect is the nonadiabatic damping of adsorbate vibrations. Characteristic spectroscopic line shapes of vibrational modes allow us to estimate the amount of energy transfer between the vibrational mode and electron-hole pairs. Case studies of a Kohn anomaly and nonadiabatic damping are provided by the hydrogen- and deuterium-covered Mo(110) surface. As a third aspect of interaction between electrons and phonons, local heating of a C 60 molecule adsorbed on Cu(100) and in contact with the tip of a scanning tunnelling microscope is covered

NEW MATERIAL NEEDS FOR HYDROCARBON FUEL PROCESSING: Generating Hydrogen for the PEM Fuel Cell

Science.gov (United States)

Farrauto, R.; Hwang, S.; Shore, L.; Ruettinger, W.; Lampert, J.; Giroux, T.; Liu, Y.; Ilinich, O.

2003-08-01

The hydrogen economy is fast approaching as petroleum reserves are rapidly consumed. The fuel cell promises to deliver clean and efficient power by combining hydrogen and oxygen in a simple electrochemical device that directly converts chemical energy to electrical energy. Hydrogen, the most plentiful element available, can be extracted from water by electrolysis. One can imagine capturing energy from the sun and wind and/or from the depths of the earth to provide the necessary power for electrolysis. Alternative energy sources such as these are the promise for the future, but for now they are not feasible for power needs across the globe. A transitional solution is required to convert certain hydrocarbon fuels to hydrogen. These fuels must be available through existing infrastructures such as the natural gas pipeline. The present review discusses the catalyst and adsorbent technologies under development for the extraction of hydrogen from natural gas to meet the requirements for the proton exchange membrane (PEM) fuel cell. The primary market is for residential applications, where pipeline natural gas will be the source of H2 used to power the home. Other applications including the reforming of methanol for portable power applications such as laptop computers, cellular phones, and personnel digital equipment are also discussed. Processing natural gas containing sulfur requires many materials, for example, adsorbents for desulfurization, and heterogeneous catalysts for reforming (either autothermal or steam reforming) water gas shift, preferential oxidation of CO, and anode tail gas combustion. All these technologies are discussed for natural gas and to a limited extent for reforming methanol.

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-07-15

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

Design, construction and test run of a solid adsorption solar refrigerator using activated carbon/methanol, as adsorbent/adsorbate pair

International Nuclear Information System (INIS)

Anyanwu, E.E.; Ezekwe, C.I.

2003-01-01

The design, construction and test run of a solid adsorption solar refrigerator are presented. It used activated carbon/methanol as the adsorbent/adsorbate pair. The refrigerator has three major components: collector/generator/adsorber, condenser and evaporator. Its flat plate type collector/generator/adsorber used clear plane glass sheet of effective exposed area of 1.2 m 2 . The steel condenser tube with a square plan view was immersed in pool of stagnant water contained in a reinforced sandcrete tank. The evaporator is a spirally coiled copper tube immersed in stagnant water. Adsorbent cooling during the adsorption process is both by natural convection of air over the collector plate and tubes and night sky radiation facilitated by removing the collector box end cover plates. Ambient temperatures during the adsorbate generation and adsorption process varied over 18.5-34 deg. C. The refrigerator yielded evaporator temperatures ranging over 1.0-8.5 deg. C from water initially in the temperature range 24-28 deg. C. Accordingly, the maximum daily useful cooling produced was 266.8 kJ/m 2 of collector area

Study on the adsorption performance of composite adsorbent of CaCl2 and expanded graphite with ammonia as adsorbate

International Nuclear Information System (INIS)

Li, S.L.; Wu, J.Y.; Xia, Z.Z.; Wang, R.Z.

2009-01-01

A novel constant volume test unit was built to study the adsorption performance of a new type composite adsorbent. This test unit can measure the adsorption isosteres of the working pairs. The adsorption isosteres are the curves of the adsorption pressure variation with the adsorption temperatures at constant adsorption quantities. Compared to the former test results of isothermals and isobars, the isosteres are better for the calculation of the adsorption heat, desorption heat and the selection the adsorption working pairs. Three experimental results were obtained: the first result was that the expanded graphite powders were superior to the expandable graphite powders to facilitate the transportation of working fluid in the composite adsorbent. The second one was that the composite adsorbent treated by solution is more homogeneous than the simple mixed composite adsorbent and the treated composite adsorbent has a better mass transfer performance. The last one was that the adsorption isosteres was the same one not only in the heating process but also in the cooling process and this performance was not relevant to the homogeneity of the composite adsorbent

Reduction of friction stress of ethylene glycol by attached hydrogen ions

Science.gov (United States)

Li, Jinjin; Zhang, Chenhui; Deng, Mingming; Luo, Jianbin

2014-01-01

In the present work, it is shown that the friction stress of ethylene glycol can decrease by an order of magnitude to achieve superlubricity if there are hydrogen ions attached on the friction surfaces. An ultra-low friction coefficient (μ = 0.004) of ethylene glycol between Si3N4 and SiO2 can be obtained with the effect of hydrogen ions. Experimental result indicates that the hydrogen ions adsorbed on the friction surfaces forming a hydration layer and the ethylene glycol in the contact region forming an elastohydrodynamic film are the two indispensable factors for the reduction of friction stress. The mechanism of superlubricity is attributed to the extremely low shear strength of formation of elastohydrodynamic film on the hydration layer. This finding may introduce a new approach to reduce friction coefficient of liquid by attaching hydrogen ions on friction surfaces. PMID:25428584

Hydrogen energy systems studies

Energy Technology Data Exchange (ETDEWEB)

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

1996-10-01

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

On the Role of Surface Modifications of Palladium Catalysts in the Selective Hydrogenation of Acetylene

DEFF Research Database (Denmark)

Studt, Felix; Abild-Pedersen, Frank; Bligaard, Thomas

2008-01-01

Summing Me up: DFT calculations have shown that alloying, subsurface carbon, and hydride formation, all increase the selectivity of Pd catalysts for acetylene hydrogenation by weakening the surface–adsorbate bond. A simple descriptor—the adsorption energy of a methyl group—has been used to quanti...

Hydrogen production through small capacity water electrolysis systems; Production d'hydrogene par electrolyse de l'eau. Application a des systemes de petite capacite

Energy Technology Data Exchange (ETDEWEB)

Schulz, Ph. [TotalFinaElf, la Defense 6, 92 - Courbevoie (France)

2002-01-01

Less than 1 % of the world's hydrogen is produced by electrolysis of water, in large plants mainly in connection with hydropower. For users requiring extremely pure hydrogen, electrolysis can be a convenient mean of obtaining the required hydrogen quality, where cheap electricity is available. This paper aims at presenting the latest technical developments of small capacity electrolyzers, that could fuel hydrogen cells or internal combustion engines. (author)

Hydrogen energy economy: More than utopia

International Nuclear Information System (INIS)

Weber, R.

1992-01-01

Under the pressure of increasing climate changes in the last years the attitude towards hydrogen technology has changed. Germany has taken a leading position in hydrogen research. Above all there is not only government-sponsored research but also industrial research. It is even assumed that an energy economy on the basis of solar energy as well as of hydrogen is technically possible. If the fact that the total power of all cars in the FRG amounts to 200.000 MW - twice as much as all power stations - is taken into consideration it should be possible to produce in large-scale production decentralized solar or hydrogen energy converters at similar kilowatt rates. (BWI) [de

Hydrogen Embrittlement

Science.gov (United States)

Woods, Stephen; Lee, Jonathan A.

2016-01-01

Hydrogen embrittlement (HE) is a process resulting in a decrease in the fracture toughness or ductility of a metal due to the presence of atomic hydrogen. In addition to pure hydrogen gas as a direct source for the absorption of atomic hydrogen, the damaging effect can manifest itself from other hydrogen-containing gas species such as hydrogen sulfide (H2S), hydrogen chloride (HCl), and hydrogen bromide (HBr) environments. It has been known that H2S environment may result in a much more severe condition of embrittlement than pure hydrogen gas (H2) for certain types of alloys at similar conditions of stress and gas pressure. The reduction of fracture loads can occur at levels well below the yield strength of the material. Hydrogen embrittlement is usually manifest in terms of singular sharp cracks, in contrast to the extensive branching observed for stress corrosion cracking. The initial crack openings and the local deformation associated with crack propagation may be so small that they are difficult to detect except in special nondestructive examinations. Cracks due to HE can grow rapidly with little macroscopic evidence of mechanical deformation in materials that are normally quite ductile. This Technical Memorandum presents a comprehensive review of experimental data for the effects of gaseous Hydrogen Environment Embrittlement (HEE) for several types of metallic materials. Common material screening methods are used to rate the hydrogen degradation of mechanical properties that occur while the material is under an applied stress and exposed to gaseous hydrogen as compared to air or helium, under slow strain rates (SSR) testing. Due to the simplicity and accelerated nature of these tests, the results expressed in terms of HEE index are not intended to necessarily represent true hydrogen service environment for long-term exposure, but rather to provide a practical approach for material screening, which is a useful concept to qualitatively evaluate the severity of

Electric field improved hydrogen storage of Ca-decorated monolayer MoS{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Song, Nahong [College of Computer and Information Engineering, Henan University of Economics and Law, Zhengzhou 450002 (China); International Joint Research Laboratory for Quantum Functional Materials of Henan, and School of Physics and Engineering, Zhengzhou University, Zhengzhou 450001 (China); Wang, Yusheng [College of Mathematics and Information Science, North China University of Water Resources and Electric Power, Zhengzhou 450011 (China); International Joint Research Laboratory for Quantum Functional Materials of Henan, and School of Physics and Engineering, Zhengzhou University, Zhengzhou 450001 (China); Gao, Haiyan; Jiang, Weifen; Zhang, Jing; Xu, Bin [College of Mathematics and Information Science, North China University of Water Resources and Electric Power, Zhengzhou 450011 (China); Sun, Qiang [International Joint Research Laboratory for Quantum Functional Materials of Henan, and School of Physics and Engineering, Zhengzhou University, Zhengzhou 450001 (China); Jia, Yu, E-mail: jiayu@zzu.edu.cn [International Joint Research Laboratory for Quantum Functional Materials of Henan, and School of Physics and Engineering, Zhengzhou University, Zhengzhou 450001 (China)

2015-04-17

Hydrogen storage property of Ca-decorated MoS{sub 2} is carried out using first-principles calculations. Our calculations demonstrate that the preferential binding of Ca atoms on MoS{sub 2} effectively prevent the Ca clustering. Six H{sub 2} molecules per Ca atom can be adsorbed with a desirable adsorption energy of 0.14 eV/H{sub 2}. Both hybridization of the Ca-3d and S-2s with the H-1s orbital and the polarization of the H{sub 2} molecules contribute to the hydrogen adsorption. Our results show that the external electric field can effectively tune the hydrogen adsorption energy, therefore making hydrogen storage and release reversible. - Highlights: • Ca binds with MoS{sub 2} stalely without clustering. • It can operate under ambient thermodynamic conditions. • External electric field can effectively tune the hydrogen adsorption energy.

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-02-25

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

Adsorbent catalytic nanoparticles and methods of using the same

Energy Technology Data Exchange (ETDEWEB)

Slowing, Igor Ivan; Kandel, Kapil

2017-01-31

The present invention provides an adsorbent catalytic nanoparticle including a mesoporous silica nanoparticle having at least one adsorbent functional group bound thereto. The adsorbent catalytic nanoparticle also includes at least one catalytic material. In various embodiments, the present invention provides methods of using and making the adsorbent catalytic nanoparticles. In some examples, the adsorbent catalytic nanoparticles can be used to selectively remove fatty acids from feedstocks for biodiesel, and to hydrotreat the separated fatty acids.

New Fiber Materials with Sorption Capacity at 5.0 g-U/kg Adsorbent under Marine Testing Conditions

Energy Technology Data Exchange (ETDEWEB)

Saito, Tomonori [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Brown, S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Das, Sadananda [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Mayes, Richard T. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Janke, Christopher James [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Dai, Sheng [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kuo, Li-Jung [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Strivens, Jonathan E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Schlafer, Nicholas [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Wood, J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gill, G. A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Flicker Byers, M. [Univ. of Texas, Austin, TX (United States); Schneider, Eric [Univ. of Texas, Austin, TX (United States)

2016-03-30

The Fuel Resources program of the Fuel Cycle Research and Development program of the Office of Nuclear Energy (NE) has focused on assuring that nuclear fuel resources are available in the United States for a long term. An immense source of uranium is seawater, which contains an estimated amount of 4.5 billion tonnes of dissolved uranium. Extraction of the uranium resource in seawater can provide a price cap and ensure centuries of uranium supply for future nuclear energy production. NE initiated a multidisciplinary program with participants from national laboratories, universities, and research institutes to enable technical breakthroughs related to uranium recovery from seawater. The goal is to develop advanced adsorbents to make the seawater uranium recovery technology a cost competitive, viable technology. Under this program, Oak Ridge National Laboratory (ORNL) has developed several novel adsorbents, which enhanced the uranium capacity 4-5 times from the state-of-the art Japanese adsorbents. Uranium exists uniformly at a concentration of ~3.3 ppb in seawater. Because of the vast volume of the oceans, the total estimated amount of uranium in seawater is approximately 1000 times larger than its amount in terrestrial resources. However, due to the low concentration, a significant challenge remains for making the extraction of uranium from seawater a commercially viable alternative technology. The biggest challenge for this technology to overcome to efficiently reduce the extraction cost is to develop adsorbents with increased uranium adsorption capacity. Two major approaches were investigated for synthesizing novel adsorbents with enhanced uranium adsorption capacity. One method utilized conventional radiation induced graft polymerization (RIGP) to synthesize adsorbents on high-surface area trunk fibers and the other method utilized a chemical grafting technique, atom-transfer radical polymerization (ATRP). Both approaches have shown promising uranium extraction

Magnetic adsorbent constructed from the loading of amino functionalized Fe{sub 3}O{sub 4} on coordination complex modified polyoxometalates nanoparticle and its tetracycline adsorption removal property study

Energy Technology Data Exchange (ETDEWEB)

Ou, Jinzhao; Mei, Mingliang; Xu, Xinxin, E-mail: xuxx@mail.neu.edu.cn

2016-06-15

A magnetic polyoxometalates based adsorbent has been synthesized successfully through the loading of amino functionalized Fe{sub 3}O{sub 4} (NH{sub 2}-Fe{sub 3}O{sub 4}) on nanoparticle of a coordination complex modified polyoxometalates (CC/POMNP). FTIR illustrate there exist intense hydrogen bonds between NH{sub 2}-Fe{sub 3}O{sub 4} and CC/POMNP, which keep the stability of this adsorbent. At room temperature, this adsorbent exhibits ferromagnetic character with saturation magnetization of 8.19 emu g{sup −1}, which provides prerequisite for fast magnetic separation. Water treatment experiment illustrates this POM based magnetic adsorbent exhibits high adsorption capacity on tetracycline. The adsorption process can be described well with Temkin model, which illustrates the interaction between adsorbent and tetracycline plays the dominated role in tetracycline removal. The rapid, high efficient tetracycline adsorption ability suggests this POM based magnetic adsorbent exhibits promising prospect in medical and agriculture waste water purification. A magnetic polyoxometalates based adsorbent, which exhibits excellent tetracycline adsorption removal property has been synthesized through the loading of NH{sub 2}-Fe{sub 3}O{sub 4} on coordination complex modified polyoxometalates - Graphical abstract: A magnetic polyoxometalates based adsorbent, which exhibits excellent tetracycline adsorption removal property has been synthesized through the loading of NH{sub 2}-Fe{sub 3}O{sub 4} on coordination complex modified polyoxometalate. Display Omitted - Highlights: • A POM based magnetic adsorbent was fabricated through the loading of NH{sub 2}-Fe{sub 3}O{sub 4} on POM nanoparticle. • This adsorbent possesses excellent tetracycline adsorption property. • Saturation magnetization value of this adsorbent is 8.19 emug−1, which is enough for magnetic separation.

