Bambus[6]uril as a novel macrocyclic receptor for the nitrate anion.

PubMed

Toman, Petr; Makrlík, Emanuel; Vanura, Petr

2013-01-01

By using quantum mechanical DFT calculations, the most probable structure of the bambus[6]uril x NO3(-) anionic complex species was derived. In this complex having C3 symmetry, the nitrate anion NO3(-), included in the macrocyclic cavity, is bound by twelve weak hydrogen bonds between methine hydrogen atoms on the convex face of glycoluril units and the considered NO3(-) ion.

New, efficient and viable system for ethanol fuel utilization on combined electric/internal combustion engine vehicles

NASA Astrophysics Data System (ADS)

Sato, André G.; Silva, Gabriel C. D.; Paganin, Valdecir A.; Biancolli, Ana L. G.; Ticianelli, Edson A.

2015-10-01

Although ethanol can be directly employed as fuel on polymer-electrolyte fuel cells (PEMFC), its low oxidation kinetics in the anode and the crossover to the cathode lead to a substantial reduction of energy conversion efficiency. However, when fuel cell driven vehicles are considered, the system may include an on board steam reformer for converting ethanol into hydrogen, but the hydrogen produced contains carbon monoxide, which limits applications in PEMFCs. Here, we present a system consisting of an ethanol dehydrogenation catalytic reactor for producing hydrogen, which is supplied to a PEMFC to generate electricity for electric motors. A liquid by-product effluent from the reactor can be used as fuel for an integrated internal combustion engine, or catalytically recycled to extract more hydrogen molecules. Power densities comparable to those of a PEMFC operating with pure hydrogen are attained by using the hydrogen rich stream produced by the ethanol dehydrogenation reactor.

Stress corrosion cracking of titanium alloys

NASA Technical Reports Server (NTRS)

Statler, G. R.; Spretnak, J. W.; Beck, F. H.; Fontana, M. G.

1974-01-01

The effect of hydrogen on the properties of metals, including titanium and its alloys, was investigated. The basic theories of stress corrosion of titanium alloys are reviewed along with the literature concerned with the effect of absorbed hydrogen on the mechanical properties of metals. Finally, the basic modes of metal fracture and their importance to this study is considered. The experimental work was designed to determine the effects of hydrogen concentration on the critical strain at which plastic instability along pure shear directions occurs. The materials used were titanium alloys Ti-8Al-lMo-lV and Ti-5Al-2.5Sn.

Alternate aircraft fuels prospects and operational implications

NASA Technical Reports Server (NTRS)

Witcofski, R. D.

1977-01-01

The paper discusses NASA studies of the potentials of coal-derived aviation fuels, specifically synthetic aviation kerosene, liquid methane, and liquid hydrogen. Topics include areas of fuel production, air terminal requirements for aircraft fueling (for liquid hydrogen only), and the performance characteristics of aircraft designed to utilize alternate fuels. Energy requirements associated with the production of each of the three selected fuels are determined, and fuel prices are estimated. Subsonic commercial air transports using liquid hydrogen fuel have been analyzed, and their performance and the performance of aircraft which use commercial aviation kerosene are compared. Environmental and safety issues are considered.

Hydrogen Plasma Processing of Iron Ore

NASA Astrophysics Data System (ADS)

Sabat, Kali Charan; Murphy, Anthony B.

2017-06-01

Iron is currently produced by carbothermic reduction of oxide ores. This is a multiple-stage process that requires large-scale equipment and high capital investment, and produces large amounts of CO2. An alternative to carbothermic reduction is reduction using a hydrogen plasma, which comprises vibrationally excited molecular, atomic, and ionic states of hydrogen, all of which can reduce iron oxides, even at low temperatures. Besides the thermodynamic and kinetic advantages of a hydrogen plasma, the byproduct of the reaction is water, which does not pose any environmental problems. A review of the theory and practice of iron ore reduction using a hydrogen plasma is presented. The thermodynamic and kinetic aspects are considered, with molecular, atomic and ionic hydrogen considered separately. The importance of vibrationally excited hydrogen molecules in overcoming the activation energy barriers, and in transferring energy to the iron oxide, is emphasized. Both thermal and nonthermal plasmas are considered. The thermophysical properties of hydrogen and argon-hydrogen plasmas are discussed, and their influence on the constriction and flow in the of arc plasmas is considered. The published R&D on hydrogen plasma reduction of iron oxide is reviewed, with both the reduction of molten iron ore and in-flight reduction of iron ore particles being considered. Finally, the technical and economic feasibility of the process are discussed. It is shown that hydrogen plasma processing requires less energy than carbothermic reduction, mainly because pelletization, sintering, and cokemaking are not required. Moreover, the formation of the greenhouse gas CO2 as a byproduct is avoided. In-flight reduction has the potential for a throughput at least equivalent to the blast furnace process. It is concluded that hydrogen plasma reduction of iron ore is a potentially attractive alternative to standard methods.

Study of liquid oxygen/liquid hydrogen auxiliary propulsion systems for the space tug

NASA Technical Reports Server (NTRS)

Nichols, J. F.

1975-01-01

Design concepts are considered that permit use of a liquid-liquid (as opposed to gas-gas) oxygen/hydrogen thrust chamber for attitude control and auxiliary propulsion thrusters on the space tug. The best of the auxiliary propulsion system concepts are defined and their principal characteristics, including cost as well as operational capabilities, are established. Design requirements for each of the major components of the systems, including thrusters, are developed at the conceptual level. The competitive concepts considered use both dedicated (separate tanks) and integrated (propellant from main propulsion tanks) propellant supply. The integrated concept is selected as best for the space tug after comparative evaluation against both cryogenic and storable propellant dedicated systems. A preliminary design of the selected system is established and recommendations for supporting research and technology to further the concept are presented.

Chemical hydrogen storage material property guidelines for automotive applications

NASA Astrophysics Data System (ADS)

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 (<20 atm), moderate temperature operation (<200 °C), system gravimetric capacities (>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.

Guide for Hydrogen Hazards Analysis on Components and Systems

NASA Technical Reports Server (NTRS)

Beeson, Harold; Woods, Stephen

2003-01-01

The physical and combustion properties of hydrogen give rise to hazards that must be considered when designing and operating a hydrogen system. One of the major concerns in the use of hydrogen is that of fire or detonation because of hydrogen's wide flammability range, low ignition energy, and flame speed. Other concerns include the contact and interaction of hydrogen with materials, such as the hydrogen embrittlement of materials and the formation of hydrogen hydrides. The low temperature of liquid and slush hydrogen bring other concerns related to material compatibility and pressure control; this is especially important when dissimilar, adjoining materials are involved. The potential hazards arising from these properties and design features necessitate a proper hydrogen hazards analysis before introducing a material, component, or system into hydrogen service. The objective of this guide is to describe the NASA Johnson Space Center White Sands Test Facility hydrogen hazards analysis method that should be performed before hydrogen is used in components and/or systems. The method is consistent with standard practices for analyzing hazards. It is recommended that this analysis be made before implementing a hydrogen component qualification procedure. A hydrogen hazards analysis is a useful tool for hydrogen-system designers, system and safety engineers, and facility managers. A hydrogen hazards analysis can identify problem areas before hydrogen is introduced into a system-preventing damage to hardware, delay or loss of mission or objective, and possible injury or loss of life.

DFT Study on the Complexation of Bambus[6]uril with the Perchlorate and Tetrafluoroborate Anions.

PubMed

Toman, Petr; Makrlík, Emanuel; Vaňura, Petr

2011-12-01

By using quantum mechanical DFT calculations, the most probable structures of the bambus[6]uril.ClO4- and bambus[6]uril.BF4- anionic complex species were derived. In these two complexes having C3 symmetry, each of the considered anions, included in the macrocyclic cavity, is bound by 12 weak hydrogen bonds between methine hydrogen atoms on the convex face of glycoluril units and the respective anion.

Understanding the mechanism of DNA deactivation in ion therapy of cancer cells: hydrogen peroxide action*

NASA Astrophysics Data System (ADS)

Piatnytskyi, Dmytro V.; Zdorevskyi, Oleksiy O.; Perepelytsya, Sergiy M.; Volkov, Sergey N.

2015-11-01

Changes in the medium of biological cells under ion beam irradiation has been considered as a possible cause of cell function disruption in the living body. The interaction of hydrogen peroxide, a long-lived molecular product of water radiolysis, with active sites of DNA macromolecule was studied, and the formation of stable DNA-peroxide complexes was considered. The phosphate groups of the macromolecule backbone were picked out among the atomic groups of DNA double helix as a probable target for interaction with hydrogen peroxide molecules. Complexes consisting of combinations including: the DNA phosphate group, H2O2 and H2O molecules, and Na+ counterion, were considered. The counterions have been taken into consideration insofar as under the natural conditions they neutralise DNA sugar-phosphate backbone. The energy of the complexes have been determined by considering the electrostatic and the Van der Waals interactions within the framework of atom-atom potential functions. As a result, the stability of various configurations of molecular complexes was estimated. It was shown that DNA phosphate groups and counterions can form stable complexes with hydrogen peroxide molecules, which are as stable as the complexes with water molecules. It has been demonstrated that the formation of stable complexes of H2O2-Na+-PO4- may be detected experimentally by observing specific vibrations in the low-frequency Raman spectra. The interaction of H2O2 molecule with phosphate group of the double helix backbone can disrupt DNA biological function and induce the deactivation of the cell genetic apparatus. Thus, the production of hydrogen peroxide molecules in the nucleus of living cells can be considered as an additional mechanism by which high-energy ion beams destroy tumour cells during ion beam therapy. Contribution to the Topical Issue "COST Action Nano-IBCT: Nano-scale Processes Behind Ion-Beam Cancer Therapy", edited by Andrey Solov'yov, Nigel Mason, Gustavo García, Eugene Surdutovich.

Liquid hydrogen production and economics for NASA Kennedy Space Center

NASA Astrophysics Data System (ADS)

Block, D. L.