Hydrogen Gas Retention and Release from WTP Vessels: Summary of Preliminary Studies

Energy Technology Data Exchange (ETDEWEB)

Gauglitz, Phillip A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Bontha, Jagannadha R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Daniel, Richard C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Mahoney, Lenna A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Rassat, Scot D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Wells, Beric E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Bao, Jie [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Boeringa, Gregory K. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Buchmiller, William C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Burns, Carolyn A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Chun, Jaehun [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Karri, Naveen K. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Li, Huidong [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Tran, Diana N. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2015-07-01

The Hanford Waste Treatment and Immobilization Plant (WTP) is currently being designed and constructed to pretreat and vitrify a large portion of the waste in the 177 underground waste storage tanks at the Hanford Site. A number of technical issues related to the design of the pretreatment facility (PTF) of the WTP have been identified. These issues must be resolved prior to the U.S. Department of Energy (DOE) Office of River Protection (ORP) reaching a decision to proceed with engineering, procurement, and construction activities for the PTF. One of the issues is Technical Issue T1 - Hydrogen Gas Release from Vessels (hereafter referred to as T1). The focus of T1 is identifying controls for hydrogen release and completing any testing required to close the technical issue. In advance of selecting specific controls for hydrogen gas safety, a number of preliminary technical studies were initiated to support anticipated future testing and to improve the understanding of hydrogen gas generation, retention, and release within PTF vessels. These activities supported the development of a plan defining an overall strategy and approach for addressing T1 and achieving technical endpoints identified for T1. Preliminary studies also supported the development of a test plan for conducting testing and analysis to support closing T1. Both of these plans were developed in advance of selecting specific controls, and in the course of working on T1 it was decided that the testing and analysis identified in the test plan were not immediately needed. However, planning activities and preliminary studies led to significant technical progress in a number of areas. This report summarizes the progress to date from the preliminary technical studies. The technical results in this report should not be used for WTP design or safety and hazards analyses and technical results are marked with the following statement: “Preliminary Technical Results for Planning – Not to be used for WTP Design

Solar Hydrogen Fuel Cell Projects at Brooklyn Tech

Science.gov (United States)

Fedotov, Alex; Farah, Shadia; Farley, Daithi; Ghani, Naureen; Kuo, Emmy; Aponte, Cecielo; Abrescia, Leo; Kwan, Laiyee; Khan, Ussamah; Khizner, Felix; Yam, Anthony; Sakeeb, Khan; Grey, Daniel; Anika, Zarin; Issa, Fouad; Boussayoud, Chayama; Abdeldayem, Mahmoud; Zhang, Alvin; Chen, Kelin; Chan, Kameron Chuen; Roytman, Viktor; Yee, Michael

2010-01-01

This article describes the projects on solar hydrogen powered vehicles using water as fuel conducted by teams at Brooklyn Technical High School. Their investigations into the pure and applied chemical thermodynamics of hydrogen fuel cells and bio-inspired devices have been consolidated in a new and emerging sub-discipline that they define as solar…

Hydrogen adsorption in doped porous carbons

International Nuclear Information System (INIS)

L Balan; L Duclaux; S Los

2005-01-01

Full text of publication follows: Hydrogen is a clean fuel that will be used in automotive transport when the problem of storage will be solved. The difficulties of H 2 storage (available space, security and performance, etc...) require a material that can store 5 weight % of hydrogen. Research is focused on new materials that can assume the constraints imposed by the automotive applications. Among these materials, the nano-structured carbons (nano-fibers and single walled carbon nano-tubes) were claimed to be promising by numerous authors [1-3]. The more promising carbon materials for hydrogen adsorption are those having micropores (i. e. single walled carbon nano-tubes and activated carbon), for which the energy of sorption of hydrogen molecules is theoretically higher [7-8]. Presently, the best performance of hydrogen adsorption was found in super-activated microporous carbons sorbing 5 weight % at 77 K, and almost 0.5 % at room temperature and 6 MPa [9]. Up to now, the performance of these materials can still be improved as the known mechanism of sorption in these carbon materials: physi-sorption controlled by Van der Waals attractive forces through London interaction is efficient at cryogenic temperatures (77 K) where the interaction between adsorbent and adsorbate becomes stronger. One way to improve the attractive interaction between adsorbent and molecule is to increase the forces due to the interaction of electrical field and induced dipole of the molecule. This can be theoretically tailored in carbon materials through the electron charge transfer by electron donors who can provide an increase in the electrical field at the surface of the adsorbent. Then, the doping of carbon substrates, appearing to be a promising method to increase the energy of adsorption has been proposed in recent papers as a solution to obtain good hydrogen adsorption properties at appropriate temperatures close to room temperatures [10-12]. Thus, we have studied the adsorption

Hydrogen adsorption in doped porous carbons

International Nuclear Information System (INIS)

Balan, L.; Duchaux, L.; Los, S.

2005-01-01

Full text of publication follows: Hydrogen is a clean fuel that will be used in automotive transport when the problem of storage will be solved. The difficulties of H 2 storage (available space, security and performance, etc...) require a material that can store 5 weight % of hydrogen. Research is focused on new materials that can assume the constraints imposed by the automotive applications. Among these materials, the nano-structured carbons (nano-fibers and single walled carbon nano-tubes) were claimed to be promising by numerous authors [1-3]. The more promising carbon materials for hydrogen adsorption are those having micropores (i. e. single walled carbon nano-tubes and activated carbon), for which the energy of sorption of hydrogen molecules is theoretically higher [7- 8]. Presently, the best performance of hydrogen adsorption was found in super-activated micro-porous carbons sorbing 5 weight % at 77 K, and almost 0.5 % at room temperature and 6 MPa [9]. Up to now, the performance of these materials can still be improved as the known mechanism of sorption in these carbon materials: physisorption controlled by Van der Waals attractive forces through London interaction is efficient at cryogenic temperatures (77 K) where the interaction between adsorbent and adsorbate becomes stronger. One way to improve the attractive interaction between adsorbent and molecule is to increase the forces due to the interaction of electrical field and induced dipole of the molecule. This can be theoretically tailored in carbon materials through the electron charge transfer by electron donors who can provide an increase in the electrical field al the surface of the adsorbent. Then, the doping of carbon substrates, appearing to be a promising method to increase the energy of adsorption has been proposed in recent papers as a solution to obtain good hydrogen adsorption properties at appropriate temperatures close to room temperatures [10-12]. Thus, we have studied the adsorption

Development of adsorbents for recovery of uranium from seawater

International Nuclear Information System (INIS)

Egawa, Hiroaki; Furusaki, Shintaro.

1987-01-01

The largest subject for putting the extraction of uranium from seawater in practical use is the development of high performance adsorbents for uranium. In this paper, the way of thinking about the development of adsorbents for extracting uranium from seawater and the recent reports on this subject are described. Next, the research on the adsorbing capacity and adsorbing rate of the adsorbents developed so far is summarized, and the way of thinking about the evaluation of adsorbent performance which is the base of the design of a system for extracting uranium from seawater is explained, taking amidoxime type adsorbent as the example. For Japan where energy resources are scant, the uranium contained in seawater, which is estimated to be about 4.2 billion t, is the most luring important element. Uranium is contained in seawater is very low concentration of 3 ppb, and exists as anion complex salt. In 1960s, the Harwell Atomic Energy Research Establishment in UK found out that titanium oxide hydrate is the most promising as the adsorbent. Also a number of organic absorbents have been developed. In order to bring adsorbents in contact with seawater, pumping, ocean current and wave force are utilized. Adsorbents are in spherical, fiber and film forms, and held as fixed beds and fluidized beds. (Kako, I.) 48 refs

An in situ XPS study of L-cysteine co-adsorbed with water on polycrystalline copper and gold

Science.gov (United States)

Jürgensen, Astrid; Raschke, Hannes; Esser, Norbert; Hergenröder, Roland

2018-03-01

The interactions of biomolecules with metal surfaces are important because an adsorbed layer of such molecules introduces complex reactive functionality to the substrate. However, studying these interactions is challenging: they usually take place in an aqueous environment, and the structure of the first few monolayers on the surface is of particular interest, as these layers determine most interfacial properties. Ideally, this requires surface sensitive analysis methods that are operated under ambient conditions, for example ambient pressure x-ray photoelectron spectroscopy (AP-XPS). This paper focuses on an AP-XPS study of the interaction of water vapour and l-Cysteine on polycrystalline copper and gold surfaces. Thin films of l-Cysteine were characterized with XPS in UHV and in a water vapour atmosphere (P ≤ 1 mbar): the structure of the adsorbed l-Cysteine layer depended on substrate material and deposition method, and exposure of the surface to water vapour led to the formation of hydrogen bonds between H2O molecules and the COO- and NH2 groups of adsorbed l-Cysteine zwitterions and neutral molecules, respectively. This study also proved that it is possible to investigate monolayers of biomolecules in a gas atmosphere with AP-XPS using a conventional laboratory Al-Kα x-ray source.

Removal of chromium (VI from aqueous medium using chemically modified banana peels as efficient low-cost adsorbent

Directory of Open Access Journals (Sweden)

Ashraf Ali

2016-09-01

Full Text Available The adsorptive removal of hexavalent chromium Cr(VI from aqueous solutions was investigated by acrylonitrile grafted banana peels (GBPs. Banana peels were treated with 10% HCl, followed by alkaline hydrolysis with 10% NaOH, and washed thoroughly. The bleaching of alkali hydrolyzed peels was carried out with sodium chlorate (NaClO3 in the presence of hydrogen peroxide and glacial acetic acid. The grafting co-polymerization of acrylonitrile onto the bleached pulp was initiated by Fenton’s reagent (Fe+2/H2O2. The optimum conditions for adsorption of Cr(VI were found to be the following: pH 3, adsorbent dose 4 g/L, concentration 400 mg/L and contact time of 120 min. The surface morphology of adsorbent was characterized by scanning electron microscopy (SEM before and after the adsorption. The adsorption of Cr(VI onto grafted banana peels (GBPs was recorded to be 96%. The adsorption data were fully fitted with the Freundlich and Langmuir isotherm model and followed a pseudo-second order kinetic model. Thermodynamic study showed that the adsorption is exothermic and spontaneous. Owing to high efficiency and low cost, grafted banana peels (GBPs can be used as effective adsorbent for Cr(VI removal from wastewater.

Investigation of A-3 adsorbent-ditolylmethane two-phase system

International Nuclear Information System (INIS)

Ermakov, V.A.; Benderskaya, O.S.

1988-01-01

Compatibility of A-3 adsorbent, produced on the basis of palygoskite clay, with organic coolant of nuclear reactors-ditolylmethane (DTM)- and the possibility to use the given adsorbent for DTM purification from surfactant impurities are investigated. Compatibility of the adsorbent with DTM was evaluated by the concentration of its constituents in liquid phase. Sufactant adsorption was observed by the change in acid number of coolant, optical density at λ=396 nm and adsorbate mass in the adsorbent. From spent adsorbent the coolant was washed out by n-heptane, and the adsorbate - by methylene chloride, othanol and water in succession. On the basis of the results obtained the conclusion is made that A3 possesses a high chemical stability in DTM medium, i.e. it is compatible with DTM and can be used for its purification from surfactant impurities sorbed on heat-transferring surface

DNA base dimers are stabilized by hydrogen-bonding interactions including non-Watson-Crick pairing near graphite surfaces.

Science.gov (United States)

Shankar, Akshaya; Jagota, Anand; Mittal, Jeetain

2012-10-11

Single- and double-stranded DNA are increasingly being paired with surfaces and nanoparticles for numerous applications, such as sensing, imaging, and drug delivery. Unlike the majority of DNA structures in bulk that are stabilized by canonical Watson-Crick pairing between Ade-Thy and Gua-Cyt, those adsorbed on surfaces are often stabilized by noncanonical base pairing, quartet formation, and base-surface stacking. Not much is known about these kinds of interactions. To build an understanding of the role of non-Watson-Crick pairing on DNA behavior near surfaces, one requires basic information on DNA base pair stacking and hydrogen-bonding interactions. All-atom molecular simulations of DNA bases in two cases--in bulk water and strongly adsorbed on a graphite surface--are conducted to study the relative strengths of stacking and hydrogen bond interactions for each of the 10 possible combinations of base pairs. The key information obtained from these simulations is the free energy as a function of distance between two bases in a pair. We find that stacking interactions exert the dominant influence on the stability of DNA base pairs in bulk water as expected. The strength of stability for these stacking interactions is found to decrease in the order Gua-Gua > Ade-Gua > Ade-Ade > Gua-Thy > Gua-Cyt > Ade-Thy > Ade-Cyt > Thy-Thy > Cyt-Thy > Cyt-Cyt. On the other hand, mutual interactions of surface-adsorbed base pairs are stabilized mostly by hydrogen-bonding interactions in the order Gua-Cyt > Ade-Gua > Ade-Thy > Ade-Ade > Cyt-Thy > Gua-Gua > Cyt-Cyt > Ade-Cyt > Thy-Thy > Gua-Thy. Interestingly, several non-Watson-Crick base pairings, which are commonly ignored, have similar stabilization free energies due to interbase hydrogen bonding as Watson-Crick pairs. This clearly highlights the importance of non-Watson-Crick base pairing in the development of secondary structures of oligonucleotides near surfaces.

Final Scientifc Report - Hydrogen Education State Partnership Project

Energy Technology Data Exchange (ETDEWEB)

Leon, Warren

2012-02-03

Under the leadership of the Department of Energy Hydrogen and Fuel Cells program, Clean Energy States Alliance (CESA) educated and worked with state leaders to encourage wider deployment of fuel cell and hydrogen technologies. Through outreach to state policymakers, legislative leaders, clean energy funds, energy agencies, and public utility commissions, CESA worked to accomplish the following objectives of this project: 1. Provide information and technical assistance to state policy leaders and state renewable energy programs in the development of effective hydrogen fuel cell programs. 2. Identify and foster hydrogen program best practices. 3. Identify and promote strategic opportunities for states and the Department of Energy (DOE) to advance hydrogen technology deployment through partnerships, collaboration, and targeted activities. Over the three years of this project, CESA, with our partner National Conference of State Legislatures (NCSL), was able to provide credible information on fuel cell policies, finance, and technical assistance to hundreds of state officials and other stakeholders. CESA worked with its membership network to effectively educate state clean energy policymakers, program managers, and decision makers about fuel cell and hydrogen technologies and the efforts by states to advance those technologies. With the assistance of NCSL, CESA gained access to an effective forum for outreach and communication with state legislators from all 50 states on hydrogen issues and policies. This project worked to educate policymakers and stakeholders with the potential to develop and deploy stationary and portable fuel cell technologies.

Irradiation Degradation of Adsorbents for Minor Actinides Recovery

International Nuclear Information System (INIS)

Watanabe, S.; Sano, Y.; Kofuji, H.; Takeuchi, M.; Koizumi, T.

2015-01-01

Extraction chromatography is one of the promising technologies for minor actinides (MA: Am and Cm) recovery from high-level liquid waste. The degradation behaviour of the organic species in the adsorbents under radiation exposure is important to discuss the safety and durability of the adsorbent in the extraction chromatography process. In this study, gamma-ray irradiation experiments on TODGA/SiO 2 -P adsorbent were carried out to investigate the degradation products from radiolysis of the adsorbent. The degraded organic species eluted from the adsorbent and those remaining inside the adsorbent were thoroughly identified by GC/MS, FT-IR and NMR analyses. The species suspected as hydrolysis products of TODGA were mainly detected from the analyses. Since some radicals such as.H or.OH are generated by the gamma-ray irradiation on water molecules, it was discussed that the radicals products from radiolysis of HNO 3 solution are related to the degradation reaction of the extractants. (authors)

Investigations Into the Reusability of Amidoxime-Based Polymeric Uranium Adsorbents

Energy Technology Data Exchange (ETDEWEB)

Kuo, Li-Jung [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Science Lab.; Gill, Gary A. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Science Lab.; Strivens, Jonathan E. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Science Lab.; Wood, Jordana R. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Science Lab.; Schlafer, Nicholas J. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Science Lab.; Wai, Chien M. [Univ. of Idaho, Moscow, ID (United States); LCW Supercritical Technologies, Seattle, WA (United States); Pan, H. B. [Univ. of Idaho, Moscow, ID (United States)

2016-09-28

Significant advancements in amidoxime-based polymeric adsorbents to extract uranium from seawater are achieved in recent years. The success of uranium adsorbent development can help provide a sustainable supply of fuel for nuclear reactors. To bring down the production cost of this new technology, in addition to the development of novel adsorbents with high uranium capacity and manufacture cost, the development of adsorbent re-using technique is critical because it can further reduce the cost of the adsorbent manufacture. In our last report, the use of high concentrations of bicarbonate solution (3M KHCO3) was identified as a cost-effective, environmental friendly method to strip uranium from amidoxime-based polymeric adsorbents. This study aims to further improve the method for high recovery of uranium capacity in re-uses and to evaluate the performance of adsorbents after multiple re-use cycles. Adsorption of dissolved organic matter (DOM) on the uranium adsorbents during seawater exposure can hinder the uranium adsorption and slow down the adsorption rate. An additional NaOH rinse (0.5 M NaOH, room temperature) was applied after the 3 M KHCO3 elution to remove natural organic matter from adsorbents. The combination of 3 M KHCO3 elution and 0.5 M NaOH rinse significantly improves the recovery of uranium adsorption capacity in the re-used adsorbents. In the first re-use, most ORNL adsorbents tested achieve ~100% recovery by using 3 M KHCO3 elution + 0.5 M NaOH rinse approach, in comparison to 54% recovery when only 3 M KHCO3 elution was applied. A significant drop in capacity was observed when the adsorbents went through more than one re-use. FTIR spectra revealed that degradation of amidoxime ligands occurs during seawater exposure, and is more significant the longer the exposure time. Significantly elevated ratios of Ca/U and Mg/U in re-used adsorbents support the decrease in abundance of amidoxime ligands and increase carboxylate group from FT-IR analysis. The

Codes and Standards Technical Team Roadmap

Energy Technology Data Exchange (ETDEWEB)

None

2013-06-01

The Hydrogen Codes and Standards Tech Team (CSTT) mission is to enable and facilitate the appropriate research, development, & demonstration (RD&D) for the development of safe, performance-based defensible technical codes and standards that support the technology readiness and are appropriate for widespread consumer use of fuel cells and hydrogen-based technologies with commercialization by 2020. Therefore, it is important that the necessary codes and standards be in place no later than 2015.

Testing of adsorbents used in nuclear power plant air cleaning systems using the open-quotes Newclose quotes standards

International Nuclear Information System (INIS)

Freeman, W.P.

1993-01-01

Ever since the publication of the NRC Information Notice No. 87-32: Deficiencies in the Testing of Nuclear-Grade Activated Charcoal, nuclear power facilities in the US have struggled in their efforts to open-quotes...review the information for applicability to their facilities and consider action, if appropriate ...close quotes as stated in the notice. The encouragement of resident NRC inspectors at some nuclear power facilities has prompted a variety of responses ranging from no change at all in testing requirements to contemplated changes in plant technical specifications. This confusion is the result of a couple factors. The first factor is the lack of a current revision to NRC Regulatory Guide 1.52, the basic document used in nuclear power plant technical specifications for the testing of engineered-safety feature (ESF) post accident air cleaning systems. The second factor is the standards that have been written since the last revision of Reg. Guide 1.52 which include two revision of ANSI N509 and N510, two revisions of RDT M16-1T, two version of ASTM D3803, two versions of ASTM D4069, and three versions of an SME code AG-1. Few of the standards and codes listed above are commensurate with each other and, thus, present a nearly insolvable maze to the HVAC engineer asked to upgrade adsorbent testing requirements following the standards. This paper describes the authors experience with a number of nuclear power facilities in their efforts to meet the requirements of the new standards of testing adsorbents from nuclear power plant air cleaning systems. The existing standards are discussed in light of the current state of the art for adsorbent testing of adsorbent media from nuclear air treatment systems. Test results are presented showing the impact of new test requirements on acceptance criteria when compared to the old test requirements and recommendations are offered for solution of this testing problem in the future. 12 refs., 5 tabs

Hydrogen generation and foaming during tests in the GFPS simulating DWPF operations with Tank 42 sludge and CST

Energy Technology Data Exchange (ETDEWEB)

Koopman, D.C.

1999-12-08

This report summarizes the pilot-scale research requested by the salt disposition team to examine the effect of crystalline silicotitanate (CST) resin with adsorbed noble metals on the maximum hydrogen generation rate produced during the DWPF melter feed preparation processes.

Hydrogen generation and foaming during tests in the GFPS simulating DWPF operations with Tank 42 sludge and CST

International Nuclear Information System (INIS)

Koopman, D.C.

1999-01-01

This report summarizes the pilot-scale research requested by the salt disposition team to examine the effect of crystalline silicotitanate (CST) resin with adsorbed noble metals on the maximum hydrogen generation rate produced during the DWPF melter feed preparation processes

Configuration and technology implications of potential nuclear hydrogen system applications.

Energy Technology Data Exchange (ETDEWEB)

Conzelmann, G.; Petri, M.; Forsberg, C.; Yildiz, B.; ORNL

2005-11-05

Nuclear technologies have important distinctions and potential advantages for large-scale generation of hydrogen for U.S. energy services. Nuclear hydrogen requires no imported fossil fuels, results in lower greenhouse-gas emissions and other pollutants, lends itself to large-scale production, and is sustainable. The technical uncertainties in nuclear hydrogen processes and the reactor technologies needed to enable these processes, as well waste, proliferation, and economic issues must be successfully addressed before nuclear energy can be a major contributor to the nation's energy future. In order to address technical issues in the time frame needed to provide optimized hydrogen production choices, the Nuclear Hydrogen Initiative (NHI) must examine a wide range of new technologies, make the best use of research funding, and make early decisions on which technology options to pursue. For these reasons, it is important that system integration studies be performed to help guide the decisions made in the NHI. In framing the scope of system integration analyses, there is a hierarchy of questions that should be addressed: What hydrogen markets will exist and what are their characteristics? Which markets are most consistent with nuclear hydrogen? What nuclear power and production process configurations are optimal? What requirements are placed on the nuclear hydrogen system? The intent of the NHI system studies is to gain a better understanding of nuclear power's potential role in a hydrogen economy and what hydrogen production technologies show the most promise. This work couples with system studies sponsored by DOE-EE and other agencies that provide a basis for evaluating and selecting future hydrogen production technologies. This assessment includes identifying commercial hydrogen applications and their requirements, comparing the characteristics of nuclear hydrogen systems to those market requirements, evaluating nuclear hydrogen configuration options

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

Processing method and device for iodine adsorbing material

International Nuclear Information System (INIS)

Watanabe, Shin-ichi; Shiga, Reiko.

1997-01-01

An iodine adsorbing material adsorbing silver compounds is reacted with a reducing gas, so that the silver compounds are converted to metal silver and stored. Then, the silver compounds are not melted or recrystallized even under a highly humid condition, accordingly, peeling of the adsorbed materials from a carrier can be prevented, and the iodine adsorbing material can be stored stably. Since the device is disposed in an off gas line for discharging off gases from a nuclear power facility, the iodine adsorbing material formed by depositing silver halides to the carrier is contained, and a reducing or oxidizing gas is supplied to the vessel as required, and silver halides can be converted to metal silver or the metal silver can be returned to silver halide. (T.M.)

Regenerative adsorbent heat pump

Science.gov (United States)

Jones, Jack A. (Inventor)

1991-01-01

A regenerative adsorbent heat pump process and system is provided which can regenerate a high percentage of the sensible heat of the system and at least a portion of the heat of adsorption. A series of at least four compressors containing an adsorbent is provided. A large amount of heat is transferred from compressor to compressor so that heat is regenerated. The process and system are useful for air conditioning rooms, providing room heat in the winter or for hot water heating throughout the year, and, in general, for pumping heat from a lower temperature to a higher temperature.

Numerical analysis on hydrogen stratification and post-inerting of hydrogen risk

International Nuclear Information System (INIS)

Peng, Cheng; Tong, Lili; Cao, Xuewu

2016-01-01

Highlights: • A three-dimensional computational model was built and the applicability was discussed. • The formation of helium stratification was further studied. • Three influencing factors on the post-inerting of hydrogen risk were analyzed. - Abstract: In the case of severe accidents, the risk of hydrogen explosion threatens the integrity of the nuclear reactor containment. According to nuclear regulations, hydrogen control is required to ensure the safe operation of the nuclear reactor. In this study, the method of Computational Fluid Dynamics (CFD) has been applied to analyze process of hydrogen stratification and the post-inerting of hydrogen risk in the Large-Scale Gas Mixing Facility. A three-dimensional computational model was built and the applicability of different turbulence models was discussed. The result shows that the helium concentration calculated by the standard k–ε turbulence model is closest to the experiment data. Through analyzing the formation of helium stratification at different injection velocities, it is found that when the injection mass flow is constant and the injection velocity of helium increases, the mixture of helium and air is enhanced while there is rarely influence on the formation of helium stratification. In addition, the influences of mass flow rate, injection location and direction and inert gas on the post-inerting of hydrogen risk have been analyzed and the results are as follows: with the increasing of mass flow rate, the mitigation effect of nitrogen on hydrogen risk will be further improved; there is an obvious local difference between the mitigation effects of nitrogen on hydrogen risk in different injection directions and locations; when the inert gas is injected at the same mass flow rate, the mitigation effect of steam on hydrogen risk is better than that of nitrogen. This study can provide technical support for the mitigation of hydrogen risk in the small LWR containment.

Study of the Adsorbent-Adsorbate Interactions from Cd(II) and Pb(II) Adsorption on Activated Carbon and Activated Carbon Fiber

Energy Technology Data Exchange (ETDEWEB)

Kim, Dae Ho; Kim, Doo Won; Kim, Bohye; Yang, Kap Seung [Chonnam National Univ., Gwangju (Korea, Republic of); Lim, Yongkyun; Park, Eun Nam [Microfilter Co., Ltd, Seoul (Korea, Republic of)

2013-02-15

The adsorption characteristics of Cd(II) and Pb(II) in aqueous solution using granular activated carbon (GAC), activated carbon fiber (ACF), modified ACF (NaACF), and a mixture of GAC and NaACF (GAC/NaACF) have been studied. The surface properties, such as morphology, surface functional groups, and composition of various adsorbents were determined using X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) measurements. The specific surface area, total pore volume, and pore size distribution were investigated using nitrogen adsorption, Brunauer-Emmett-Teller (BET), and Barrett-Joyner-Halenda (BJH) methods. In this study, NaACF showed a high adsorption capacity and rate for heavy metal ions due to the improvement of its ion-exchange capabilities by additional oxygen functional groups. Moreover, the GAC and NaACF mixture was used as an adsorbent to determine the adsorbent-adsorbate interaction in the presence of two competitive adsorbents.

Study of the Adsorbent-Adsorbate Interactions from Cd(II) and Pb(II) Adsorption on Activated Carbon and Activated Carbon Fiber

International Nuclear Information System (INIS)

Kim, Dae Ho; Kim, Doo Won; Kim, Bohye; Yang, Kap Seung; Lim, Yongkyun; Park, Eun Nam

2013-01-01

The adsorption characteristics of Cd(II) and Pb(II) in aqueous solution using granular activated carbon (GAC), activated carbon fiber (ACF), modified ACF (NaACF), and a mixture of GAC and NaACF (GAC/NaACF) have been studied. The surface properties, such as morphology, surface functional groups, and composition of various adsorbents were determined using X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) measurements. The specific surface area, total pore volume, and pore size distribution were investigated using nitrogen adsorption, Brunauer-Emmett-Teller (BET), and Barrett-Joyner-Halenda (BJH) methods. In this study, NaACF showed a high adsorption capacity and rate for heavy metal ions due to the improvement of its ion-exchange capabilities by additional oxygen functional groups. Moreover, the GAC and NaACF mixture was used as an adsorbent to determine the adsorbent-adsorbate interaction in the presence of two competitive adsorbents

Hycom Pre - Feasibility study. Final report[Hydrogen communities

Energy Technology Data Exchange (ETDEWEB)

Lacobazzi, A; Mario, F di [ENEA, (Italy); Hasenauer, U [Fraunhofer IS, (Germany); Joergensen, B H; Bromand Noergaard, P [Risoe National Lab., (Denmark)

2005-07-01

The Quick-start Programme of the European Union Initiative for Growth identifies the hydrogen economy as one of the key areas for investment in the medium term (2004-2015). In this context the HyCOM (Hydrogen Communities) programme has been initiated. The main goal of this programme is the creation of a limited number of strategically sited stand-alone hydrogen communities producing hydrogen from various primary sources (mostly renewables) and using it for heat and electricity production and as fuel for vehicles. This report looks at the establishment of such hydrogen communities, analysing the main technical, economic, social, and environmental aspects as well as financial and regulatory barriers associated with the creation and operation of hydrogen communities. It also proposes a number of concepts for Hydrogen Communities and criteria with which a Hydrogen Community should be evaluated. The study is not in any way intended to be prescriptive. (ln)

Conductive Boron-Doped Graphene as an Ideal Material for Electrocatalytically Switchable and High-Capacity Hydrogen Storage.