1985-12-01

Detailed economic analyses for the production of liquid hydrogen used to power the Space Shuttle are presented. The hydrogen production and energy needs of the NASA Kennedy Space Center are reviewed, and steam reformation, polygeneration, and electrolysis for liquid hydrogen production are examined on an equal economic basis. The use of photovoltaics as an electrolysis power source is considered. The 1985 present worth is calculated based on life cycle costs over a 21-year period beginning with full operation in 1990. Two different sets of escalation, inflation, and discount rates are used, with revenue credit being given for energy or other products of the hydrogen production process. The results show that the economic analyses are very dependent on the escalation rates used. The least net present value is found for steam reformation of natural gas, while the best net present value is found for the electrolysis process which includes the phasing of photovoltaics.

A study of industrial hydrogen and syngas supply systems

NASA Technical Reports Server (NTRS)

Amos, W. J.; Solomon, J.; Eliezer, K. F.

1979-01-01

The potential and incentives required for supplying hydrogen and syngas feedstocks to the U.S. chemical industry from coal gasification systems were evaluated. Future hydrogen and syngas demand for chemical manufacture was estimated by geographic area and projected economics for hydrogen and syngas manufacture was estimated with geographic area of manufacture and plant size as parameters. Natural gas, oil and coal feedstocks were considered. Problem areas presently affecting the commercial feasibility of coal gasification discussed include the impact of potential process improvements, factors involved in financing coal gasification plants, regulatory barriers affecting coal gasification, coal mining/transportation, air quality regulations, and competitive feedstock pricing barriers. The potential for making coal gasification the least costly H2 and syngas supply option. Options to stimulate coal gasification system development are discussed.

Advantages of cryopumping with liquid hydrogen instead of helium refrigerators

NASA Technical Reports Server (NTRS)

Anderson, J. W.; Tueller, J. E.

1972-01-01

Open loop hydrogen vaporizers and helium refrigerators are compared for operational complexity, installation and operating cost, and safety requirements. Data from two vacuum chambers using helium refrigerators are used to provide comparative data. In general, the use of hydrogen is attractive in the larger systems, even when extra safety precautions are taken. Emotional resistance to the use of hydrogen because of safety requirements is considered great. However, the experience gained in the handling of large quantities of cryogenics, particularly hydrogen and liquefied natural gases, should be considered in the design of open loop hydrogen cooling systems.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ali T-Raissi

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 ammoniamore » 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.« less

Hydrogen Research for Spaceport and Space-Based Applications: Fuel Cell Projects

NASA Technical Reports Server (NTRS)

Anderson, Tim; Balaban, Canan

2008-01-01

The activities presented are a broad based approach to advancing key hydrogen related technologies in areas such as fuel cells, hydrogen production, and distributed sensors for hydrogen-leak detection, laser instrumentation for hydrogen-leak detection, and cryogenic transport and storage. Presented are the results from research projects, education and outreach activities, system and trade studies. The work will aid in advancing the state-of-the-art for several critical technologies related to the implementation of a hydrogen infrastructure. Activities conducted are relevant to a number of propulsion and power systems for terrestrial, aeronautics and aerospace applications. Fuel cell research focused on proton exchange membranes (PEM), solid oxide fuel cells (SOFC). Specific technologies included aircraft fuel cell reformers, new and improved electrodes, electrolytes, interconnect, and seals, modeling of fuel cells including CFD coupled with impedance spectroscopy. Research was conducted on new materials and designs for fuel cells, along with using embedded sensors with power management electronics to improve the power density delivered by fuel cells. Fuel cell applications considered were in-space operations, aviation, and ground-based fuel cells such as; powering auxiliary power units (APUs) in aircraft; high power density, long duration power supplies for interplanetary missions (space science probes and planetary rovers); regenerative capabilities for high altitude aircraft; and power supplies for reusable launch vehicles.

A comparison of hydrogen, methanol and gasoline as fuels for fuel cell vehicles: implications for vehicle design and infrastructure development

NASA Astrophysics Data System (ADS)

Ogden, Joan M.; Steinbugler, Margaret M.; Kreutz, Thomas G.

All fuel cells currently being developed for near term use in electric vehicles require hydrogen as a fuel. Hydrogen can be stored directly or produced onboard the vehicle by reforming methanol, or hydrocarbon fuels derived from crude oil (e.g., gasoline, diesel, or middle distillates). The vehicle design is simpler with direct hydrogen storage, but requires developing a more complex refueling infrastructure. In this paper, we present modeling results comparing three leading options for fuel storage onboard fuel cell vehicles: (a) compressed gas hydrogen storage, (b) onboard steam reforming of methanol, (c) onboard partial oxidation (POX) of hydrocarbon fuels derived from crude oil. We have developed a fuel cell vehicle model, including detailed models of onboard fuel processors. This allows us to compare the vehicle performance, fuel economy, weight, and cost for various vehicle parameters, fuel storage choices and driving cycles. The infrastructure requirements are also compared for gaseous hydrogen, methanol and gasoline, including the added costs of fuel production, storage, distribution and refueling stations. The delivered fuel cost, total lifecycle cost of transportation, and capital cost of infrastructure development are estimated for each alternative. Considering both vehicle and infrastructure issues, possible fuel strategies leading to the commercialization of fuel cell vehicles are discussed.

Energy storage considerations for a robotic Mars surface sampler

NASA Technical Reports Server (NTRS)

O'Donnell, P. M.; Cataldo, R. L.; Gonzalez-Sanabria, O. D.

1988-01-01

The characteristics of various energy storage systems (including Ni-Cd, Ni-H2, Ag-Zn, Li-XS, Na-S, PbSO4, and regenerative fuel cell systems) considered for a robotic Mars surface sampler are reviewed. It is concluded that the bipolar nickel-hydrogen battery and the sodium-sulfur battery are both viable candidates as storage systems for the rover's Radioisotope Thermoelectric Generator. For a photovoltaic storage system, the regenerative fuel cell and the bipolar nickel-hydrogen battery are the primary candidates.

Chemical hydrogen storage material property guidelines for automotive applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Semelsberger, Troy; 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 (<20 atm), moderate temperature operation (<200 C), system gravimetric capacities (>0.05 kg H2/kg system), and system volumetric capacities (>0.05 kg H2/L system). 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 storagemore » 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 propertiesdand most important, their implications on system mass, system volume and system performance.« less

Modeling and 3D-simulation of hydrogen production via methanol steam reforming in copper-coated channels of a mini reformer

NASA Astrophysics Data System (ADS)

Sari, Ataallah; Sabziani, Javad

2017-06-01

Modeling and CFD simulation of a three-dimensional microreactor includes thirteen structured parallel channels is performed to study the hydrogen production via methanol steam reforming reaction over a Cu/ZnO/Al2O3 catalyst. The well-known Langmuir-Hinshelwood macro kinetic rate expressions reported by Peppley and coworkers [49] are considered to model the methanol steam reforming reactions. The effects of inlet steam to methanol ratio, pre-heat temperature, channels geometry and size, and the level of external heat flux on the hydrogen quality and quantity (i.e., hydrogen flow rate and CO concentration) are investigated. Moreover, the possibility of reducing the CO concentration by passing the reactor effluent through a water gas shift channel placed in series with the methanol reformer is studied. Afterwards, the simulation results are compared with the experimental data reported in the literature considering two different approaches of mixture-averaged and Maxwell-Stefan formulations to evaluate the diffusive flux of mass. The results indicate that the predictions of the Maxwell-Stefan model is in better agreement with experimental data than mixture-averaged one, especially at the lower feed flow rates.

Heterogeneous semiconductor photocatalysts for hydrogen production from aqueous solutions of electron donors

NASA Astrophysics Data System (ADS)

Kozlova, E. A.; Parmon, V. N.

2017-09-01

Current views on heterogeneous photocatalysts for visible- and near-UV-light-driven production of molecular hydrogen from water and aqueous solutions of inorganic and organic electron donors are analyzed and summarized. Main types of such photocatalysts and methods for their preparation are considered. Particular attention is paid to semiconductor photocatalysts based on sulfides that are known to be sensitive to visible light. The known methods for increasing the quantum efficiency of the target process are discussed, including design of the structure, composition and texture of semiconductor photocatalysts and variation of the medium pH and the substrate and photocatalyst concentrations. Some important aspects of the activation and deactivation of sulfide photocatalysts and the evolution of their properties in the course of hydrogen production processes in the presence of various types of electron donors are analyzed. The bibliography includes 276 references.

Analytical study of laser-supported combustion waves in hydrogen

NASA Technical Reports Server (NTRS)

Kemp, N. H.; Root, R. G.

1978-01-01

Laser supported combustion (LSC) waves are an important ingredient in the fluid mechanics of CW laser propulsion using a hydrogen propellant and 10.6 micron lasers. Therefore, a computer model has been constructed to solve the one-dimensional energy equation with constant pressure and area. Physical processes considered include convection, conduction, absorption of laser energy, radiation energy loss, and accurate properties of equilibrium hydrogen. Calculations for 1, 3, 10 and 30 atm were made for intensities of 10 to the 4th to 10 to the 6th W/sq cm, which gave temperature profiles, wave speed, etc. To pursue the propulsion application, a second computer model was developed to describe the acceleration of the gas emerging from the LSC wave into a variable-pressure, converging streamtube, still including all the above-mentioned physical processes. The results show very high temperatures in LSC waves which absorb all the laser energy, and high radiative losses.

Adsorption and dissociation of molecular hydrogen on orthorhombic β-Mo 2C and cubic δ-MoC (001) surfaces

DOE PAGES

Posada-Pérez, Sergio; Viñes, Francesc; Valero, Rosendo; ...