Science.gov (United States)

Tan, Xin; Tahini, Hassan A; Smith, Sean C

2016-12-07

Electrocatalytic, switchable hydrogen storage promises both tunable kinetics and facile reversibility without the need for specific catalysts. The feasibility of this approach relies on having materials that are easy to synthesize, possessing good electrical conductivities. Graphitic carbon nitride (g-C 4 N 3 ) has been predicted to display charge-responsive binding with molecular hydrogen-the only such conductive sorbent material that has been discovered to date. As yet, however, this conductive variant of graphitic carbon nitride is not readily synthesized by scalable methods. Here, we examine the possibility of conductive and easily synthesized boron-doped graphene nanosheets (B-doped graphene) as sorbent materials for practical applications of electrocatalytically switchable hydrogen storage. Using first-principle calculations, we find that the adsorption energy of H 2 molecules on B-doped graphene can be dramatically enhanced by removing electrons from and thereby positively charging the adsorbent. Thus, by controlling charge injected or depleted from the adsorbent, one can effectively tune the storage/release processes which occur spontaneously without any energy barriers. At full hydrogen coverage, the positively charged BC 5 achieves high storage capacities up to 5.3 wt %. Importantly, B-doped graphene, such as BC 49 , BC 7 , and BC 5 , have good electrical conductivity and can be easily synthesized by scalable methods, which positions this class of material as a very good candidate for charge injection/release. These predictions pave the route for practical implementation of electrocatalytic systems with switchable storage/release capacities that offer high capacity for hydrogen storage.

Defining the hydrogen bond: An account (IUPAC Technical Report)

Czech Academy of Sciences Publication Activity Database

Arunan, E.; Desiraju, G. R.; Klein, R. A.; Sadlej, J.; Scheiner, S.; Alkorta, I.; Clary, D. C.; Crabtree, R. H.; Dannenberg, J. J.; Hobza, Pavel; Kjaergaard, H. G.; Legon, A. C.; Mennucci, B.; Nesbitt, D. J.

2011-01-01

Roč. 83, č. 8 (2011), s. 1619-1636 ISSN 0033-4545 Institutional research plan: CEZ:AV0Z40550506 Keywords : bonding * electrostatic interactions * hydrogen bonding * molecular interactions Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.789, year: 2011

Multifaceted catalytic hydrogenation of amides via diverse activation of a sterically confined bipyridine-ruthenium framework.

Science.gov (United States)

Miura, Takashi; Naruto, Masayuki; Toda, Katsuaki; Shimomura, Taiki; Saito, Susumu

2017-05-16

Amides are ubiquitous and abundant in nature and our society, but are very stable and reluctant to salt-free, catalytic chemical transformations. Through the activation of a "sterically confined bipyridine-ruthenium (Ru) framework (molecularly well-designed site to confine adsorbed H 2 in)" of a precatalyst, catalytic hydrogenation of formamides through polyamide is achieved under a wide range of reaction conditions. Both C=O bond and C-N bond cleavage of a lactam became also possible using a single precatalyst. That is, catalyst diversity is induced by activation and stepwise multiple hydrogenation of a single precatalyst when the conditions are varied. The versatile catalysts have different structures and different resting states for multifaceted amide hydrogenation, but the common structure produced upon reaction with H 2 , which catalyzes hydrogenation, seems to be "H-Ru-N-H."

Technical development of nuclear air cleaning in the People's Republic of China

International Nuclear Information System (INIS)

Li Xue Qun; Liu Hui; Wang Tie Shen; Xin Song Niam; Guo Liang Tian.

1985-01-01

In the past 20 years, with the utilization of nuclear technology in China, air cleaning techniques were developed to prevent the environment from pollution caused by radioactive materials and to ensure the safety of occupational personnel. The technical developments involve many fields including the manufacture of filter media and adsorbents; the application of filters and iodine adsorbers and the testing of them; the improvement of instruments and methods for aerosol concentration measurement; the retention of radioactive noble gases; and others. As nuclear power stations are to be built in China, nuclear air cleaning will be advancing more rapidly. Many programs have been scheduled, such as producing other types of adsorbers, moisture separators, nuclear grade HEPA filters that have excellent performance to resist adverse circumstances, and in-place testing for units of ventilation systems in nuclear facilities. These programs are discussed

Chitin Adsorbents for Toxic Metals: A Review

Directory of Open Access Journals (Sweden)

Ioannis Anastopoulos

2017-01-01

Full Text Available Wastewater treatment is still a critical issue all over the world. Among examined methods for the decontamination of wastewaters, adsorption is a promising, cheap, environmentally friendly and efficient procedure. There are various types of adsorbents that have been used to remove different pollutants such as agricultural waste, compost, nanomaterials, algae, etc., Chitin (poly-β-(1,4-N-acetyl-d-glucosamine is the second most abundant natural biopolymer and it has attracted scientific attention as an inexpensive adsorbent for toxic metals. This review article provides information about the use of chitin as an adsorbent. A list of chitin adsorbents with maximum adsorption capacity and the best isotherm and kinetic fitting models are provided. Moreover, thermodynamic studies, regeneration studies, the mechanism of adsorption and the experimental conditions are also discussed in depth.

Hydrogen storage in carbon nanotubes.

Science.gov (United States)

Hirscher, M; Becher, M

2003-01-01

The article gives a comprehensive overview of hydrogen storage in carbon nanostructures, including experimental results and theoretical calculations. Soon after the discovery of carbon nanotubes in 1991, different research groups succeeded in filling carbon nanotubes with some elements, and, therefore, the question arose of filling carbon nanotubes with hydrogen by possibly using new effects such as nano-capillarity. Subsequently, very promising experiments claiming high hydrogen storage capacities in different carbon nanostructures initiated enormous research activity. Hydrogen storage capacities have been reported that exceed the benchmark for automotive application of 6.5 wt% set by the U.S. Department of Energy. However, the experimental data obtained with different methods for various carbon nanostructures show an extreme scatter. Classical calculations based on physisorption of hydrogen molecules could not explain the high storage capacities measured at ambient temperature, and, assuming chemisorption of hydrogen atoms, hydrogen release requires temperatures too high for technical applications. Up to now, only a few calculations and experiments indicate the possibility of an intermediate binding energy. Recently, serious doubt has arisen in relation to several key experiments, causing considerable controversy. Furthermore, high hydrogen storage capacities measured for carbon nanofibers did not survive cross-checking in different laboratories. Therefore, in light of today's knowledge, it is becoming less likely that at moderate pressures around room temperature carbon nanostructures can store the amount of hydrogen required for automotive applications.

Sorption enhanced reaction process (SERP) for the production of hydrogen

Energy Technology Data Exchange (ETDEWEB)

Hufton, J.; Mayorga, S.; Gaffney, T.; Nataraj, S.; Rao, M.; Sircar, S. [Air Products and Chemicals, Inc., Allentown, PA (United States)

1998-08-01

The novel Sorption Enhanced Reaction Process has the potential to decrease the cost of hydrogen production by steam methane reforming. Current effort for development of this technology has focused on adsorbent development, experimental process concept testing, and process development and design. A preferred CO{sub 2} adsorbent, K{sub 2}CO{sub 3} promoted hydrotalcite, satisfies all of the performance targets and it has been scaled up for process testing. A separate class of adsorbents has been identified which could potentially improve the performance of the H{sub 2}-SER process. Although this material exhibits improved CO{sub 2} adsorption capacity compared to the HTC adsorbent, its hydrothermal stability must be improved. Single-step process experiments (not cyclic) indicate that the H{sub 2}-SER reactor performance during the reaction step improves with decreasing pressure and increasing temperature and steam to methane ratio in the feed. Methane conversion in the H{sub 2}-SER reactor is higher than for a conventional catalyst-only reactor operated at similar temperature and pressure. The reactor effluent gas consists of 90+% H{sub 2}, balance CH{sub 4}, with only trace levels (< 50 ppm) of carbon oxides. A best-case process design (2.5 MMSCFD of 99.9+% H{sub 2}) based on the HTC adsorbent properties and a revised SER process cycle has been generated. Economic analysis of this design indicates the process has the potential to reduce the H{sub 2} product cost by 25--31% compared to conventional steam methane reforming.

Technical and economic analyses of hydrogen production via indirectly heated gasification and pyrolysis

Energy Technology Data Exchange (ETDEWEB)

Mann, M.K. [National Renewable Energy Laboratory, Golden, CO (United States)

1995-09-01

Technoeconomic analyses have been conducted on two processes to produce hydrogen from biomass: indirectly-heated gasification of biomass followed by steam reforming of the syngas, and biomass pyrolysis followed by steam reforming of the pyrolysis oil. The analysis of the gasification-based process was highly detailed, including a process flowsheet, material and energy balances calculated with a process simulation program, equipment cost estimation, and the determination of the necessary selling price of hydrogen. The pyrolysis-based process analysis was of a less detailed nature, as all necessary experimental data have not been obtained; this analysis is a follow-up to the preliminary economic analysis presented at the 1994 Hydrogen Program Review. A coproduct option in which pyrolysis oil is used to produce hydrogen and a commercial adhesive was also studied for economic viability. Based on feedstock availability estimates, three plant sizes were studied: 907 T/day, 272 T/day, and 27 T/day. The necessary selling price of hydrogen produced by steam reforming syngas from the Battelle Columbus Laboratories indirectly heated biomass gasifier falls within current market values for the large and medium size plants within a wide range of feedstock costs. Results show that the small scale plant does not produce hydrogen at economically competitive prices, indicating that if gasification is used as the upstream process to produce hydrogen, local refueling stations similar to current gasoline stations, would probably not be feasible.

Promoting effect of oxygen for hydrogenation of butadiene over Ni/sub 2/P catalyst

Energy Technology Data Exchange (ETDEWEB)

Nozaki, F.; Kitoh, T.; Sodesawa, T.

1980-04-01

When 0-10 mm Hg of oxygen were added to the reaction of 75 mm Hg butadiene and 225 mm Hg hydrogen over dinickel phosphide in a closed circulation system at 40/sup 0/C, increasing amounts of oxygen caused increasing lengths of induction periods followed by hydrogenation at reaction rates which had a maximum at 3 mm Hg oxygen. This maximum rate was about six times higher than the rate without oxygen addition. Adsorption, temperature-programed desorption, IR spectroscopy, and the product distribution of butadiene deuteration showed that two types of oxygen adsorbed on the dinickel phosphide catalyst; molecular oxygen on nickel, which desorbed on evacuation below 50/sup 0/C and which could be displaced by butadiene, was responsible for the induction period; molecular oxygen on phosphorus atoms, which promoted hydrogen adsorption, was responsible for the increased hydrogenation rate.

Effect of hydrogen adsorption on the formation and annealing of Stone-Wales defects in graphene

Science.gov (United States)

Podlivaev, A. I.; Openov, L. A.

2015-12-01

The heights of energy barriers preventing the formation and annealing of Stone-Wales defects in graphene with a hydrogen atom adsorbed on the defect or in its immediate vicinity have been calculated using the atomistic computer simulation. It has been shown that, in the presence of hydrogen, both barriers are significantly lower than those in the absence of hydrogen. Based on the analysis of the potential energy surface, the frequency factors have been calculated for two different paths of the Stone-Wales transformation, and the temperature dependences of the corresponding annealing times of the defects have been found. The results obtained have been compared with the first-principles calculations and molecular dynamics data.

Development of Advanced Small Hydrogen Engines

Energy Technology Data Exchange (ETDEWEB)

Sapru, Krishna; Tan, Zhaosheng; Chao, Ben

2010-09-30

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

Electric hydrogen recombiner special tests

International Nuclear Information System (INIS)

Wilson, J.F.

1975-12-01

Westinghouse has produced an electric hydrogen recombiner to control hydrogen levels in reactor containments following a postulated loss-of-coolant accident. The recombiner underwent extensive testing for NRC qualification (see WCAP 7709-L and Supplements 1, 2, 3, 4). As a result, WCAP 7709-L and Supplements 1, 2, 3, and 4 have been accepted by the NRC for reference in applications not committed to IEEE-323-1974. Supplement 5 and the next supplement will demonstrate conformance to IEEE-323-1974. This supplement describes additional tests, beyond those necessary to qualify the system, which will be referenced in supplement 6. Each test has demonstrated a considerable margin of safety over required performance. Concurrently, the test results increased the fund of technical information on the electric hydrogen recombiner

Controlling hydrogenation activity and selectivity of bimetallic surfaces and catalysts

Science.gov (United States)

Murillo, Luis E.

also discussed. Chemisorption, TPD, FTIR using a batch reactor for the self-hydrogenation of cyclohexene and CO adsorbed on the bimetallic surfaces were carried out to correlate surface science findings with experiments on supported bimetallic catalysts. To expand the studies on the effect of bimetallic structures on hydrogenation reactions, molecules with multiple functional groups such as alpha,beta-unsaturated aldehydes were also investigated. Studies of selective hydrogenation of a,ss-unsaturated aldehydes toward the desired unsaturated alcohols are of interest for the production of fine chemicals and pharmaceuticals. In these compounds, competitive hydrogenation of the C=C and C=O bonds occurs. TPD and HREELS experiments of acrolein (CH2=CH-CH=O) on Pt-based bimetallic surfaces are performed to investigate their effects on the hydrogenation activity of the C-O bond. The production of the desired unsaturated alcohol, allyl alcohol, has been observed for the first time on Pt-Ni-Pt(111) under UHV conditions. However, the propionaldehyde yield is five times higher than the allyl alcohol yield. Thus, a preferential isomerization reaction of allyl alcohol to propionaldehyde is very likely to occur on the Pt-Ni-Pt(111) surface as observed on the desorption studies of allyl alcohol on this surface. The hydrogenation of acrolein is also carried out under UHV conditions on other 3d-transition metal/Pt(111) surfaces such as Co/Pt(111), Fe/Pt(111), and Cu/Pt(111). So far, the highest activity and allyl alcohol yield are found on the Pt-Ni-Pt(111) surface with pre-adsorbed hydrogen.

A nuclear based hydrogen economy

International Nuclear Information System (INIS)

Sandquist, G.M.; Tamm, G.; Kunze, J.

2005-01-01

Exhausting demands are being imposed upon the world's ability to extract and deliver oil to the nations demanding fluid fossil fuels. This paper analyzes these issues and concludes that there must be no delay in beginning the development of the 'hydrogen economy' using nuclear energy as the primary energy source to provide both the fluid fuel and electrical power required in the 21st century. Nuclear energy is the only proven technology that is abundant and available worldwide to provide the primary energy needed to produce adequate hydrogen fluid fuel supplies to replace oil. Most importantly, this energy transition can be accomplished in an economical and technically proven manner while lowering greenhouse gas emissions. Furthermore, a similar application of using wind and solar to produce hydrogen instead of electricity for the grid can pave the way for the much larger production scales of nuclear plants producing both electricity and hydrogen. (authors)

Advanced nanostructured materials as media for hydrogen storage

International Nuclear Information System (INIS)

David, E.; Niculescu, V.; Armeanu, A.; Sandru, C.; Constantinescu, M.; Sisu, C.

2005-01-01

Full text: In a future sustainable energy system based on renewable energy, environmentally harmless energy carriers like hydrogen, will be of crucial importance. One of the major impediments for the transition to a hydrogen based energy system is the lack of satisfactory hydrogen storage alternatives. Hydrogen storage in nanostructured materials has been proposed as a solution for adequate hydrogen storage for a number of applications, in particular for transportation. This paper is a preliminary study with the focus on possibilities for hydrogen storage in zeolites, alumina and nanostructured carbon materials. The adsorption properties of these materials were evaluated in correlation with their internal structure. From N 2 physisorption data the BET surface area (S BET ) , total pore volume (PV), micropore volume (MPV) and total surface area (S t ) were derived. H 2 physisorption measurements were performed at 77 K and a pressure value of 1 bar. From these data the adsorption capacities of sorbent materials were determined. Apparently the microporous adsorbents, e.g activated carbons, display appreciable sorption capacities. Based on their micropore volume, carbon-based sorbents have the largest adsorption capacity for H 2 , over 230 cm 3 (STP)/g, at the previous conditions. By increasing the micropore volume (∼ 1 cm 3 /g) of sorbents and optimizing the adsorption conditions it is expected to obtain an adsorption capacity of ∼ 560 cm 3 (STP)/g, close to targets set for mobile applications. (authors)

In situ STM imaging of the structures of pentacene molecules adsorbed on Au(111).

Science.gov (United States)

Pong, Ifan; Yau, Shuehlin; Huang, Peng-Yi; Chen, Ming-Chou; Hu, Tarng-Shiang; Yang, Yawchia; Lee, Yuh-Lang

2009-09-01

In situ scanning tunneling microscope (STM) was used to examine the spatial structures of pentacene molecules adsorbed onto a Au(111) single-crystal electrode from a benzene dosing solution containing 16-400 microM pentacene. Molecular-resolution STM imaging conducted in 0.1 M HClO(4) revealed highly ordered pentacene structures of ( radical31 x radical31)R8.9 degrees , (3 x 10), ( radical31 x 10), and ( radical7 x 2 radical7)R19.1 degrees adsorbed on the reconstructed Au(111) electrode dosed with different pentacene solutions. These pentacene structures and the reconstructed Au(111) substrate were stable between 0.2 and 0.8 V [vs reversible hydrogen electrode, RHE]. Increasing the potential to E > 0.8 V lifted the reconstructed Au(111) surface and disrupted the ordered pentacene adlattices simultaneously. Ordered pentacene structures could be restored by applying potentials negative enough to reinforce the reconstructed Au(111). At potentials negative of 0.2 V, the adsorption of protons became increasingly important to displace adsorbed pentacene admolecules. Although the reconstructed Au(111) structure was not essential to produce ordered pentacene adlayers, it seemed to help the adsorption of pentacene molecules in a long-range ordered pattern. At room temperature (25 degrees C), approximately 100 pentacene molecules seen in STM images could rotate and align themselves to a neighboring domain in 10 s, suggesting that pentacene admolecules could be mobile on Au(111) under the STM imaging conditions of -150 mV in bias voltage and 1 nA in feedback current.

Fiscal 1975 Sunshine Project research report. General research on hydrogen energy subsystems and their peripheral technologies (Research on hydrogen gas turbine); 1975 nendo suiso riyo subsystem no sogoteki kento to shuhen gijutsu ni kansuru kenkyu seika hokokusho. Suiso gas turbine ni kansuru kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1976-03-31

This research aims at establishment of the meaning of using hydrogen as gas turbine fuel in the hydrogen energy system and various conditions for hydrogen gas turbines, and approaches to the feasibility study and R and D of hydrogen gas turbines in the future. In fiscal 1975, researches were made on (1) feasibility study on hydrogen-oxygen gas turbine, (2) establishment of various conditions for technical, social and economic realization of hydrogen gas turbines in the total energy system, and (3) study on technical troubles to be solved for realization of hydrogen gas turbines. For the above researches, study was made on hydrogen combustion based on the hydrogen combustion test result of gas mixture including hydrogen, and on the feasibility of aphodid cycle. In addition, study on the applicability of hydrogen-oxygen gas turbines, comparative study on hydrogen-oxygen gas turbine, MHD power generation and fuel cell, and the future prospect of hydrogen gas turbines for ships were made to place this hydrogen gas turbine. (NEDO)

Structure and redox properties of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20 adsorbed on a silica surface. M05 computational study

Directory of Open Access Journals (Sweden)

Liudmyla K. Sviatenko

2016-03-01

Full Text Available The cluster approximation was applied at M05/tzvp level to model adsorption of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20 on (001 surface of α-quartz. Structures of the obtained CL-20–silica complexes confirm close to parallel orientation of the nitrocompound toward surface. The binding between CL-20 and silica surface was analyzed and bond energies were calculated applying the atoms in molecules (AIM method. Hydrogen bonds were found to significantly contribute in adsorption energy. An attaching of electron leads to significant deviation from coplanarity in complexes and to strengthening of hydrogen bonding. Redox properties of adsorbed CL-20 were compared with those of gas-phase and hydrated species by calculation of electron affinity, ionization potential, reduction Gibbs free energy, oxidation Gibbs free energy, reduction and oxidation potentials. It was shown that adsorbed CL-20 has lower ability to redox transformation as compared with hydrated one.

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).

Hydrogen storage on carbon materials: state of the art

International Nuclear Information System (INIS)

D Cazorla Amoros; D Lozano Castello; F Suarez Garcia; M Jorda Beneytoa; A Linares Solano

2005-01-01

materials which can be obtained with high purity and in large amounts. In addition, the different preparation methods, the diversity of precursors, and the possibility of subsequent modifications, make possible the availability of activated carbons with different textures (pore volume and pore size distributions). As it bas been reported, activated carbons are effective materials for methane storage [4], which make them, in principle, also very interesting for hydrogen storage. Moreover, both experimental [5] and theoretical [6] studies have shown that hydrogen storage capacity is better in slit pores (typical porous shape in activated carbons) than in cylindrical ones (nano-tubes). Thus, the second objective of this work is to present experimental results corresponding to hydrogen storage capacity of porous materials, in order to analyze the effect of both specific surface area and pore size distribution on hydrogen storage capacity. To illustrate this effect, results obtained in our laboratory for a wide variety of activated carbon materials (fibres, powders, monoliths) will be presented. A literature survey shows that hydrogen storage in activated carbons have been studied by adsorption: (i) at cryogenic temperatures, at low or high pressure [5, 7-13] (uptake values of 4 wt% have been reported [8] ) or (ii) room temperature and high pressures [5, 6, 12-16] (uptake values around 2 wt% have been reported [14]). Different authors have reported that the total amount of hydrogen uptake per gram of adsorbent is correlated, more or less, with the porosity development of the material (surface area or micro-pore volume) [7-10, 13-15]. At low temperature (77 K) the hydrogen is not only adsorbed in the micropores but also into meso-pores, provided that sufficiently high pressures are used [7, 9]. In addition to the amount of porosity, hydrogen adsorption capacity seems to be also affected by the pore size distribution of the sample, as shown in our previous work [14] and also by

Hydrogen storage on carbon materials: state of the art

International Nuclear Information System (INIS)

Cazorla-Amoros, D.; Lozano-Castello, D.; Suarez-Garcia, F.; Jorda-Beneyto, M.; Linares-Solano, A.

2005-01-01

materials which can be obtained with high purity and in large amounts. In addition, the different preparation methods, the diversity of precursors, and the possibility of subsequent modifications, make possible the availability of activated carbons with different textures (pore volume and pore size distributions). As it has been reported, activated carbons are effective materials for methane storage [4], which make them, in principle, also very interesting for hydrogen storage. Moreover, both experimental [5] and theoretical [6] studies have shown that hydrogen storage capacity is better in slit pores (typical porous shape in activated carbons) than in cylindrical ones (nano-tubes). Thus, the second objective of this work is to present experimental results corresponding to hydrogen storage capacity of porous materials, in order to analyze the effect of both specific surface area and pore size distribution on hydrogen storage capacity. To illustrate this effect, results obtained in our laboratory for a wide variety of activated carbon materials (fibres, powders, monoliths) will be presented. A literature survey shows that hydrogen storage in activated carbons have been studied by adsorption: (i) at cryogenic temperatures, at low or high pressure [5,7-13] (uptake values of 4 wt% have been reported [8]), or (ii) room temperature and high pressures [5,6,12- 6] (uptake values around 2 wt% have been reported [14]). Different authors have reported that the total amount of hydrogen uptake per gram of adsorbent is correlated, more or less, with the porosity development of the material (surface area or micropore volume) [7-10,13-15]. At low temperature (77 K) the hydrogen is not only adsorbed in the micropores but also into meso-pores, provided that sufficiently high pressures are used [7,9]. In addition to the amount of porosity, hydrogen adsorption capacity seems to be also affected by the pore size distribution of the sample, as shown in our previous work [14] and also by Strobel

Formic Acid as a Hydrogen Energy Carrier

KAUST Repository

Eppinger, Jö rg; Huang, Kuo-Wei

2016-01-01

The high volumetric capacity (S3 g H-2/L) and its low toxicity and flammability under ambient conditions make formic acid a promising hydrogen energy carrier. Particularly, in the past decade, significant advancements have been achieved in catalyst development for selective hydrogen generation from formic acid. This Perspective highlights the advantages of this approach with discussions focused on potential applications in the transportation sector together with analysis of technical requirements, limitations, and costs.

Formic Acid as a Hydrogen Energy Carrier

KAUST Repository

Eppinger, Jorg

2016-12-15

The high volumetric capacity (S3 g H-2/L) and its low toxicity and flammability under ambient conditions make formic acid a promising hydrogen energy carrier. Particularly, in the past decade, significant advancements have been achieved in catalyst development for selective hydrogen generation from formic acid. This Perspective highlights the advantages of this approach with discussions focused on potential applications in the transportation sector together with analysis of technical requirements, limitations, and costs.

Improved estimates of separation distances to prevent unacceptable damage to nuclear power plant structures from hydrogen detonation for gaseous hydrogen storage. Technical report

International Nuclear Information System (INIS)

1994-05-01

This report provides new estimates of separation distances for nuclear power plant gaseous hydrogen storage facilities. Unacceptable damage to plant structures from hydrogen detonations will be prevented by having hydrogen storage facilities meet separation distance criteria recommended in this report. The revised standoff distances are based on improved calculations on hydrogen gas cloud detonations and structural analysis of reinforced concrete structures. Also, the results presented in this study do not depend upon equivalencing a hydrogen detonation to an equivalent TNT detonation. The static and stagnation pressures, wave velocity, and the shock wave impulse delivered to wall surfaces were computed for several different size hydrogen explosions. Separation distance equations were developed and were used to compute the minimum separation distance for six different wall cases and for seven detonating volumes (from 1.59 to 79.67 lbm of hydrogen). These improved calculation results were compared to previous calculations. The ratio between the separation distance predicted in this report versus that predicted for hydrogen detonation in previous calculations varies from 0 to approximately 4. Thus, the separation distances results from the previous calculations can be either overconservative or unconservative depending upon the set of hydrogen detonation parameters that are used. Consequently, it is concluded that the hydrogen-to-TNT detonation equivalency utilized in previous calculations should no longer be used

Advanced honeycomb adsorbent and scaling-up technique for thermal swing adsorptive VOC concentrator; Samarusuingu kyuchakushiki VOC noshuku sochiyo hanikamu kyuchakutai no kaizen to sukeru up gijutsu ni tsuite

Energy Technology Data Exchange (ETDEWEB)

Mitsuma, Y.; Kuwa, T.; Yamauchi, H. [Seibu Giken Co. Ltd., Fukuoka (Japan); Hirose, T. [Kumamoto Univ. (Japan). Faculty of Engineering

1998-03-01

On the honeycomb type adsorptive concentrator, a manufacturing method of the honeycomb adsorbent rotor, retention of mechanical strength corresponding with a large-scale processing and minimization of air leakage resulting in performance deterioration were technically examined. Honeycomb structure was formed from an alumina-silica fiber paper, and high silica-content zeolite was deposited in the fiber void of the matrix. The adsorbent rotor using sepiolite as an inorganic adhesive for honeycomb fabrication showed fracture strength of from 1.6 to 3.2 times the conventional adsorbent rotor. Two types of differently shaped fluorinated rubber seal were developed for the adsorbent rotor. Amount of air leakage from the seal between each zone as well as to outside was sufficiently small. A large-scale VOC concentrator with the 3950 mm diameter and 450 mm length was manufactured with the adsorbent rotor and seal structure in accordance with the aforementioned method. Results of the real machine operation showed same concentration performance at those of the small-scale experiment. 10 refs., 15 figs., 2 tabs.

Maximizing Light Utilization Efficiency and Hydrogen Production in Microalgal Cultures

Energy Technology Data Exchange (ETDEWEB)

Melis, Anastasios [Univ. of California, Berkeley, CA (United States)

2014-12-31

The project addressed the following technical barrier from the Biological Hydrogen Production section of the Fuel Cell Technologies Program Multi-Year Research, Development and Demonstration Plan: Low Sunlight Utilization Efficiency in Photobiological Hydrogen Production is due to a Large Photosystem Chlorophyll Antenna Size in Photosynthetic Microorganisms (Barrier AN: Light Utilization Efficiency).

Hydrogen Production Cost Estimate Using Biomass Gasification: Independent Review

Energy Technology Data Exchange (ETDEWEB)

Ruth, M.

2011-10-01

This independent review is the conclusion arrived at from data collection, document reviews, interviews and deliberation from December 2010 through April 2011 and the technical potential of Hydrogen Production Cost Estimate Using Biomass Gasification. The Panel reviewed the current H2A case (Version 2.12, Case 01D) for hydrogen production via biomass gasification and identified four principal components of hydrogen levelized cost: CapEx; feedstock costs; project financing structure; efficiency/hydrogen yield. The panel reexamined the assumptions around these components and arrived at new estimates and approaches that better reflect the current technology and business environments.

Hydrogen-powered lawn mower: 14 years of operation

International Nuclear Information System (INIS)

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

2006-01-01

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

Nano-sized Adsorbate Structure Formation in Anisotropic Multilayer System

Science.gov (United States)

Kharchenko, Vasyl O.; Kharchenko, Dmitrii O.; Yanovsky, Vladimir V.

2017-05-01

In this article, we study dynamics of adsorbate island formation in a model plasma-condensate system numerically. We derive the generalized reaction-diffusion model for adsorptive multilayer system by taking into account anisotropy in transfer of adatoms between neighbor layers induced by electric field. It will be found that with an increase in the electric field strength, a structural transformation from nano-holes inside adsorbate matrix toward separated nano-sized adsorbate islands on a substrate is realized. Dynamics of adsorbate island sizes and corresponding distributions are analyzed in detail. This study provides an insight into details of self-organization of adatoms into nano-sized adsorbate islands in anisotropic multilayer plasma-condensate systems.