2016-10-03

Molybdenum carbides are increasingly used in heterogeneously catalyzed hydrogenation reactions, which imply the adsorption and dissociation of molecular hydrogen. In this paper, a systematic density functional theory based study, including or excluding dispersion terms, concerning the interaction and stability of H 2 with cubic δ-MoC(001) and orthorhombic β-Mo 2C(001) surfaces, is presented. In the latter case the two possible C or Mo terminations are considered. In addition, different situations for the H covered surfaces are examined. Computational results including dispersive forces predict an essentially spontaneous dissociation of H 2 on β-Mo 2C(001) independently of the surface termination, whereas on δ-MoC(001)more » molecular hydrogen dissociation implies a small but noticeable energy barrier. Furthermore, the ab initio thermodynamics formalism has been used to compare the stability of different H coverages. In conclusion, core level binding energies and vibrational frequencies are presented with the aim to assist the interpretation of yet unavailable data from X-ray photoelectron and infrared spectroscopies.« less

Liquid rocket engine axial-flow turbopumps

NASA Technical Reports Server (NTRS)

Scheer, D. D.; Huppert, M. C.; Viteri, F.; Farquhar, J.; Keller, R. B., Jr. (Editor)

1978-01-01

The axial pump is considered in terms of the total turbopump assembly. Stage hydrodynamic design, pump rotor assembly, pump materials for liquid hydrogen applications, and safety factors as utilized in state of the art pumps are among the topics discussed. Axial pump applications are included.

Adsorption of H2, O2, H2O, OH and H on monolayer MoS2

NASA Astrophysics Data System (ADS)

Ferreira, F.; Carvalho, A.; Moura, Í. J. M.; Coutinho, J.; Ribeiro, R. M.

2018-01-01

Hydrogen and hydrogen-containing gases are commonly used as reductants in chemical vapor deposition growth of MoS2. Here, we consider the defects resulting from the presence of hydrogen during growth and the resulting electronically active defects. In particular, we find that the interstitial hydrogen defect is a negative-U center with amphoteric donor and acceptor properties. Additionally, we consider the effects of interaction with water and oxygen. The defects are analysed using density functional theory calculations.

Disproportionation of rosin on an industrial Pd/C catalyst: reaction pathway and kinetic model discrimination.

PubMed

Souto, Juan Carlos; Yustos, Pedro; Ladero, Miguel; Garcia-Ochoa, Felix

2011-02-01

In this work, a phenomenological study of the isomerisation and disproportionation of rosin acids using an industrial 5% Pd on charcoal catalyst from 200 to 240°C is carried out. Medium composition is determined by elemental microanalysis, GC-MS and GC-FID. Dehydrogenated and hydrogenated acid species molar amounts in the final product show that dehydrogenation is the main reaction. Moreover, both hydrogen and non-hydrogen concentration considering kinetic models are fitted to experimental data using a multivariable non-linear technique. Statistical discrimination among the proposed kinetic models lead to the conclusion hydrogen considering models fit much better to experimental results. The final kinetic model involves first-order isomerisation reactions of neoabietic and palustric acids to abietic acid, first-order dehydrogenation and hydrogenation of this latter acid, and hydrogenation of pimaric acids. Hydrogenation reactions are partial first-order regarding the acid and hydrogen. Copyright © 2010 Elsevier Ltd. All rights reserved.

Stabilization of Wind Energy Conversion System with Hydrogen Generator by Using EDLC Energy Storage System

NASA Astrophysics Data System (ADS)

Shishido, Seiji; Takahashi, Rion; Murata, Toshiaki; Tamura, Junji; Sugimasa, Masatoshi; Komura, Akiyoshi; Futami, Motoo; Ichinose, Masaya; Ide, Kazumasa

The spread of wind power generation is progressed hugely in recent years from a viewpoint of environmental problems including global warming. Though wind power is considered as a very prospective energy source, wind power fluctuation due to the random fluctuation of wind speed has still created some problems. Therefore, research has been performed how to smooth the wind power fluctuation. This paper proposes Energy Capacitor System (ECS) for the smoothing of wind power which consists of Electric Double-Layer Capacitor (EDLC) and power electronics devices and works as an electric power storage system. Moreover, hydrogen has received much attention in recent years from a viewpoint of exhaustion problem of fossil fuel. Therefore it is also proposed that a hydrogen generator is installed at the wind farm to generate hydrogen. In this paper, the effectiveness of the proposed system is verified by the simulation analyses using PSCAD/EMTDC.

Investigation of the applicability of using the triple redundant hydrogen sensor for methane sensing

NASA Technical Reports Server (NTRS)

Lantz, J. B.; Wynveen, R. A.

1983-01-01

Application specifications for the methane sensor were assembled and design guidelines, development goals and evaluation criteria were formulated. This was done to provide a framework to evaluate sensor performance and any design adjustments to the preprototype sensor that could be required to provide methane sensitivity. Good response to hydrogen was experimentally established for four hydrogen sensor elements to be later evaluated for methane response. Prior results were assembled and analyzed for other prototype hydrogen sensor performance parameters to form a comparison base. The four sensor elements previously shown to have good hydrogen response were experimentally evaluated for methane response in 2.5% methane-in-air. No response was obtained for any of the elements, despite the high methane concentration used (50% of the Lower Flammability Limit). It was concluded that the preprototype sensing elements were insensitive to methane and were hydrogen specific. Alternative sensor operating conditions and hardware design changes were considered to provide methane sensitivity to the preprototype sensor, including a variety of different methane sensing techniques. Minor changes to the existing sensor elements, sensor geometry and operating conditions will not make the preprototype hydrogen sensor respond to methane. New sensor elements that will provide methane and hydrogen sensitivity require replacement of the existing thermistor type elements. Some hydrogen sensing characteristics of the modified sensor will be compromised (larger in situ calibration gas volume and H2 nonspecificity). The preprototype hydrogen sensor should be retained for hydrogen monitoring and a separate methane sensor should be developed.

Hydrogen environment embrittlement

NASA Technical Reports Server (NTRS)

Gray, H. R.

1972-01-01

Hydrogen embrittlement is classified into three types: internal reversible hydrogen embrittlement, hydrogen reaction embrittlement, and hydrogen environment embrittlement. Characteristics of and materials embrittled by these types of hydrogen embrittlement are discussed. Hydrogen environment embrittlement is reviewed in detail. Factors involved in standardizing test methods for detecting the occurrence of and evaluating the severity of hydrogen environment embrittlement are considered. The effect of test technique, hydrogen pressure, purity, strain rate, stress concentration factor, and test temperature are discussed. Additional research is required to determine whether hydrogen environment embrittlement and internal reversible hydrogen embrittlement are similar or distinct types of embrittlement.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Badin, J.S.; DiPietro, J.P.

The DOE Hydrogen Program is supporting research, development, and demonstration activities to overcome the barriers to the integration of hydrogen into the Nation`s energy infrastructure. Much work is required to gain acceptance of hydrogen energy system concepts and to develop them for implementation. A systems analysis database has been created that includes a formal documentation of technology characterization profiles and cost and performance information. Through a systematic and quantitative approach, system developers can understand and address important issues and thereby assure effective and timely commercial implementation. This project builds upon and expands the previously developed and tested pathway model andmore » provides the basis for a consistent and objective analysis of all hydrogen energy concepts considered by the DOE Hydrogen Program Manager. This project can greatly accelerate the development of a system by minimizing the risk of costly design evolutions, and by stimulating discussions, feedback, and coordination of key players and allows them to assess the analysis, evaluate the trade-offs, and to address any emerging problem areas. Specific analytical studies will result in the validation of the competitive feasibility of the proposed system and identify system development needs. Systems that are investigated include hydrogen bromine electrolysis, municipal solid waste gasification, electro-farming (biomass gasifier and PEM fuel cell), wind/hydrogen hybrid system for remote sites, home electrolysis and alternate infrastructure options, renewable-based electrolysis to fuel PEM fuel cell vehicle fleet, and geothermal energy used to produce hydrogen. These systems are compared to conventional and benchmark technologies. Interim results and findings are presented. Independent analyses emphasize quality, integrity, objectivity, a long-term perspective, corporate memory, and the merging of technical, economic, operational, and programmatic expertise.« less

Hydrogen and advanced aerospace materials

NASA Technical Reports Server (NTRS)

Nelson, Howard G.

1988-01-01

The hydrogen embrittlement is briefly reviewed and discussed in terms of specific structural materials considered for use on a generic, hydrogen-fueled, hypersonic aerospace vehicle. A few unusual hydrogen-material incompatibility concerns are identified and some solution methodologies are discussed that could potentially lessen these concerns.

Unconventional processes for food regeneration in space - An overview

NASA Technical Reports Server (NTRS)

Stokes, B. O.; Petersen, G. R.; Schubert, W. W.; Mueller, W. A.

1981-01-01

Alternatives to conventional plant agriculture for the regeneration of food during space missions of extended duration are examined. The options considered, which may be used in combination with conventional agriculture, include the production of food from plant wastes, the chemical synthesis of food from carbon dioxide and other simple molecules or the substitution of edible chemicals, and the use of microrganisms for food and oxygen regeneration, with suitable processing. A comparison of solar energy conversion efficiencies is presented for nonphotosynthetic bacteria grown on hydrogen and algal systems photosynthetically, and it is shown that hydrogen bacteria are potentially more attractive than photosynthetic algae using artificial light. Weight-volume requirements for the conventional plant, algae and hydrogen bacteria systems are also compared to demonstrate the advantages of microbial systems.

Register of hydrogen technology experts

NASA Technical Reports Server (NTRS)

Ludtke, P. R.

1975-01-01

This register presents the names of approximately 235 individuals who are considered experts, or very knowledgeable, in various fields of technology related to hydrogen. Approximately 90 organizations are represented. Each person is listed by organizational affiliation, address, and principal area of expertise. The criteria for selection of names for the register are extensive experience in a given field of work, participation in or supervision of relevant research programs, contributions to the literature, or being recognized as an expert in a particular field. The purpose of the register is to present, in easy form, sources of dependable information regarding highly technical areas of hydrogen technology, with particular emphasis on safety. The register includes two indexes: an alphabetical listing of the experts and an alphabetical listing of the organizations with which they are affiliated.

Nanomaterials for Hydrogen Storage Applications: A Review

DOE PAGES

Niemann, Michael U.; Srinivasan, Sesha S.; Phani, Ayala R.; ...

2008-01-01

Nmore » anomaterials have attracted great interest in recent years because of the unusual mechanical, electrical, electronic, optical, magnetic and surface properties. The high surface/volume ratio of these materials has significant implications with respect to energy storage. Both the high surface area and the opportunity for nanomaterial consolidation are key attributes of this new class of materials for hydrogen storage devices. anostructured systems including carbon nanotubes, nano-magnesium based hydrides, complex hydride/carbon nanocomposites, boron nitride nanotubes, TiS 2 / MoS 2 nanotubes, alanates, polymer nanocomposites, and metal organic frameworks are considered to be potential candidates for storing large quantities of hydrogen. Recent investigations have shown that nanoscale materials may offer advantages if certain physical and chemical effects related to the nanoscale can be used efficiently. The present review focuses the application of nanostructured materials for storing atomic or molecular hydrogen. The synergistic effects of nanocrystalinity and nanocatalyst doping on the metal or complex hydrides for improving the thermodynamics and hydrogen reaction kinetics are discussed. In addition, various carbonaceous nanomaterials and novel sorbent systems (e.g. carbon nanotubes, fullerenes, nanofibers, polyaniline nanospheres and metal organic frameworks etc.) and their hydrogen storage characteristics are outlined.« less

Kinetic Monte Carlo simulation on influence of vacancy on hydrogen diffusivity in tungsten

NASA Astrophysics Data System (ADS)

Oda, Takuji; Zhu, Deqiong; Watanabe, Yoshiyuki

2015-12-01

Kinetic Mote Carlo (KMC) simulations are performed to quantify the influence of trap in hydrogen diffusivity in tungsten. As a typical trap, mono-vacancy is considered in the simulation. Experimental results reported by Frauenfelder are nicely reproduced when hydrogen concentration and trap concentration expected in the experiment are employed in the simulation. The effective diffusivity of hydrogen is evidently decreased by traps even at high temperatures like 1300 K. These results suggest that only high-temperature experimental data, which are not significantly affected by traps, should be fitted to, in order to derive the true hydrogen diffusivity from experiments. Therefore, we recommend D = 1.58 ×10-7exp(- 0.25 eV / kT) m2 s-1 as the equation for hydrogen diffusion coefficient in tungsten, which was obtained by fitting only to experimental data at 1500-2400 K by Heinola and Ahlgren, rather than the most cited equation D = 4.1 ×10-7exp(- 0.39 eV / kT) m2 s-1, which was obtained by fitting to all experimental data at 1100-2400 K including some data that should be affected by traps.

Wave-packet continuum-discretization approach to ion-atom collisions including rearrangement: Application to differential ionization in proton-hydrogen scattering

NASA Astrophysics Data System (ADS)

Abdurakhmanov, I. B.; Bailey, J. J.; Kadyrov, A. S.; Bray, I.

2018-03-01

In this work, we develop a wave-packet continuum-discretization approach to ion-atom collisions that includes rearrangement processes. The total scattering wave function is expanded using a two-center basis built from wave-packet pseudostates. The exact three-body Schrödinger equation is converted into coupled-channel differential equations for time-dependent expansion coefficients. In the asymptotic region these time-dependent coefficients represent transition amplitudes for all processes including elastic scattering, excitation, ionization, and electron capture. The wave-packet continuum-discretization approach is ideal for differential ionization studies as it allows one to generate pseudostates with arbitrary energies and distribution. The approach is used to calculate the double differential cross section for ionization in proton collisions with atomic hydrogen. Overall good agreement with experiment is obtained for all considered cases.

Progress in hydrogen energy; Proceedings of the National Workshop on Hydrogen Energy, New Delhi, India, July 4-6, 1985

NASA Astrophysics Data System (ADS)

Dahiya, R. P.

1987-06-01

The present conference on the development status of hydrogen energy technologies considers electrolytic hydrogen production, photoelectrolytic hydrogen production, microorganic hydrogen production, OTEC hydrogen production, solid-state materials for hydrogen storage, and a thin-film hydrogen storage system. Also discussed are the cryogenic storage of hydrogen; liquid hydrogen fuel for ground, air, and naval vehicles; hydrogen-fuel internal combustion engines; the use of hydrogen for domestic, commercial, and industrial applications; hydrogen fuel-cell development; enzyme electrodes for the use of hydrogen-rich fuels in biochemical fuel cells; an analysis of H2-O2 MHD generators; and hydrogen energy technology characterization and evaluation on the basis of an input-output structure.

Effects of a Transition to a Hydrogen Economy on Employment in the United States

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tolley, George S.; Jones, Donald W. Mintz, Marianne M.; Smith, Barton A.

2008-07-01

The U.S. Department of Energy report, Effects of a Transition to a Hydrogen Economy on Employment in the United States Report to Congress, estimates the effects on employment of a U.S. economy transformation to hydrogen between 2020 and 2050. The report includes study results on employment impacts from hydrogen market expansion in the transportation, stationary, and portable power sectors and highlights possible skill and education needs. This study is in response to Section 1820 of the Energy Policy Act of 2005 (Public Law 109-58) (EPACT). Section 1820, “Overall Employment in a Hydrogen Economy,” requires the Secretary of Energy to carrymore » out a study of the effects of a transition to a hydrogen economy on several employment [types] in the United States. As required by Section 1820, the present report considers: • Replacement effects of new goods and services • International competition • Workforce training requirements • Multiple possible fuel cycles, including usage of raw materials • Rates of market penetration of technologies • Regional variations based on geography • Specific recommendations of the study Both the Administration’s National Energy Policy and the Department’s Strategic Plan call for reducing U.S. reliance on imported oil and reducing greenhouse gas emissions. The National Energy Policy also acknowledges the need to increase energy supplies and use more energy-efficient technologies and practices. President Bush proposed in his January 2003 State of the Union Address to advance research on hydrogen so that it has the potential to play a major role in America’s future energy system. Consistent with these aims, EPACT 2005 authorizes a research, development, and demonstration program for hydrogen and fuel cell technology. Projected results for the national employment impacts, projections of the job creation and job replacement underlying the total employment changes, training implications, regional employment impacts and the employment impacts of a hydrogen transformation on international competitiveness are investigated and reported.« less

Laser-heated rocket studies

NASA Technical Reports Server (NTRS)

Kemp, N. H.; Root, R. G.; Wu., P. K. S.; Caledonia, G. E.; Pirri, A. N.

1976-01-01

CW laser heated rocket propulsion was investigated in both the flowing core and stationary core configurations. The laser radiation considered was 10.6 micrometers, and the working gas was unseeded hydrogen. The areas investigated included initiation of a hydrogen plasma capable of absorbing laser radiation, the radiation emission properties of hot, ionized hydrogen, the flow of hot hydrogen while absorbing and radiating, the heat losses from the gas and the rocket performance. The stationary core configuration was investigated qualitatively and semi-quantitatively. It was found that the flowing core rockets can have specific impulses between 1,500 and 3,300 sec. They are small devices, whose heating zone is only a millimeter to a few centimeters long, and millimeters to centimeters in radius, for laser power levels varying from 10 to 5,000 kW, and pressure levels of 3 to 10 atm. Heat protection of the walls is a vital necessity, though the fraction of laser power lost to the walls can be as low as 10% for larger powers, making the rockets thermally efficient.

Consequences of CO2 solubility for hydrate formation from carbon dioxide containing water and other impurities.

PubMed

Kvamme, Bjørn; Kuznetsova, Tatiana; Jensen, Bjørnar; Stensholt, Sigvat; Bauman, Jordan; Sjøblom, Sara; Nes Lervik, Kim

2014-05-14

Deciding on the upper bound of water content permissible in a stream of dense carbon dioxide under pipeline transport conditions without facing the risks of hydrate formation is a complex issue. In this work, we outline and analyze ten primary routes of hydrate formation inside a rusty pipeline, with hydrogen sulfide, methane, argon, and nitrogen as additional impurities. A comprehensive treatment of equilibrium absolute thermodynamics as applied to multiple hydrate phase transitions is provided. We also discuss in detail the implications of the Gibbs phase rule that make it necessary to consider non-equilibrium thermodynamics. The analysis of hydrate formation risk has been revised for the dominant routes, including the one traditionally considered in industrial practice and hydrate calculators. The application of absolute thermodynamics with parameters derived from atomistic simulations leads to several important conclusions regarding the impact of hydrogen sulfide. When present at studied concentrations below 5 mol%, the presence of hydrogen sulfide will only support the carbon-dioxide-dominated hydrate formation on the phase interface between liquid water and hydrate formers entering from the carbon dioxide phase. This is in contrast to a homogeneous hydrate nucleation and growth inside the aqueous solution bulk. Our case studies indicate that hydrogen sulfide at higher than 0.1 mol% concentration in carbon dioxide can lead to growth of multiple hydrate phases immediately adjacent to the adsorbed water layers. We conclude that hydrate formation via water adsorption on rusty pipeline walls will be the dominant contributor to the hydrate formation risk, with initial concentration of hydrogen sulfide being the critical factor.

Quantum entanglement and quantum information in biological systems (DNA)

NASA Astrophysics Data System (ADS)

Hubač, Ivan; Švec, Miloslav; Wilson, Stephen

2017-12-01

Recent studies of DNA show that the hydrogen bonds between given base pairs can be treated as diabatic systems with spin-orbit coupling. For solid state systems strong diabaticity and spin-orbit coupling the possibility of forming Majorana fermions has been discussed. We analyze the hydrogen bonds in the base pairs in DNA from this perspective. Our analysis is based on a quasiparticle supersymmetric transformation which couples electronic and vibrational motion and includes normal coordinates and the corresponding momenta. We define qubits formed by Majorana fermions in the hydrogen bonds and also discuss the entangled states in base pairs. Quantum information and quantum entropy are introduced. In addition to the well-known classical information connected with the DNA base pairs, we also consider quantum information and show that the classical and quantum information are closely connected.