Flow boundary conditions for chain-end adsorbing polymer blends.

Science.gov (United States)

Zhou, Xin; Andrienko, Denis; Delle Site, Luigi; Kremer, Kurt

2005-09-08

Using the phenol-terminated polycarbonate blend as an example, we demonstrate that the hydrodynamic boundary conditions for a flow of an adsorbing polymer melt are extremely sensitive to the structure of the epitaxial layer. Under shear, the adsorbed parts (chain ends) of the polymer melt move along the equipotential lines of the surface potential whereas the adsorbed additives serve as the surface defects. In response to the increase of the number of the adsorbed additives the surface layer becomes thinner and solidifies. This results in a gradual transition from the slip to the no-slip boundary condition for the melt flow, with a nonmonotonic dependence of the slip length on the surface concentration of the adsorbed ends.

Membrane adsorber for endotoxin removal

Directory of Open Access Journals (Sweden)

Karina Moita de Almeida

Full Text Available ABSTRACT The surface of flat-sheet nylon membranes was modified using bisoxirane as the spacer and polyvinyl alcohol as the coating polymer. The amino acid histidine was explored as a ligand for endotoxins, aiming at its application for endotoxin removal from aqueous solutions. Characterization of the membrane adsorber, analysis of the depyrogenation procedures and the evaluation of endotoxin removal efficiency in static mode are discussed. Ligand density of the membranes was around 7 mg/g dry membrane, allowing removal of up to 65% of the endotoxins. The performance of the membrane adsorber prepared using nylon coated with polyvinyl alcohol and containing histidine as the ligand proved superior to other membrane adsorbers reported in the literature. The lack of endotoxin adsorption on nylon membranes without histidine confirmed that endotoxin removal was due to the presence of the ligand at the membrane surface. Modified membranes were highly stable, exhibiting a lifespan of approximately thirty months.

Hydrogen adsorption on activated carbon nanotubes with an atomic-sized vanadium catalyst investigated by electrical resistance measurements

International Nuclear Information System (INIS)

Im, Ji Sun; Yun, Jumi; Kang, Seok Chang; Lee, Sung Kyu; Lee, Young-Seak

2012-01-01

Activated multi-walled carbon nanotubes were prepared with appended vanadium as a hydrogen storage medium. The pore structure was significantly improved by an activation process that was studied using Raman spectroscopy, field emission transmission electron microscopy and pore analysis techniques. X-ray photoelectron spectroscopy and X-ray diffraction results reveal that the vanadium catalyst was introduced into the carbon nanotubes in controlled proportions, forming V 8 C 7 . The improved pore structure functioned as a path through the carbon nanotubes that encouraged hydrogen molecule adsorption, and the introduced vanadium catalyst led to high levels of hydrogen storage through the dissociation of hydrogen molecules via the spill-over phenomenon. The hydrogen storage behavior was investigated by electrical resistance measurements for the hydrogen adsorbed on a prepared sample. The proposed mechanism of hydrogen storage suggests that the vanadium catalyst increases not only the amount of hydrogen that is stored but also the speed at which it is stored. A hydrogen storage capacity of 2.26 wt.% was achieved with the activation effects and the vanadium catalyst at 30 °C and 10 MPa.

Metal-loaded SBA-16-like silica – Correlation between basicity and affinity towards hydrogen

International Nuclear Information System (INIS)

Ouargli-Saker, R.; Bouazizi, N.; Boukoussa, B.; Barrimo, Diana; Paola-Nunes-Beltrao, Ana; Azzouz, A.

2017-01-01

Highlights: • Metal dispersion in longitudinal channels confers adsorption properties to SBA-16. • Both Fe"0-NPs and Cu"0-NPs seem to be responsible of this effect. • Effect of the repetitive adsorption-desorption cycles on CO_2 and water sorption. • Hydrogen storage on the functionalized materials. - Abstract: Nanoparticles of Cu"o (CuNPs) and Fe"o (FeNPs) were dispersed in SBA-16-like silica, resulting metal-loaded materials (Cu-SBA-16 and Fe-SBA-16) with improved affinity towards hydrogen. Electron microscopy and X-ray diffraction showed that MNP dispersion occurs mainly inside SBA-16 channels. MNP incorporation was found to confer affinity to the silica surface, since higher CO_2 retention capacity (CRC) was registered Cu/SBA-16 and Fe/SBA-16. This was accompanied by a significant improvement of the affinity towards hydrogen, as supported by hydrogen adsorption tests. This was explained in terms of strong hydrogen interaction with MNP and lattice oxygen atoms. The results reported herein open new prospects for SBA-16 as potential adsorbents for hydrogen storage.

Metal-loaded SBA-16-like silica – Correlation between basicity and affinity towards hydrogen

Energy Technology Data Exchange (ETDEWEB)

Ouargli-Saker, R. [Department of Materials Engineering, University of Science and Technology, El M’naouer, BP 1505, Oran (Algeria); Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada); Bouazizi, N. [Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada); Unité de recherche, Electrochimie, Matériaux et Environnement, Faculté des Sciences de Gabès, Université de Gabès, Cité Erriadh, 6072 Gabès (Tunisia); Boukoussa, B. [Department of Materials Engineering, University of Science and Technology, El M’naouer, BP 1505, Oran (Algeria); Lqamb, Laboratório de Química Analítica Ambiental, Faculdade de Química, Pontifícia Universidade Católica do Rio Grande do Sul (Brazil); Barrimo, Diana [Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada); Paola-Nunes-Beltrao, Ana [Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada); Laboratory of Materials Chemistry L.C.M, University of Oran1 Ahmed Ben Bella, BP 1524, El-Mnaouer, 31000 Oran (Algeria); Azzouz, A., E-mail: azzouz.a@uqam.ca [Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada)

2017-07-31

Highlights: • Metal dispersion in longitudinal channels confers adsorption properties to SBA-16. • Both Fe{sup 0}-NPs and Cu{sup 0}-NPs seem to be responsible of this effect. • Effect of the repetitive adsorption-desorption cycles on CO{sub 2} and water sorption. • Hydrogen storage on the functionalized materials. - Abstract: Nanoparticles of Cu{sup o} (CuNPs) and Fe{sup o} (FeNPs) were dispersed in SBA-16-like silica, resulting metal-loaded materials (Cu-SBA-16 and Fe-SBA-16) with improved affinity towards hydrogen. Electron microscopy and X-ray diffraction showed that MNP dispersion occurs mainly inside SBA-16 channels. MNP incorporation was found to confer affinity to the silica surface, since higher CO{sub 2} retention capacity (CRC) was registered Cu/SBA-16 and Fe/SBA-16. This was accompanied by a significant improvement of the affinity towards hydrogen, as supported by hydrogen adsorption tests. This was explained in terms of strong hydrogen interaction with MNP and lattice oxygen atoms. The results reported herein open new prospects for SBA-16 as potential adsorbents for hydrogen storage.

Steam reforming of technical bioethanol for hydrogen production

DEFF Research Database (Denmark)

Rass-Hansen, Jeppe; Johansson, Roger; Møller, Martin Hulbek

2008-01-01

Essentially all work on ethanol steam reforming so far has been carried out using simulated bioethanol feedstocks, which means pure ethanol mixed with water. However, technical bioethanol consists of a lot of different components including sugars, which cannot be easily vaporized and steam reformed....... For ethanol steam reforming to be of practical interest, it is important to avoid the energy-intensive purification steps to fuel grade ethanol. Therefore, it is imperative to analyze how technical bioethanol, with the relevant impurities, reacts during the steam reforming process. We show how three different...... bioethanol will result in a faster catalyst deactivation than what is observed when using pure ethanol-water mixtures because of contaminants remaining in the feed. However, the initial activity of the catalysts are not affected by this, hence it is important to not only focus on catalyst activity but rather...

Combination of rice husk and coconut shell activated adsorbent to adsorb Pb(II) ionic metal and it’s analysis using solid-phase spectrophotometry (sps)

Science.gov (United States)

Rohmah, D. N.; Saputro, S.; Masykuri, M.; Mahardiani, L.

2018-03-01

The purpose of this research was to know the effect and determine the mass comparation which most effective combination between rice husk and coconut shell activated adsorbent to adsorb Pb (II) ion using SPS method. This research used experimental method. Technique to collecting this datas of this research is carried out by several stages, which are: (1) carbonization of rice husk and coconut shell adsorbent using muffle furnace at a temperature of 350°C for an hour; (2) activation of the rice husk and coconut shell adsorbent using NaOH 1N and ZnCl2 15% activator; (3) contacting the adsorbent of rice husk and coconut shell activated adsorbent with liquid waste simulation of Pb(II) using variation comparison of rice husk and coconut shell, 1:0; 0:1; 1:1; 2:1; 1:2; (4) analysis of Pb(II) using Solid-Phase Spectrophotometry (SPS); (5) characterization of combination rice husk and coconut shell activated adsorbent using FTIR. The result of this research show that the combined effect of combination rice husk and coconut shell activated adsorbent can increase the ability of the adsorbent to absorb Pb(II) ion then the optimum adsorbent mass ratio required for absorbing 20 mL of Pb(II) ion with a concentration of 49.99 µg/L is a ratio of 2:1 with the absorption level of 97,06%Solid-Phase Spectrophotometry (SPS) is an effective method in the level of µg/L, be marked with the Limit of Detection (LOD) of 0.03 µg/L.

Proceedings of the 2000 U.S. DOE Hydrogen Program Review

Energy Technology Data Exchange (ETDEWEB)

NREL

2000-11-01

The 2000 US Department of Energy (DOE) Hydrogen Program Review was sponsored by the Office of Power Delivery Systems, Office of Power Technologies, US Department of Energy. The proceedings from this meeting serve as an important technology reference for the DOE Hydrogen Program. This document contains technical progress reports on research and technology validation projects funded by the DOE Hydrogen Program in Fiscal Year 2000. The growth of fuel cell technology will provide a basis for the establishment of the hydrogen option into both transportation and electricity supply markets.

Proceedings of the 1999 U.S. DOE Hydrogen Program Review

Energy Technology Data Exchange (ETDEWEB)

NREL

2000-08-28

The Proceedings of the 1999 US Department of Energy (DOE) Hydrogen Program Review serve as an important technology reference for the DOE Hydrogen Program. This document contains technical progress reports on 60 research and technology validation projects funded by the DOE Hydrogen Program in Fiscal Year 1999, in support of its mission to make hydrogen a cost-effective energy carrier for utility, building, and transportation applications. Each year, the Program conducts a rigorous review of its portfolio of projects, utilizing teams of experts to provide vital feedback on the progress of research.

The use of hydrogen for vehicles

International Nuclear Information System (INIS)

Peschka, W.

1992-01-01

While the currently utilized or other feasible hydrocarbon fuels release about the same amount of CO 2 during combustion per amount of heat produced, hydrogen represents the only practical, technically feasible, carbon free fuel. The state of the art technology of liquid hydrogen represents a suitable base for large scale demonstration projects now. Additional aims of more intense R and D work relate to internal mixture formation and improved engine roadability as well as utility vehicle application including trucks and buses. With respect to fuel costs there will be an increased demand in developing hydrogen production processes free from CO 2 emissions even from fossil energy sources such as crude oil or natural gas. (orig.) [de

Theoretical analysis of hydrogen spillover mechanism on carbon nanotubes

Directory of Open Access Journals (Sweden)

Rosalba eJuarez Mosqueda

2015-02-01

Full Text Available The spillover mechanism of molecular hydrogen on carbon nanotubes in the presence of catalytically active platinum clusters was critically and systematically investigated by using density-functional theory. Our simulation model includes a Pt4 cluster for the catalyst nanoparticle and curved and planar circumcoronene for two exemplary single-walled carbon nanotubes (CNT, the (10,10 CNT and one of large diameter, respectively. Our results show that the H2 molecule dissociates spontaneously on the Pt4 cluster. However, the dissociated H atoms have to overcome a barrier of more than 2 eV to migrate from the catalyst to the CNT, even if the Pt4 cluster is at full saturation with six adsorbed and dissociated hydrogen molecules. Previous investigations have shown that the mobility of hydrogen atoms on the CNT surface is hindered by a barrier. We find that instead the Pt4 catalyst may move along the outer surface of the CNT with activation energy of only 0.16 eV, and that this effect offers the possibility of full hydrogenation of the CNT. Thus, although we have not found a low-energy pathway to spillover onto the CNT, we suggest, based on our calculations and calculated data reported in the literature, that in the hydrogen-spillover process the observed saturation of the CNT at hydrogen background pressure occurs through mobile Pt nanoclusters, which move on the substrate more easily than the substrate-chemisorbed hydrogens, and deposit or reattach hydrogens in the process. Initial hydrogenation of the carbon substrate, however, is thermodynamically unfavoured, suggesting that defects should play a significant role.

Removal of adsorbent particles od copper ions by Jet flotation

International Nuclear Information System (INIS)

Santander, M.; Tapia, P.; Pavez, O.; Valderrama, L.; Guzman, D.

2009-01-01

The present study shows the results obtained on the removal of copper ions from synthetic effluents by using the adsorbent particles flotation technique (APF) in a Jet flotation cell (Jameson type). In a typical experimental run, a mineral with high quartz content was used as adsorbent particles in the adsorption and flotation experiments, to determine optimal pH conditions, adsorbent particles concentration; flotation reagents dosage and air/effluent flow ratio for applying in the Jet cell to maximize the efficiency of copper ions adsorptions and the removal of particles adsorbents containing the absorbed copper ions. The results indicate the at pH>7 and at adsorbent particles concentration of 2 kg.m - 3, 99% of copper ions is adsorbed and, when the air/effluent flow ratio applied in the Jet cell is 0,2, 98% of absorbent particles containing the adsorbed copper ions is removed. (Author) 39 refs.

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

International Nuclear Information System (INIS)

Liao Mingliang

2012-01-01

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

Oxygen from Hydrogen Peroxide. A Safe Molar Volume-Molar Mass Experiment.

Science.gov (United States)

Bedenbaugh, John H.; And Others

1988-01-01

Describes a molar volume-molar mass experiment for use in general chemistry laboratories. Gives background technical information, procedures for the titration of aqueous hydrogen peroxide with standard potassium permanganate and catalytic decomposition of hydrogen peroxide to produce oxygen, and a discussion of the results obtained in three…

Solar driven technologies for hydrogen production

Directory of Open Access Journals (Sweden)

Medojević Milovan M.

2016-01-01

Full Text Available Bearing in mind that the production of hydrogen based on renewable energy sources, without doubt, is an important aspect to be taken into account when considering the potential of this gas, where as particularly interesting technologies stand out the ones which are based on the use of solar energy to produce hydrogen. The goal of this paper provides basic technological trajectories, with the possibility of combining, for solar driven hydrogen production, such as: electrochemical, photochemical and thermochemical process. Furthermore, the paper presents an analysis of those technologies from a technical as well as economic point of view. In addition, the paper aims to draw attention to the fact that the generation of hydrogen using renewable energy should be imposed as a logical and proper way to store solar energy in the form of chemical energy.