Convective overshooting in the evolution of very massive stars

NASA Technical Reports Server (NTRS)

Stothers, R.; Chin, C.-W.

1981-01-01

Possible convective overshooting in stars of 30-120 solar masses are considered, including a merger between the convective core and the intermediate zone, and penetration by the outer convection zone into the hydrogen-shell region when the star is a supergiant. Convective mixing between the core and inner envelopes is found to lead to a brief renewal of hydrogen burning in the core, and a moderate widening of the main sequence bond in the H-R diagram. Deep penetration by the outer convection zone is found to force the star out of the red supergiant configuration and into a configuration near the main sequence. This would account for the apparent spread of the uppermost part of the main sequence and the concentration of luminous supergiants towards earlier spectral types. In addition, heavy mass loss need not be assumed to achieve the points of agreement, and are tentatively considered unimportant from an evolutionary point of view.

Thunder Energy Inc. applications to modify an existing sweet gas processing facility to a sour gas processing facility and increase the hydrogen sulfide concentration of existing pipelines, Kelsey area: Examiner report 98-2, application numbers 1007719 and 1013399

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

Thunder Energy Inc. received approval from the Alberta Energy and Utilities Board for modification of an existing gas plant to process sour gas, and also applied for permission to increase the hydrogen sulfide content of its existing pipelines in the Kelsey area. This report presents the views of Thunder Energy, the Board, and various intervenors at a hearing held to consider objections to the plant approval and matters related to the application. Issues considered include the need for sour gas processing, the need for the plant modification as opposed to the feasibility of using existing sour gas processing facilities, environmentalmore » impacts, and the requirements for notification of industry in the area. The report concludes with the Board`s decision.« less

Lamb shift and fine structure at n =2 in a hydrogenlike muonic atom with the nuclear spin I =0

NASA Astrophysics Data System (ADS)

Korzinin, Evgeny Yu.; Shelyuto, Valery A.; Ivanov, Vladimir G.; Karshenboim, Savely G.

2018-01-01

The paper is devoted to the Lamb shift and fine structure in a hydrogenlike muonic atom with a spinless nucleus up to the order α5m with all the recoil corrections included. Enhanced contributions of a higher order are also considered. We present the results on the pure QED contribution and on the finite-nuclear-size contribution, proportional to RN2, with the higher-order corrections included. We also consider the consistency of the pure QED theory and the evaluation of the nuclear-structure effects. Most of the QED theory is the same as the theory for the case of the nuclear spin 1/2. Additional nuclear-spin-dependent terms are considered in detail. The issue of the difference for the theories with a spinor nucleus and a scalar one is discussed for the recoil contributions in the order (Zα ) 4m ,α (Zα ) 4m , and (Zα ) 5m . The numerical results are presented for the muonic atoms with two lightest scalar nuclei, helium-4 and beryllium-10. We compare the theory of those muonic atoms with theory for the muonic hydrogen. Some higher-order finite-nuclear-size corrections for the Lamb shift in muonic hydrogen are revisited.

Hydrogen Peroxide Sensing and Signaling by Protein Kinases in the Cardiovascular System

PubMed Central

Burgoyne, Joseph R.; Oka, Shin-ichi; Ale-Agha, Niloofar

2013-01-01

Abstract Significance: Oxidants were once principally considered perpetrators of injury and disease. However, this has become an antiquated view, with cumulative evidence showing that the oxidant hydrogen peroxide serves as a signaling molecule. Hydrogen peroxide carries vital information about the redox state of the cell and is crucial for homeostatic regulation during health and adaptation to stress. Recent Advances: In this review, we examine the contemporary concepts for how hydrogen peroxide is sensed and transduced into a biological response by introducing post-translational oxidative modifications on select proteins. Oxidant sensing and signaling by kinases are of particular importance as they integrate oxidant signals into phospho-regulated pathways. We focus on CAMKII, PKA, and PKG, kinases whose redox regulation has notable impact on cardiovascular function. Critical Issues: In addition, we examine the mechanism for regulating intracellular hydrogen peroxide, considering the net concentrations that may accumulate. The effects of endogenously generated oxidants are often modeled by applying exogenous hydrogen peroxide to cells or tissues. Here we consider whether model systems exposed to exogenous hydrogen peroxide have relevance to systems where the oxidant is generated endogenously, and if so, what concentration can be justified in terms of relevance to health and disease. Future Directions: Improving our understanding of hydrogen peroxide signaling and the sensor proteins that it can modify will help us develop new strategies to regulate intracellular signaling to prevent disease. Antioxid. Redox Signal. 18, 1042–1052. PMID:22867279

Low-frequency Carbon Radio Recombination Lines. I. Calculations of Departure Coefficients

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salgado, F.; Morabito, L. K.; Oonk, J. B. R.

In the first paper of this series, we study the level population problem of recombining carbon ions. We focus our study on high quantum numbers, anticipating observations of carbon radio recombination lines to be carried out by the Low Frequency Array. We solve the level population equation including angular momentum levels with updated collision rates up to high principal quantum numbers. We derive departure coefficients by solving the level population equation in the hydrogenic approximation and including low-temperature dielectronic capture effects. Our results in the hydrogenic approximation agree well with those of previous works. When comparing our results including dielectronicmore » capture, we find differences that we ascribe to updates in the atomic physics (e.g., collision rates) and to the approximate solution method of the statistical equilibrium equations adopted in previous studies. A comparison with observations is discussed in an accompanying article, as radiative transfer effects need to be considered.« less

Including thermal disorder of hydrogen bonding to describe the vibrational circular dichroism spectrum of zwitterionic L-alanine in water.

PubMed

Orestes, Ednilsom; Bistafa, Carlos; Rivelino, Roberto; Canuto, Sylvio

2015-05-28

The vibrational circular dichroism (VCD) spectrum of l-alanine amino acid in aqueous solution in ambient conditions has been studied. The emphasis has been placed on the inclusion of the thermal disorder of the solute-solvent hydrogen bonds that characterize the aqueous solution condition. A combined and sequential use of molecular mechanics and quantum mechanics was adopted. To calculate the average VCD spectrum, the DFT B3LYP/6-311++G(d,p) level of calculation was employed, over one-hundred configurations composed of the solute plus all water molecules making hydrogen bonds with the solute. Simplified considerations including only four explicit solvent molecules and the polarizable continuum model were also made for comparison. Considering the large number of vibration frequencies with only limited experimental results a direct comparison is presented, when possible, and in addition a statistical analysis of the calculated values was performed. The results are found to be in line with the experiment, leading to the conclusion that including thermal disorder may improve the agreement of the vibrational frequencies with experimental results, but the thermal effects may be of greater value in the calculations of the rotational strengths.

Highly accurate bound state calculations of the two-center molecular ions by using the universal variational expansion for three-body systems

NASA Astrophysics Data System (ADS)

Frolov, Alexei M.

2018-03-01

The universal variational expansion for the non-relativistic three-body systems is explicitly constructed. This universal expansion can be used to perform highly accurate numerical computations of the bound state spectra in various three-body systems, including Coulomb three-body systems with arbitrary particle masses and electric charges. Our main interest is related to the adiabatic three-body systems which contain one bound electron and two heavy nuclei of hydrogen isotopes: the protium p, deuterium d and tritium t. We also consider the analogous (model) hydrogen ion ∞H2+ with the two infinitely heavy nuclei.

The Crystal Structures of Potentially Tautomeric Compounds

NASA Astrophysics Data System (ADS)

Furmanova, Nina G.

1981-08-01

Data on the structures of potentially proto-, metallo-, and carbono-tropic compounds, obtained mainly by X-ray diffraction, are surveyed. The results of neutron and electron diffraction studies have also been partly used. It is shown that a characteristic feature of all the systems considered is the formation of hydrogen or secondary bonds ensuring the contribution of both possible tautomeric forms to the structure. Systematic consideration of the experimental data leads to the conclusion that there is a close relation between the crystal structure and the dynamic behaviour of the molecules in solution and that secondary and hydrogen bonds play a significant role in the tautomeric transition. The bibliography includes 152 references.

Studies of the use of heat from high temperature nuclear sources for hydrogen production processes

NASA Technical Reports Server (NTRS)

Farbman, G. H.

1976-01-01

Future uses of hydrogen and hydrogen production processes that can meet the demand for hydrogen in the coming decades were considered. To do this, a projection was made of the market for hydrogen through the year 2000. Four hydrogen production processes were selected, from among water electrolysis, fossil based and thermochemical water decomposition systems, and evaluated, using a consistent set of ground rules, in terms of relative performance, economics, resource requirements, and technology status.

Middle atmosphere heating by exothermic chemical reactions involving odd-hydrogen species

NASA Technical Reports Server (NTRS)

Mlynczak, Martin G.; Solomon, Susan

1991-01-01

The rate of heating which occurs in the middle atmosphere due to four exothermic reactions involving members of the odd-hydrogen family is calculated. The following reactions are considered: O + OH yields O2 + H; H + O2 + M yields HO2 + M; H + O3 yields OH + O2; and O + HO2 yields OH + O2. It is shown that the heating rates due to these reactions rival the oxygen-related heating rates conventionally considered in middle-atmosphere models. The conversion of chemical potential energy into molecular translational energy (heat) by these odd-hydrogen reactions is shown to be a significant energy source in the middle atmosphere that has not been previously considered.

Hydrogen Generation Through Renewable Energy Sources at the NASA Glenn Research Center

NASA Technical Reports Server (NTRS)

Colozza, Anthony; Prokopius, Kevin

2007-01-01

An evaluation of the potential for generating high pressure, high purity hydrogen at the NASA Glenn Research Center (GRC) was performed. This evaluation was based on producing hydrogen utilizing a prototype Hamilton Standard electrolyzer that is capable of producing hydrogen at 3000 psi. The present state of the electrolyzer system was determined to identify the refurbishment requirements. The power for operating the electrolyzer would be produced through renewable power sources. Both wind and solar were considered in the analysis. The solar power production capability was based on the existing solar array field located at NASA GRC. The refurbishment and upgrade potential of the array field was determined and the array output was analyzed with various levels of upgrades throughout the year. The total available monthly and yearly energy from the array was determined. A wind turbine was also sized for operation. This sizing evaluated the wind potential at the site and produced an operational design point for the wind turbine. Commercially available wind turbines were evaluated to determine their applicability to this site. The system installation and power integration were also addressed. This included items such as housing the electrolyzer, power management, water supply, gas storage, cooling and hydrogen dispensing.

Biology and therapeutic potential of hydrogen sulfide and hydrogen sulfide-releasing chimeras

PubMed Central

Kashfi, Khosrow; Olson, Kenneth R.

2012-01-01

Hydrogen sulfide, H2S, is a colorless gas with a strong odor that until recently was only considered to be a toxic environmental pollutant with little or no physiological significance. However, the past few years have demonstrated its role in many biological systems and it is becoming increasingly clear that H2S is likely to join nitric oxide (NO) and carbon monoxide (CO) as a major player in mammalian biology. In this review, we have provided an overview of the chemistry and biology of H2S and have summarized the chemistry and biological activity of some natural and synthetic H2S-donating compounds. The naturally occurring compounds discussed include, garlic, sulforaphane, erucin, and iberin. The synthetic H2S donors reviewed include, GYY4137; cysteine analogs; S-propyl cysteine, S-allyl cysteine, S-propargyl cysteine, and N-acetyl cysteine. Dithiolethione and its NSAID and other chimeras such as, L-DOPA, sildenafil, aspirin, diclofenac, naproxen, ibuprofen, indomethacin, and mesalamine have also been reviewed in detail. The newly reported NOSH-aspirin that releases both NO and H2S has also been discussed. PMID:23103569

A comparison of successful and failed protein interface designs highlights the challenges of designing buried hydrogen bonds

PubMed Central

Stranges, P Benjamin; Kuhlman, Brian

2013-01-01

The accurate design of new protein–protein interactions is a longstanding goal of computational protein design. However, most computationally designed interfaces fail to form experimentally. This investigation compares five previously described successful de novo interface designs with 158 failures. Both sets of proteins were designed with the molecular modeling program Rosetta. Designs were considered a success if a high-resolution crystal structure of the complex closely matched the design model and the equilibrium dissociation constant for binding was less than 10 μM. The successes and failures represent a wide variety of interface types and design goals including heterodimers, homodimers, peptide-protein interactions, one-sided designs (i.e., where only one of the proteins was mutated) and two-sided designs. The most striking feature of the successful designs is that they have fewer polar atoms at their interfaces than many of the failed designs. Designs that attempted to create extensive sets of interface-spanning hydrogen bonds resulted in no detectable binding. In contrast, polar atoms make up more than 40% of the interface area of many natural dimers, and native interfaces often contain extensive hydrogen bonding networks. These results suggest that Rosetta may not be accurately balancing hydrogen bonding and electrostatic energies against desolvation penalties and that design processes may not include sufficient sampling to identify side chains in preordered conformations that can fully satisfy the hydrogen bonding potential of the interface. PMID:23139141

A comparison of successful and failed protein interface designs highlights the challenges of designing buried hydrogen bonds.

PubMed

Stranges, P Benjamin; Kuhlman, Brian

2013-01-01

The accurate design of new protein-protein interactions is a longstanding goal of computational protein design. However, most computationally designed interfaces fail to form experimentally. This investigation compares five previously described successful de novo interface designs with 158 failures. Both sets of proteins were designed with the molecular modeling program Rosetta. Designs were considered a success if a high-resolution crystal structure of the complex closely matched the design model and the equilibrium dissociation constant for binding was less than 10 μM. The successes and failures represent a wide variety of interface types and design goals including heterodimers, homodimers, peptide-protein interactions, one-sided designs (i.e., where only one of the proteins was mutated) and two-sided designs. The most striking feature of the successful designs is that they have fewer polar atoms at their interfaces than many of the failed designs. Designs that attempted to create extensive sets of interface-spanning hydrogen bonds resulted in no detectable binding. In contrast, polar atoms make up more than 40% of the interface area of many natural dimers, and native interfaces often contain extensive hydrogen bonding networks. These results suggest that Rosetta may not be accurately balancing hydrogen bonding and electrostatic energies against desolvation penalties and that design processes may not include sufficient sampling to identify side chains in preordered conformations that can fully satisfy the hydrogen bonding potential of the interface. Copyright © 2012 The Protein Society.

Economic Assessment of Hydrogen Technologies Participating in California Electricity Markets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eichman, Joshua; Townsend, Aaron; Melaina, Marc

As the electric sector evolves and increasing amounts of variable renewable generation are installed on the system, there are greater needs for system flexibility and sufficient capacity, and greater concern for overgeneration from renewable sources not well matched in time with electric loads. Hydrogen systems have the potential to support the grid in each of these areas. However, limited information is available about the economic competitiveness of hydrogen system configurations. This paper quantifies the value for hydrogen energy storage and demand response systems to participate in select California wholesale electricity markets using 2012 data. For hydrogen systems and conventional storagemore » systems (e.g., pumped hydro, batteries), the yearly revenues from energy, ancillary service, and capacity markets are compared to the yearly cost to establish economic competitiveness. Hydrogen systems can present a positive value proposition for current markets. Three main findings include: (1) For hydrogen systems participating in California electricity markets, producing and selling hydrogen was found to be much more valuable than producing and storing hydrogen to later produce electricity; therefore systems should focus on producing and selling hydrogen and opportunistically providing ancillary services and arbitrage. (2) Tighter integration with electricity markets generates greater revenues (i.e., systems that participate in multiple markets receive the highest revenue). (3) More storage capacity, in excess of what is required to provide diurnal shifting, does not increase competitiveness in current California wholesale energy markets. As more variable renewable generation is installed, the importance of long duration storage may become apparent in the energy price or through additional markets, but currently, there is not a sufficiently large price differential between days to generate enough revenue to offset the cost of additional storage. Future work will involve expanding to consider later year data and multiple regions to establish more generalized results.« less

Mathematical modeling of static layer crystallization for propellant grade hydrogen peroxide

NASA Astrophysics Data System (ADS)

Hao, Lin; Chen, Xinghua; Sun, Yaozhou; Liu, Yangyang; Li, Shuai; Zhang, Mengqian

2017-07-01

Hydrogen peroxide (H2O2) is an important raw material widely used in many fields. In this work a mathematical model of heat conduction with a moving boundary was proposed to study the melt crystallization process of hydrogen peroxide which was carried out outside a cylindrical crystallizer. Considering the effects of the temperature of the cooling fluid on the thermal conductivity of crude crystal, the model is an improvement of Guardani's research and can be solved by analytic iteration method. An experiment was designed to measure the thickness of crystal layer with time under different conditions. A series of analysis, including the effects of different refrigerant temperature on crystal growth rate, the effects of different cooling rates on crystal layer growth rate, the effects of crystallization temperature on heat transfer and the model's application scope were conducted based on the comparison between experimental results and simulation results of the model.

Probing the effects of defects on ferroelectricity in ferroelectric thin films

NASA Astrophysics Data System (ADS)

Zhu, Lin

Ferroelectric materials have been intensively studied due to their interesting properties such as piezoelectricity, ferroelectricity including spontaneous polarization, remnant polarization, hysteresis loop, and etc. In this study, effects of defects, thickness, and temperature on ferroelectric stability, hysteresis loop, and phase transition in ferroelectric thin films have been investigated using molecular dynamics simulations with first-principles effective Hamiltonian. Various types of defects are considered including oxygen vacancy, hydrogen contamination, and dead layer. We first study the effects of oxygen vacancy on ferroelectricity in PbTiO3 (PTO) thin films. An oxygen vacancy has been modeled as a +2q charged point defect which generates local strain and electrostatic fields. Atomic displacements induced by an oxygen vacancy were obtained by first-principles calculations and the corresponding strain field was fitted with elastic continuum model of a point defect. The obtained local strain and electrostatic fields are the inputs to the molecular dynamics (MD) simulations. We limited the oxygen vacancies in the interfacial layers between the film and electrodes. Oxygen vacancies reduce the spontaneous polarization and significantly increase the critical thickness below which the spontaneous polarization disappears. With the presence of oxygen vacancy only at one interface layer, PTO film exhibits asymmetric hysteresis loop which is consistent with experimental observations about the imprint effect. In the heating-up and cooling-down processes, oxygen vacancies weaken the phase transitions, but contribute tension along the thickness direction at high temperature. First-principles calculations are performed to determine the possible position, formation energy, and mobility of the interstitial hydrogen atom, and the calculated results are used as inputs to MD simulations in a large system. The hydrogen atom is able to move within one unit cell with small energy barriers. The energy difference between a hydrogen contaminated PTO and a pure PTO is considered as an energy penalty term induced by hydrogen contamination. Then, the effective Hamiltonian with the energy penalty is employed in MD simulations to investigate the effects of hydrogen contamination on the ferroelectric responses of PTO films. The hysteresis loops are presented and analyzed for PTO films with various concentrations of hydrogen impurities and thicknesses. Hydrogen contamination reduces the remnant polarization, especially for thin films. As the concentration of hydrogen impurities increases, the critical thickness increases. By analyzing the vertical cross section snapshots, it has been found that the hydrogen impurities near interfaces affect the polarization throughout the entire PTO film. To study the effect of the dead layer (depolarization field), the soft modes in the top and bottom layers are constrained to be zero, which gives rise to the reduced polarization and increased critical thickness. Negative capacitance is a new and hot topic, which was recently observed by experiment. It is a transient effect that correlated with depolarization field. Some preliminary results and application of negative capacitance are discussed.