Microwave plasma induced surface modification of diamond-like carbon films

Science.gov (United States)

Rao Polaki, Shyamala; Kumar, Niranjan; Gopala Krishna, Nanda; Madapu, Kishore; Kamruddin, Mohamed; Dash, Sitaram; Tyagi, Ashok Kumar

2017-12-01

Tailoring the surface of diamond-like carbon (DLC) film is technically relevant for altering the physical and chemical properties, desirable for useful applications. A physically smooth and sp3 dominated DLC film with tetrahedral coordination was prepared by plasma-enhanced chemical vapor deposition technique. The surface of the DLC film was exposed to hydrogen, oxygen and nitrogen plasma for physical and chemical modifications. The surface modification was based on the concept of adsorption-desorption of plasma species and surface entities of films. Energetic chemical species of microwave plasma are adsorbed, leading to desorbtion of the surface carbon atoms due to energy and momentum exchange. The interaction of such reactive species with DLC films enhanced the roughness, surface defects and dangling bonds of carbon atoms. Adsorbed hydrogen, oxygen and nitrogen formed a covalent network while saturating the dangling carbon bonds around the tetrahedral sp3 valency. The modified surface chemical affinity depends upon the charge carriers and electron covalency of the adsorbed atoms. The contact angle of chemically reconstructed surface increases when a water droplet interacts either through hydrogen or van dear Waals bonding. These weak interactions influenced the wetting property of the DLC surface to a great extent.

Properties and selection criteria for adsorbents

International Nuclear Information System (INIS)

Wirth, H.

1976-01-01

The paper gives a survey of the most important industrial adsorbents and of their suitability for different purposes. With special consideration of activated carbon, the properties and characteristic data are discussed which are used for assessing adsorbents. These, among other things, are as follows: specific surface area, pore size distribution, adsorption isotherms, hydrophobic properties, catalytic properties, chemical resistance, heat resistance, particle size and hardness. (orig.) [de

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.

On the Hydrogen Cyanide Removal from Air using Metal loaded Polyacrylonitrile Composite Nanofibers

Directory of Open Access Journals (Sweden)

Bozorgmehr Maddah

2017-12-01

Full Text Available The present study highlights the potential application of electrospun polyacrylonitrile/metal salts (CrO3, CuCO3 nanofibrous filter media impregnated with TEDA (PAN-M-TEDA as an efficient adsorbent for hydrogen cyanide removal from air. The PAN-M-TEDA nanofiber before and after adsorption of hydrogen cyanide was characterized with Fourier transform infrared microscopy (FTIR. The concentration of hydrogen cyanide passes through the samples was determined by measuring the absorption of hydrogen cyanide in the solution containing indicator via UV-Vis spectroscopy. The results showed that introducing metal salts to PAN nanofiber along with their impregnation with TEDA, significantly increases the adsorption capacity of nanofibrous filter media. The adsorption of hydrogen cyanide over PAN-M-TEDA nanofiber was also studied as a function of thickness, PAN concentration and TEDA concentration by response surface methodology (RSM based on central composite design. It is found that the highest adsorption capacity can be achieved at thickness 28.42 mm, PAN concentration 16.19 w/v % and TEDA concentration 14.80 w/v %.

Mixed-matrix membrane adsorbers for protein separation

NARCIS (Netherlands)

Avramescu, M.E.; Borneman, Z.; Wessling, M.

2003-01-01

The separation of two similarly sized proteins, bovine serum albumin (BSA) and bovine hemoglobin (Hb) was carried out using a new type of ion-exchange mixed-matrix adsorber membranes. The adsorber membranes were prepared by incorporation of various types of Lewatit ion-exchange resins into an

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)

Hydrogen-water deuterium exchange over metal oxide promoted nickel catalysts

Energy Technology Data Exchange (ETDEWEB)

Sagert, N H; Shaw-Wood, P E; Pouteau, R M.L. [Atomic Energy of Canada Ltd., Pinawa, Manitoba. Whiteshell Nuclear Research Establishment

1975-11-01

Specific rates have been measured for hydrogen-water deuterium isotope exchange over unsupported nickel promoted with about 20% of various metal oxides. The oxides used were Cr/sub 2/O/sub 3/, MoO/sub 2/, MnO, WO/sub 2/-WO/sub 3/, and UO/sub 2/. Nickel surface areas, which are required to measure the specific rates, were determined by hydrogen chemisorption. Specific rates were measured as a function of temperature in the range 353 to 573 K and as a function of the partial pressure of hydrogen and water over a 10-fold range of partial pressure. The molybdenum and tungsten oxides gave the highest specific rates, and manganese and uranium oxides the lowest. Chromium oxide was intermediate, although it gave the highest rate per gram of catalyst. The orders with respect to hydrogen and water over molybdenum oxide and tungsten oxide promoted nickel were consistent with a mechanism in which nickel oxide is formed from the reaction of water with the catalyst, and then is reduced by hydrogen. Over manganese and uranium oxide promoted catalysts, these orders are consistent with a mechanism in which adsorbed water exchanges with chemisorbed hydrogen atoms on the nickel surface. Chromium oxide is intermediate. It was noted that those oxides which favored the nickel oxide route had electronic work functions closest to those of metallic nickel and nickel oxide.

Gaseous hydrogen embrittlement of an API X80 ferrito-pearlitic steel; Fragilisation par l'hydrogene gazeux d'un acier ferrito-perlitique de grade API X80

Energy Technology Data Exchange (ETDEWEB)

Moro, I.

2009-11-15

This work deals with hydrogen embrittlement, at ambient temperature and under a high pressure gaseous way, of an API X80 high elasticity limit steel used for pipelines construction, and with the understanding of the associated physical mechanisms of the embrittlement. At first has been described a bibliographic study of the adsorption, absorption, diffusion, transport and trapping of hydrogen in the steels. Then has been carried out an experimental and numerical study concerning the implantation in the finite element code CASTEM3M of a hydrogen diffusion model coupled to mechanical fields. The hydrogen influence on the mechanical characteristics of the X80 steel, of a ferrito-pearlitic microstructure has been studied with tensile tests under 300 bar of hydrogen and at ambient temperature. The sensitivity of the X80 steel to hydrogen embrittlement has been analyzed by tensile tests at different deformation velocities and under different hydrogen pressures on axisymmetrical notched test specimens. These studies show that the effect of the hydrogen embrittlement vary effectively with the experimental conditions. Moreover, correlated with the results of the tests simulations, it has been shown too that in these experimental conditions and for that steel, the hydrogen embrittlement is induced by three different hydrogen populations: the hydrogen trapped at the ferrite/perlite interfaces, the hydrogen adsorbed on surface and the reticular hydrogen trapped in the material volume. At last, the tensile and rupture tests of specimens, during which atmosphere changes have been carried out, have shown a strong reversibility of the hydrogen embrittlement, associated with its initiation as soon as hydrogen is introduced in the atmosphere. At last, three hydrogen mechanisms, depending of the different hydrogen populations are presented and discussed. (O.M.)

The influence of surface roughness on the hydrogen permeation of type API 5L-X52 steel

International Nuclear Information System (INIS)

Requiz, R.; Vera, N.; Camero, S.

2004-01-01

The influence of surface roughness on the corrosion and hydrogen permeation behaviour was evaluated on a type API 5L-52 steel in dearated 0.1M NaSO 4 at pH=2. Potentiodynamic polarization curves were employed to determine the electrochemical behaviour of the steel, while the Devanathan-Stachurski technique was used to estimate the hydrogen permeation rate. Additionally, the surface roughness profiles were obtained in order to correlate the changes in the hydrogen perkeation rate with different metal surface finishings. The obtained results clearly demonstrate that when the roughness parameters have larger values, the cathodic current of hydrogen evolution increases while the hydrogen entry rate decreases. This effect can be attributed to the microstructural defects induced at the steel surface, such as dislocations, which increase the catalytic activity of the atomic hydrogen favouring its recombination. Also, these defects could allow the atomic hydrogen to remain adsorbed on the steel surface. Both effects could hinder the hydrogen diffusion into the metal since the possibility for this atom of becoming absorbed has been reduced. (Author) 16 refs

Thermodynamics of gas adsorption on solid adsorbents

International Nuclear Information System (INIS)

Budrugeac, P.

1979-01-01

Starting with several hypotheses about the adsorbtion system and the adsorption phenomenon, a thermodynamic treatment of gas adsorption on solid adsorbants is presented. The relationships for determination from isotherms and calorimetric data of thermodynamic functions are derived. The problem of the phase changes in adsorbed layer is discussed. (author)

Study of 2D MXene Cr{sub 2}C material for hydrogen storage using density functional theory

Energy Technology Data Exchange (ETDEWEB)

Yadav, A. [Department of Physics and National Centre for Nanosciences & Nanotechnology, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai 400 098 (India); Dashora, Alpa, E-mail: dashoralpa@gmail.com [UM-DAE Centre for Excellence in Basic Sciences, Vidyanagari, Santacruz (E), Mumbai 400 098 (India); Patel, N. [Department of Physics and National Centre for Nanosciences & Nanotechnology, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai 400 098 (India); Dipartimento di Fisica, Università degli Studi di Trento, I-38123 Povo, Trento (Italy); Miotello, A. [Dipartimento di Fisica, Università degli Studi di Trento, I-38123 Povo, Trento (Italy); Press, M.; Kothari, D.C. [Department of Physics and National Centre for Nanosciences & Nanotechnology, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai 400 098 (India)

2016-12-15

Highlights: • First-principles studies showed that Cr{sub 2}C MXene can store 7.6 wt.% of H{sub 2}. • 6.4 wt.% H{sub 2} can be reversibly stored at ambient temperature. • Charge transfer between H and Cr is responsible for the reversible H{sub 2} adsorption. • H-atom on hollow site between three Cr atoms is the most stable site. - Abstract: Hydrogen storage capacity of 2D MXene Cr{sub 2}C has been studied using density functional theory. Possibility to adsorb H{sub 2} molecule on Cr{sub 2}C surface at various sites has been studied. Among the studied adsorption sites on Cr{sub 2}C surface, few sites were found suitable for chemisorption and physisorption of H{sub 2} molecules. Few of the studied sites are also found to be suitable for Kubas-type interaction, which is useful for reversible hydrogen storage at ambient conditions. Electronic structure calculations and charge transfer analysis have been done to understand the interactions of adsorbed hydrogen with the Cr{sub 2}C layer. It has been found that the total hydrogen storage capacity of Cr{sub 2}C is 7.6 wt.% in which 1.2 wt.% of H is due to the chemisorption, 3.2 wt.% is bonded with Kubas-interaction and remaining 3.2 wt.% is bonded through weak electrostatic interactions (with binding energy of 0.26 eV/H{sub 2} and charge transfer of 0.09 e{sup −} to H atom from Cr atom). Thus the reversible hydrogen storage capacity at ambient conditions (controlled by hydrogen bonded with energies ranging from 0.1 to 0.4 eV/H{sub 2}, in the present case through Kubas and weak electrostatic interactions) is 6.4 wt.% which is greater than the 2017 DoE recommended target value of 5.5 wt.%.

Development of a National Center for Hydrogen Technology. A Summary Report of Activities Completed at the National Center for Hydrogen Technology - Year 6

Energy Technology Data Exchange (ETDEWEB)

Holmes, Michael [Univ. of North Dakota, Grand Forks, ND (United States)

2012-08-01

The Energy & Environmental Research Center (EERC) located in Grand Forks, North Dakota, has operated the National Center for Hydrogen Technology (NCHT) since 2005 under a Cooperative Agreement with the U.S. Department of Energy (DOE) National Energy Technology Laboratory (NETL). The EERC has a long history of hydrogen generation and utilization from fossil fuels, and under the NCHT Program, the EERC has accelerated its research on hydrogen generation and utilization topics. Since the NCHT's inception, the EERC has received more than $65 million in funding for hydrogen-related projects ($24 million for projects in the NCHT, which includes federal and corporate partner development funds) involving more than 85 partners (27 with the NCHT). The NCHT Program's nine activities span a broad range of technologies that align well with the Advanced Fuels Program goals and, specifically, those described in the Hydrogen from Coal Program research, development, and demonstration (RD&D) plan that refers to realistic testing of technologies at adequate scale, process intensification, and contaminant control. A number of projects have been completed that range from technical feasibility of several hydrogen generation and utilization technologies to public and technical education and outreach tools. Projects under the NCHT have produced hydrogen from natural gas, coal, liquid hydrocarbons, and biomass. The hydrogen or syngas generated by these processes has also been purified in many of these instances or burned directly for power generation. Also, several activities are still undergoing research, development, demonstration, and commercialization at the NCHT. This report provides a summary overview of the projects completed in Year 6 of the NCHT. Individual activity reports are referenced as a source of detailed information on each activity.

Electrochemistry and biosensing reactivity of heme proteins adsorbed on the structure-tailored mesoporous Nb2O5 matrix

International Nuclear Information System (INIS)

Xu Xin; Tian Bozhi; Zhang Song; Kong Jilie; Zhao Dongyuan; Liu Baohong

2004-01-01

The highly ordered mesoporous niobium oxides fabricated by self-adjusted synthesis have been used as immobilization matrices of heme proteins including Cytochrome c (Cyt C) and horseradish peroxidase (HRP) for their large surface areas, narrow pore size distributions and good biocompatibility. The assembling process was investigated by cyclic voltammetry, amperometry and potential step chronoamperometry in details. Niobium oxide matrices with different structural features were templated with the surfactants and the selectivity of these hosts to specific protein characteristics was determined. It was observed that proteins could be readily assembled onto the mesoporous films with detectable retention of bioactivity. The Nb 2 O 5 matrix with a tailored pore size and counterpoised surface charge to that of hemes allowed for a maximum adsorption capacity of biomolecules. The adsorbed redox molecules exhibited direct electrochemical behavior and gave a pair of well-defined quasi-reversible cyclic voltammetric peaks, indicating that the mesoporous niobium oxide matrix could effectively promote the direct electron transfer between the protein redox site adsorbed and the electrode surface. The midpoint redox potentials of adsorbed Cyt-c and HRP were 14 and -122 mV versus SCE, respectively. Furthermore, the immobilized HRP onto Nb 2 O 5 derived electrode presented good bioactivity and thus was fabricated as an amperometric biosensor for the response of hydrogen peroxide in the range from 0.1 μM to 0.1 mM

Perspectives of a hydrogen-based energy economy

Energy Technology Data Exchange (ETDEWEB)

Czakainski, M.

1989-06-01

In view of the depletion of fossil fuel resources, and of their environmental effects, research is going on worldwide to find alternative energy sources. Hydrogen has been raising high hopes in recent years and has made a career as a candidate substitute for fossil fuels. There is hydropower or solar energy for electrolytic production of hydrogen which by a catalytic, environmentally friendly process is re-convertable into water. Experimental facilities exist for testing the hydrogen technology, but it is too early now to give any prognosis on the data of technical maturity and commercial feasibility of the technology. The et team invited some experts for a discussion on the pros and cons of hydrogen technology, and on questions such as siting of installations, infrastructure, and economics. (orig./UA).