Effects of van der Waals density functional corrections on trends in furfural adsorption and hydrogenation on close-packed transition metal surfaces

NASA Astrophysics Data System (ADS)

Liu, Bin; Cheng, Lei; Curtiss, Larry; Greeley, Jeffrey

2014-04-01

The hydrogenation of furfural to furfuryl alcohol on Pd(111), Cu(111) and Pt(111) is studied with both standard Density Functional Theory (DFT)-GGA functionals and with van der Waals-corrected density functionals. VdW-DF functionals, including optPBE, optB88, optB86b, and Grimme's method, are used to optimize the adsorption configurations of furfural, furfuryl alcohol, and related intermediates resulting from hydrogenation of furfural, and the results are compared to corresponding values determined with GGA functionals, including PW91 and PBE. On Pd(111) and Pt(111), the adsorption geometries of the intermediates are not noticeably different between the two classes of functionals, while on Cu(111), modest changes are seen in both the perpendicular distance and the orientation of the aromatic ring with respect to the planar surface. In general, the binding energies increase substantially in magnitude as a result of van der Waals contributions on all metals. In contrast, however, dispersion effects on the kinetics of hydrogenation are relatively small. It is found that activation barriers are not significantly affected by the inclusion of dispersion effects, and a Brønsted-Evans-Polanyi relationship developed solely from PW91 calculations on Pd(111) is capable of describing corresponding results on Cu(111) and Pt(111), even when the dispersion effects are included. Finally, the reaction energies and barriers derived from the dispersion-corrected and pure GGA calculations are used to plot simple potential energy profiles for furfural hydrogenation to furfuryl alcohol on the three considered metals, and an approximately constant downshift of the energetics due to the dispersion corrections is observed.

The Antibacterial Activity of Honey Derived from Australian Flora

PubMed Central

Irish, Julie; Blair, Shona; Carter, Dee A.

2011-01-01

Chronic wound infections and antibiotic resistance are driving interest in antimicrobial treatments that have generally been considered complementary, including antimicrobially active honey. Australia has unique native flora and produces honey with a wide range of different physicochemical properties. In this study we surveyed 477 honey samples, derived from native and exotic plants from various regions of Australia, for their antibacterial activity using an established screening protocol. A level of activity considered potentially therapeutically useful was found in 274 (57%) of the honey samples, with exceptional activity seen in samples derived from marri (Corymbia calophylla), jarrah (Eucalyptus marginata) and jellybush (Leptospermum polygalifolium). In most cases the antibacterial activity was attributable to hydrogen peroxide produced by the bee-derived enzyme glucose oxidase. Non-hydrogen peroxide activity was detected in 80 (16.8%) samples, and was most consistently seen in honey produced from Leptospermum spp. Testing over time found the hydrogen peroxide-dependent activity in honey decreased, in some cases by 100%, and this activity was more stable at 4°C than at 25°C. In contrast, the non-hydrogen peroxide activity of Leptospermum honey samples increased, and this was greatest in samples stored at 25°C. The stability of non-peroxide activity from other honeys was more variable, suggesting this activity may have a different cause. We conclude that many Australian honeys have clinical potential, and that further studies into the composition and stability of their active constituents are warranted. PMID:21464891

Novel Stimulated Electromagnetic Emission Observations with Artificial Airglow Using RF Excitation with HAARP

NASA Astrophysics Data System (ADS)

Briczinski, S. J., Jr.; Bernhardt, P. A.; Siefring, C. L.; Michell, R.; Hampton, D. L.; Watkins, B. J.; Bristow, W. A.

2014-12-01

Neutral hydrogen plays an important role in determining the state of the plasmasphere and its response to forcing from geomagnetic storms. Hydrogen's solar cycle variation is counterintuitive: there is more hydrogen at solar minimum at 300 km that there is at solar maximum. Similarly there is more hydrogen in winter than in summer and hydrogen density maximizes in the morning. In this presentation we describe these variations and consider some possible causes for them.

Qualitative and quantitative analysis of solar hydrogen generation literature from 2001 to 2014.

PubMed

Maghami, Mohammad Reza; Asl, Shahin Navabi; Rezadad, Mohammad Esmaeil; Ale Ebrahim, Nader; Gomes, Chandima

Solar hydrogen generation is one of the new topics in the field of renewable energy. Recently, the rate of investigation about hydrogen generation is growing dramatically in many countries. Many studies have been done about hydrogen generation from natural resources such as wind, solar, coal etc. In this work we evaluated global scientific production of solar hydrogen generation papers from 2001 to 2014 in any journal of all the subject categories of the Science Citation Index compiled by Institute for Scientific Information (ISI), Philadelphia, USA. Solar hydrogen generation was used as keywords to search the parts of titles, abstracts, or keywords. The published output analysis showed that hydrogen generation from the sun research steadily increased over the past 14 years and the annual paper production in 2013 was about three times 2010-paper production. The number of papers considered in this research is 141 which have been published from 2001 to this date. There are clear distinctions among author keywords used in publications from the five most high-publishing countries such as USA, China, Australia, Germany and India in solar hydrogen studies. In order to evaluate this work quantitative and qualitative analysis methods were used to the development of global scientific production in a specific research field. The analytical results eventually provide several key findings and consider the overview hydrogen production according to the solar hydrogen generation.

The effectiveness of power-generating complexes constructed on the basis of nuclear power plants combined with additional sources of energy determined taking risk factors into account

NASA Astrophysics Data System (ADS)

Aminov, R. Z.; Khrustalev, V. A.; Portyankin, A. V.

2015-02-01

The effectiveness of combining nuclear power plants equipped with water-cooled water-moderated power-generating reactors (VVER) with other sources of energy within unified power-generating complexes is analyzed. The use of such power-generating complexes makes it possible to achieve the necessary load pickup capability and flexibility in performing the mandatory selective primary and emergency control of load, as well as participation in passing the night minimums of electric load curves while retaining high values of the capacity utilization factor of the entire power-generating complex at higher levels of the steam-turbine part efficiency. Versions involving combined use of nuclear power plants with hydrogen toppings and gas turbine units for generating electricity are considered. In view of the fact that hydrogen is an unsafe energy carrier, the use of which introduces additional elements of risk, a procedure for evaluating these risks under different conditions of implementing the fuel-and-hydrogen cycle at nuclear power plants is proposed. Risk accounting technique with the use of statistical data is considered, including the characteristics of hydrogen and gas pipelines, and the process pipelines equipment tightness loss occurrence rate. The expected intensities of fires and explosions at nuclear power plants fitted with hydrogen toppings and gas turbine units are calculated. In estimating the damage inflicted by events (fires and explosions) occurred in nuclear power plant turbine buildings, the US statistical data were used. Conservative scenarios of fires and explosions of hydrogen-air mixtures in nuclear power plant turbine buildings are presented. Results from calculations of the introduced annual risk to the attained net annual profit ratio in commensurable versions are given. This ratio can be used in selecting projects characterized by the most technically attainable and socially acceptable safety.

Ab initio EPR parameters for dangling-bond defect complexes in silicon: Effect of Jahn-Teller distortion

NASA Astrophysics Data System (ADS)

Pfanner, Gernot; Freysoldt, Christoph; Neugebauer, Jörg; Gerstmann, Uwe

2012-05-01

A dangling bond (db) is an important point defect in silicon. It is realized in crystalline silicon by defect complexes of the monovacancy V with impurities. In this work, we present spin-polarized density-functional theory calculations of EPR parameters (g and hyperfine tensors) within the GIPAW formalism for two kinds of db defect complexes. The first class characterizes chemically saturated db systems, where three of the four dangling bonds of the isolated vacancy are saturated by hydrogen (VH3) or hydrogen and oxygen (hydrogen-oxygen complex, VOH). The second kind of db consists of systems with a Jahn-Teller distortion, where the vacancy includes either a substitutional phosphorus atom (the E center, VP) or a single hydrogen atom (VH). For all systems we obtain excellent agreement with available experimental data, and we are therefore able to quantify the effect of the Jahn-Teller distortion on the EPR parameters. Furthermore we study the influence of strain to obtain further insights into the structural and electronic characteristics of the considered defects.

Temperature Stratification in a Cryogenic Fuel Tank

NASA Technical Reports Server (NTRS)

Daigle, Matthew John; Smelyanskiy, Vadim; Boschee, Jacob; Foygel, Michael Gregory

2013-01-01

A reduced dynamical model describing temperature stratification effects driven by natural convection in a liquid hydrogen cryogenic fuel tank has been developed. It accounts for cryogenic propellant loading, storage, and unloading in the conditions of normal, increased, and micro- gravity. The model involves multiple horizontal control volumes in both liquid and ullage spaces. Temperature and velocity boundary layers at the tank walls are taken into account by using correlation relations. Heat exchange involving the tank wall is considered by means of the lumped-parameter method. By employing basic conservation laws, the model takes into consideration the major multi-phase mass and energy exchange processes involved, such as condensation-evaporation of the hydrogen, as well as flows of hydrogen liquid and vapor in the presence of pressurizing helium gas. The model involves a liquid hydrogen feed line and a tank ullage vent valve for pressure control. The temperature stratification effects are investigated, including in the presence of vent valve oscillations. A simulation of temperature stratification effects in a generic cryogenic tank has been implemented in Matlab and results are presented for various tank conditions.

Hydrogen purification systems for PEM fuel cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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 anmore » 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.« less

Effects of Alloyed Metal on the Catalysis Activity of Pt for Ethanol Partial Oxidation: Adsorption and Dehydrogenation on Pt3M (M=Pt, Ru, Sn, Re, Rh, and Pd)

PubMed Central

Xu, Zhen-Feng; Wang, Yixuan

2011-01-01

The adsorption and dehydrogenation reactions of ethanol over bimetallic clusters, Pt3M (M = Pt, Ru, Sn, Re, Rh, and Pd), have been extensively investigated with density functional theory. Both the α-hydrogen and hydroxyl adsorptions on Pt as well as on the alloyed transition metal M sites of PtM were considered as initial reaction steps. The adsorptions of ethanol on Pt and M sites of some PtM via the α-hydrogen were well established. Although the α-hydrogen adsorption on Pt site is weaker than the hydroxyl, the potential energy profiles show that the dehydrogenation via the α-hydrogen path has much lower energy barrier than that via the hydroxyl path. Generally for the α-hydrogen path the adsorption is a rate-determining-step because of rather low dehydrogenation barrier for the α-hydrogen adsorption complex (thermodynamic control), while the hydroxyl path is determined by its dehydrogenation step (kinetic control). The effects of alloyed metal on the catalysis activity of Pt for ethanol partial oxidation, including adsorption energy, energy barrier, electronic structure, and eventually rate constant were discussed. Among all of the alloyed metals only Sn enhances the rate constant of the dehydrogenation via the α-hydrogen path on the Pt site of Pt3Sn as compared with Pt alone, which interprets why the PtSn is the most active to the oxidation of ethanol. PMID:22102920

Status of SAFT silver hydrogen cell development

NASA Technical Reports Server (NTRS)

Goualard, B. J.

1983-01-01

Nickel-hydrogen cells appear to be an improvement over the nickel-cadmium in applications requiring longer lifetime and reduced weight. An even more efficient couple, the silver-hydrogen couple, is also considered. After a theoretical study first performed by the Battelle Institute of Geneva under ESA (European Space Agency) contract, SAFT has undertaken more detailed analyses of the silver-hydrogen degradation mechanisms. ESA and the French Department of Defense contracted with SAFT for a full-development program of the silver-hydrogen technology.

Effects on Air Pollution and Regional Climate of Producing and Using Hydrogen in Fuel Cells in all U.S. OnroadVehicles

NASA Astrophysics Data System (ADS)

Jacobson, M. Z.; Colella, W. G.; Golden, D. M.

2004-12-01

The purpose of this study was to examine the potential effects on U.S. air pollution and regional climate of switching the current U.S. fleet of onroad motor vehicles to hydrogen fuel-cell vehicles, where hydrogen was produced by (1) steam-reforming of methane, (2) wind energy, or (3) coal gasification. An additional scenario in which the U.S. fleet was switched to gasoline-electric hybrid vehicles was also examined. The model used was GATOR-GCMOM, a global-through-urban-scale nested and parallelized gas, aerosol, transport, radiation, general-circulation, mesoscale, and ocean model. U.S. emission data for the baseline case were obtained from the U.S. National Emission Inventory, which considers 370,000 stack and fugitive sources, 250,000 area sources, and 1700 categories of onroad and nonroad vehicular sources (including motorcycles, passenger vehicles, trucks, recreational vehicles, construction vehicles, farm vehicles, industrial vehicles, etc.). Emission inventories for each of the three hydrogen scenarios were prepared following a process chain analysis that accounted for energy inputs and pollution outputs during all stages of hydrogen and fossil-fuel production, distribution, storage, and end-use. Emitted pollutants accounted for included CO, CO2, H2, H2O, CH4, speciated ROGs, NOx, NH3, SOx, and speciated particulate matter. Results from the first scenario suggest that switching vehicles in the U.S. to hydrogen produced by steam-reforming of methane may reduce emission of NOx, reactive hydrocarbons, CO, CO2, BC, NO3-, and NH4+, but increase CH4, H2, and SO2 (slightly).The switch may also decrease O3 over most of the U.S. but short-term near-surfaces increases may occur over low-vegetated cities (e.g., in Los Angeles and along the Boston-Washington corridor) due to loss of NOx that otherwise titrates O3. The switch is also estimated to decrease PAN, HCHO, and several other pollutants formed in the atmosphere. Isoprene may increase since fewer oxidants (OH, O3) will be available to destroy it. Results for the scenarios involving hydrogen from wind and coal gasification, and from the hybrid scenario will also be discussed, as will regional climate effects (including effects of H2O). Findings to date suggest that, even under a worst-case scenario of 10% hydrogen leakage, the conversion of the current fleet to hydrogen-fuel cell vehicles, where hydrogen is generated by steam-reforming of methane, may result in a measurable improvement in U.S. air quality.

Interstellar molecules and dense clouds.

NASA Technical Reports Server (NTRS)

Rank, D. M.; Townes, C. H.; Welch, W. J.

1971-01-01

Current knowledge of the interstellar medium is discussed on the basis of recent published studies. The subjects considered include optical identification of interstellar molecules, radio molecular lines, interstellar clouds, isotopic abundances, formation and disappearance of interstellar molecules, and interstellar probing techniques. Diagrams are plotted for the distribution of galactic sources exhibiting molecular lines, for hydrogen molecule, hydrogen atom and electron abundances due to ionization, for the densities, velocities and temperature of NH3 in the direction of Sagitarius B2, for the lower rotational energy levels of H2CO, and for temporal spectral variations in masing H2O clouds of the radio source W49. Future applications of the maser and of molecular microscopy in this field are visualized.

Dynamic target ionization using an ultrashort pulse of a laser field

NASA Astrophysics Data System (ADS)

Makarov, D. N.; Matveev, V. I.; Makarova, K. A.

2014-09-01

Ionization processes under the interaction of an ultrashort pulse of an electromagnetic field with atoms in nonstationary states are considered. As an example, the ionization probability of the hydrogen-like atom upon the decay of quasi-stationary state is calculated. The method developed can be applied to complex systems, including targets in collisional states and various chemical reactions.

Research on materials for advanced electronic and aerospace application. [including optical and magnetic data processing, stress corrosion and H2 interaction, and polymeric systems

NASA Technical Reports Server (NTRS)

1975-01-01

Development and understanding of materials most suitable for use in compact magnetic and optical memory systems are discussed. Suppression of metal deterioration by hydrogen is studied. Improvement of mechanical properties of polymers is considered, emphasizing low temperature ductility and compatibility with high modulus fiber materials.

Composition and method for hydrogen storage

NASA Technical Reports Server (NTRS)

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

2004-01-01

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

Solid hydrogen coated graphite particles in the interstellar medium. I.

NASA Technical Reports Server (NTRS)

Swamy, K. S. K.; Wickramasinghe, N. C.

1969-01-01

Solid para hydrogen coated graphite particles expulsion into interstellar medium from star formation regions, considering mantles stability and particles extinction efficiency, albedo and phase function

In Process Measurement of Hydrogen in Welding

DTIC Science & Technology

1986-09-01

Specimen Geometry.........40 Figure 4.8 GTAW Diffusible Hydrogen Specimen Geometry .......... 40 Figure 4.9 Schematic of Specimen Outgassing Container for... GTAW ) and gas metal arc welding (GMAW) have the lowest potentials for hydrogen pickup, while -. the flux-cored arc welding (FCAW) and submerged arc...wire during welding which is the major source of hydrogen in GMAW and GTAW . Although the FCAW process was originally considered an intrinsi- cally low

Preliminary design of an auxiliary power unit for the space shuttle: Component and system configuration screening analysis

NASA Technical Reports Server (NTRS)

Binsley, R. L.; Maddox, J. P.; Marcy, R. D.; Siegler, R. S.; Spies, R.

1971-01-01

The auxiliary power unit (APU) for the space shuttle is required to provide hydraulic and electrical power on board the booster and orbiter vehicles. Five systems and their associated components, which utilize hot gas turbines to supply horsepower at gearbox output pads, were studied. Hydrogen-oxygen and storable propellants were considered for the hot gas supply. All APU's were required to be self-contained with respect to dissipating internally generated heat. These five systems were evaluated relative to a consistent criteria. The system supplied with high pressure gaseous hydrogen and oxygen was recommended as the best approach. It included a two-stage pressure-compounded partial-admission turbine, a propellant conditioning system with recuperation, a control system, and a gearbox. The gearbox output used was 240 hp. At the close of the study a 400 hp level was considered more appropriate for meeting the prime shuttle vehicle needs, and an in-depth analysis of the system at the 400 hp output level was recommended.

Hydrogen and dihydrogen bonding of transition metal hydrides

NASA Astrophysics Data System (ADS)

Jacobsen, Heiko

2008-04-01

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

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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 anmore » 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.« less

Exergetic life cycle assessment of hydrogen production from renewables

NASA Astrophysics Data System (ADS)

Granovskii, Mikhail; Dincer, Ibrahim; Rosen, Marc A.

Life cycle assessment is extended to exergetic life cycle assessment and used to evaluate the exergy efficiency, economic effectiveness and environmental impact of producing hydrogen using wind and solar energy in place of fossil fuels. The product hydrogen is considered a fuel for fuel cell vehicles and a substitute for gasoline. Fossil fuel technologies for producing hydrogen from natural gas and gasoline from crude oil are contrasted with options using renewable energy. Exergy efficiencies and greenhouse gas and air pollution emissions are evaluated for all process steps, including crude oil and natural gas pipeline transportation, crude oil distillation and natural gas reforming, wind and solar electricity generation, hydrogen production through water electrolysis, and gasoline and hydrogen distribution and utilization. The use of wind power to produce hydrogen via electrolysis, and its application in a fuel cell vehicle, exhibits the lowest fossil and mineral resource consumption rate. However, the economic attractiveness, as measured by a "capital investment effectiveness factor," of renewable technologies depends significantly on the ratio of costs for hydrogen and natural gas. At the present cost ratio of about 2 (per unit of lower heating value or exergy), capital investments are about five times lower to produce hydrogen via natural gas rather than wind energy. As a consequence, the cost of wind- and solar-based electricity and hydrogen is substantially higher than that of natural gas. The implementation of a hydrogen fuel cell instead of an internal combustion engine permits, theoretically, an increase in a vehicle's engine efficiency of about of two times. Depending on the ratio in engine efficiencies, the substitution of gasoline with "renewable" hydrogen leads to (a) greenhouse gas (GHG) emissions reductions of 12-23 times for hydrogen from wind and 5-8 times for hydrogen from solar energy, and (b) air pollution (AP) emissions reductions of 38-76 times for hydrogen from wind and 16-32 times for hydrogen from solar energy. By comparison, substitution of gasoline with hydrogen from natural gas allows reductions in GHG emissions only as a result of the increased efficiency of a fuel cell engine, and a reduction of AP emissions of 2.5-5 times. These data suggest that "renewable" hydrogen represents a potential long-term solution to many environmental problems.

Research on Liquid Management