On the mechanism of hydrogen evolution catalysis by proteins: A case study with bovine serum albumin

Energy Technology Data Exchange (ETDEWEB)

Doneux, Th., E-mail: tdoneux@ulb.ac.b [Chimie Analytique et Chimie des Interfaces, Faculte des Sciences, Universite Libre de Bruxelles, Boulevard du Triomphe 2, CP 255, B-1050 Bruxelles (Belgium); Institute of Biophysics, Academy of Sciences of the Czech Republic, Kralovopolska 135, 612 65 Brno (Czech Republic); Ostatna, Veronika [Institute of Biophysics, Academy of Sciences of the Czech Republic, Kralovopolska 135, 612 65 Brno (Czech Republic); Palecek, Emil, E-mail: palecek@ibp.cz [Institute of Biophysics, Academy of Sciences of the Czech Republic, Kralovopolska 135, 612 65 Brno (Czech Republic)

2011-10-30

Highlights: > Proteins catalyse hydrogen evolution at mercury electrodes. > The adsorbed protein is the mediator and the buffer proton donor is the substrate. > The characteristics of the catalytic peak are connected to the protein properties. - Abstract: The catalysis of the hydrogen evolution reaction (HER) by proteins has been known for decades but was only recently found to be useful for electroanalytical purposes. The mechanism of the catalytic process is investigated at hanging mercury drop electrodes by cyclic voltammetry, with bovine serum albumin as a model system. It is shown that the catalyst is the protein in the adsorbed state. The influence of various parameters such as the accumulation time, scan rate or buffer concentration is studied, and interpreted in the framework of a surface catalytic mechanism. Under the experimental conditions used in the work, a 'total catalysis' phenomenon takes place, the rate of HER being limited by the diffusion of the proton donor. The adequacy of the existing models is discussed, leading to a call for the development of more refined models.

Importance of international standards on hydrogen technologies

International Nuclear Information System (INIS)

Bose, T.K.; Gingras, S.

2001-01-01

This presentation provided some basic information regarding standards and the International Organization for Standardization (ISO). It also explained the importance of standardization activities, particularly ISO/TC 197 which applies to hydrogen technologies. Standards are established by consensus. They define the minimum requirements that will ensure that products and services are reliable and effective. Standards contribute to the elimination of technical barriers to trade (TBT). The harmonization of standards around the world is desirable in a free trade environment. The influence of the TBT on international standardization was discussed with particular reference to the objectives of ISO/TC 197 hydrogen technologies. One of the priorities for ISO/TC 197 is a hydrogen fuel infrastructure which includes refuelling stations, fuelling connectors, and storage technologies for gaseous and liquid hydrogen. Other priorities include an agreement between the International Electrotechnical Commission (IEC) and the ISO, in particular the IEC/TC 105 and ISO/TC 197 for the development of fuel cell standards. The international standards that have been published thus far include ISO 13984:1999 for liquid hydrogen, land vehicle fuelling system interface, and ISO 14687:1999 for hydrogen fuel product specification. Standards are currently under development for: liquid hydrogen; airport hydrogen fuelling facilities; gaseous hydrogen blends; basic considerations for the safety of hydrogen systems; gaseous hydrogen and hydrogen blends; and gaseous hydrogen for land vehicle filling connectors. It was concluded that the widespread use of hydrogen is dependent on international standardization

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.

H/CNG pathway to hydrogen

International Nuclear Information System (INIS)

Bugyra, W.J.; Martin, D.R.

2004-01-01

'Full text:' The addition of hydrogen to natural gas to produce a 'premium' fuel offers an ideal bridge to the hydrogen and fuel cell era. This pathway provides many of the expected benefits of hydrogen and fuel cells, reduces cost and risk, and facilitates the transition to hydrogen incrementally through existing infrastructure, technologies and channels. The H/CNG pathway is evaluated qualitatively and quantitatively in the context of: barriers to introducing hydrogen infrastructure and how they can be addressed; potential benefits (emissions, energy security) and drawbacks (range, technical compatibility) of H/CNG blended fuels; economics; and, comparative analysis to the use of ethanol in gasoline. Leveraging the NGV industry eases the transition to fuel cells by taking advantage of existing infrastructure, technologies, skills, codes and standards, and provides for incremental change that may be more acceptable to consumers, regulators and incumbent technology providers. The greatest benefits can be achieved through a two-track pathway. One would utilize small amounts of hydrogen in existing NGVs and installed power systems - much as ethanol is added to gasoline. The second introduce products designed specifically to operate on higher levels of H/CNG, like buses, in concentrations where the greatest emission benefits can be achieved. (author)

2010 Hydrogen and Fuel Cell Global Commercialization & Development Update

Energy Technology Data Exchange (ETDEWEB)

none,

2010-11-01

This report offers examples of real-world applications and technical progress of hydrogen and fuel cell technologies, including policies adopted by countries to increase technology development and commercialization.

Performance of adsorbent-embedded heat exchangers using binder-coating method

KAUST Repository

Li, Ang; Thu, Kyaw; Ismail, Azhar Bin; Shahzad, Muhammad Wakil; Ng, Kim Choon

2016-01-01

The performance of adsorption (AD) chillers or desalination cycles is dictated by the rates of heat and mass transfer of adsorbate in adsorbent-packed beds. Conventional granular-adsorbent, packed in fin-tube heat exchangers, suffered from poor heat

Photoemission spectroscopy of surfaces and adsorbates

International Nuclear Information System (INIS)

Chiang, T.C.; Kaindl, G.; Himpsel, F.J.; Eastman, D.E.

1982-01-01

Core level photoelectron spectroscopy is providing new information concerning the electronic properties of adsorbates and surfaces. Several examples will be discussed, including studies of adsorbed rare gas submonolayers and multilayers as well as clean metal surfaces. For rare gas multilayers adsorbed on metal surfaces, the photoelectrons and Auger electrons exhibit well-resolved increases in kinetic energy with decreasing distance between the excited atom and the substrate, allowing a direct labeling of the layers. These energy shifts are mainly due to the substrate screening effects, and can be described well by an image-charge model. For a Kr/Xe bilayer system prepared by first coating a Pd substrate with a monolayer of Kr and then overcoating with a layer of Xe, a thermally activated layer inversion process is observed when the temperature is raised, with Xe coming in direct contact with the substrate. For rare gas submonolayers adsorbed on the Al(111) surface, coverage-dependent core level shift and work function measurements provide information about the adatom spatial distributions, polarizabilities, and dipole moments for the ground and excited states. We have also studied the 2p core level shifts for a clean Al(001) surface relative to the bulk. The shifts have a large contribution from the initial-state effects

Selectivity of β-Sitosterol Imprinted Polymers as Adsorbent

Science.gov (United States)

Fauziah, St.; Hariani Soekamto, Nunuk; Taba, Paulina; Bachri Amran, Muh

2018-03-01

Molecularly Imprinted Polymers (MIPs) are smart materials that have been used as adsorbents in separation processes of compounds because they have a memorial effect to a certain compound. In this research, MIP synthesized was used as adsorbent for β-sitosterol. The objective of the research was to know the selectivity of MIP in adsorbing β-sitosterol. The concentrations of β-sitosterol after adsorption and desorption were analyzed by a UV-Vis spectrophotometer and the selectivity test was analyzed by HPLC. Result showed that the MIP had high adsorption ability ( qe ). The recovery of β-sitosterol from MIP for the adsorption-desorption process was 68.48%. The MIP was very selective to β-sitosterol compared to cholesterol because it can adsorb β-sitosterol as many as 100%, whereas the adsorption of cholesterol was only 30.27 %.

Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene.

Science.gov (United States)

Iyikanat, Fadil; Kandemir, Ali; Bacaksiz, Cihan; Sahin, Hasan

2017-01-01

Using first-principles density functional theory calculations, we investigate adsorption properties and the diffusion mechanism of a Li atom on hydrogenated single-layer α- and β-silicene on a Ag(111) surface. It is found that a Li atom binds strongly on the surfaces of both α- and β-silicene, and it forms an ionic bond through the transfer of charge from the adsorbed atom to the surface. The binding energies of a Li atom on these surfaces are very similar. However, the diffusion barrier of a Li atom on H-α-Si is much higher than that on H-β-Si. The energy surface calculations show that a Li atom does not prefer to bind in the vicinity of the hydrogenated upper-Si atoms. Strong interaction between Li atoms and hydrogenated silicene phases and low diffusion barriers show that α- and β-silicene are promising platforms for Li-storage applications.

Gold recovery from low concentrations using nanoporous silica adsorbent

Science.gov (United States)

Aledresse, Adil

The development of high capacity adsorbents with uniform porosity denoted 5%MP-HMS (5% Mercaptopropyl-Hexagonal Mesoporous Structure) to extract gold from noncyanide solutions is presented. The preliminary studies from laboratory simulated noncyanide gold solutions show that the adsorption capacities of these materials are among the highest reported. The high adsorption saturation level of these materials, up to 1.9 mmol/g (37% of the adsorbent weight) from gold chloride solutions (potassium tetrachloroaurate) and 2.9 mmol/g (57% of the adsorbent weight) from gold bromide solutions (potassium tetrabromoaurate) at pH = 2, is a noteworthy feature of these materials. This gold loading from [AuC4]- and [AuBr4 ]- solutions corresponds to a relative Au:S molar ratio of 2.5:1 and 3.8:1, respectively. These rates are significantly higher than the usual 1:1 (Au:S) ratio expected for metal ion binding with the material. The additional gold ions loaded have been spontaneously reduced to metallic gold in the mesoporous material. Experimental studies indicated high maximum adsorptions of gold as high as 99.9% recovery. Another promising attribute of these materials is their favourable adsorption kinetics. The MP-HMS reaches equilibrium (saturation) in less than 1 minute of exposure in gold bromide and less than 10 minutes in gold chloride. The MP-HMS materials adsorption is significantly improved by agitation and the adsorption capacity of Au (III) ions increases with the decrease in pH. The recovery of adsorbed gold and the regeneration of spent adsorbent were investigated for MP-HMS adsorbent. The regenerated adsorbent (MP-HMS) maintained its adsorption capacity even after repeated use and all the gold was successfully recovered from the spent adsorbent. For the fist time, a promising adsorbent system has been found that is capable of effectively concentrating gold thiosulphate complexes, whereas conventional carbon-inpulp (CIP) and carbon-in-leach (CIL) systems fail. The

A study of hydrogen cracking in metals by the acoustoelasticity method

Science.gov (United States)

Alekseeva, E. L.; Belyaev, A. K.; Pasmanik, L. A.; Polyanskiy, A. M.; Polyanskiy, V. A.; Tretiakov, D. A.; Yakovlev, Yu. A.

2017-12-01

The results of the study of acoustic anisotropy distribution in samples with preliminary hydrogenation during the standard HIC test are presented in the article. It is shown experimentally that there is a monotonic relationship between the hydrogenation time and the average acoustic anisotropy. This result allows us to apply the method of acoustoelasticity to the technical diagnostics of structures, parts and units of machines for hydrogen embrittlement and hydrogen cracking. In contrast, the results of direct measurements of the hydrogen concentration in samples depend on many factors, such as the holding time of the sample after extraction from the electrolyte. This uncertainty does not allow one to establish clear correlations between the measured concentrations of hydrogen and the presence of hydrogen-induced microcracks.

Hydrogen radiolytic release from zeolite 4A/water systems under γ irradiations

International Nuclear Information System (INIS)

Frances, Laëtitia; Grivet, Manuel; Renault, Jean-Philippe; Groetz, Jean-Emmanuel; Ducret, Didier

2015-01-01

Although the radiolysis of bulk water is well known, some questions remain in the case of adsorbed or confined water, especially in the case of zeolites 4A, which are used to store tritiated water. An enhancement of the production of hydrogen is described in the literature for higher porous structures, but the phenomenon stays unexplained. We have studied the radiolysis of zeolites 4A containing different quantities of water under 137 Cs gamma radiation. We focused on the influence of the water loading ratio. The enhancement of hydrogen production compared with bulk water radiolysis has been attributed to the energy transfer from the zeolite to the water, and to the influence of the water structure organization in the zeolite. Both were observed separately, with a maximum efficiency for energy transfer at a loading ratio of about 13%, and a maximum impact of structuration of water at a loading ratio of about 4%. - Highlights: • We irradiated samples of zeolites 4A which contained different quantities of water. • We measured the quantity of hydrogen released. • Hydrogen radiolytic yields, present two maxima, for two water loading ratios. • Hydrogen release is enhanced by the strength of the zeolite/water interaction. • Hydrogen release is enhanced by the quantity of water interacting with the zeolite

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.

Processes of hydrogen production, coupled with nuclear reactors: Economic perspectives

International Nuclear Information System (INIS)

Werkoff, Francois; Avril, Sophie; Mansilla, Christine; Sigurvinsson, Jon

2006-01-01

Hydrogen production, using nuclear power is considered from a technic-economic (TE) point of view. Three different processes are examined: Alkaline electrolysis, High-temperature steam electrolysis (HTE) and the thermochemical Sulphur-Iodine (S/I) cycle. The three processes differ, in the sense that the first one is operational and both last ones are still at demonstration stages. For them, it is at present only possible to identify key points and limits of competitiveness. The cost of producing hydrogen by alkaline electrolysis is analysed. Three major contributions to the production costs are examined: the electricity consumption, the operation and maintenance expenditures and the depreciation capital expenditures. A technic-economic evaluation of hydrogen production by HTE coupled to a high-temperature reactor (HTR) is presented. Key points appear to be the electrolyser and the high temperature heat exchangers. The S/I thermochemical cycle is based on the decomposition and the re-composition of H 2 SO 4 and HI acids. The energy consumption and the recovery of iodine are key points of the S/I cycle. With the hypothesis that the hydrogen energy will progressively replace the fossil fuels, we give a first estimate of the numbers of nuclear reactors (EPR or HTR) that would be needed for a massive nuclear hydrogen production. (authors)

Hydrogen storage in nanostructured materials

Energy Technology Data Exchange (ETDEWEB)

Assfour, Bassem

2011-02-28

total hydrogen uptake at 77 K and 100 bar amounts to 7.8 wt.% comparable to the total uptake reported of MOF-177 (10 wt.%), which is a benchmark material for high pressure and low temperature H{sub 2} adsorption. Covalent organic frameworks are new class of nanoporous materials constructed solely from light elements (C, H, B, and O). The number of adsorption sites as well as the strength of adsorption are essential prerequisites for hydrogen storage in porous materials because they determine the storage capacity and the operational conditions. Currently, to the best of our knowledge, no experimental data are available on the position of preferential H{sub 2} adsorption sites in COFs. Molecular dynamics simulations were applied to determine the position of preferential hydrogen sites in COFs. Our results demonstrate that H{sub 2} molecule adsorbed at low temperature in seven different adsorption sites in COFs. The calculated adsorption energies are about 3 kJ/mol, comparable to that found for MOF systems. The gravimetric uptake for COF-108 reached 4.17 wt.% at room temperature and 100 bar, which makes this class of materials promising for hydrogen storage applications. (orig.)

Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage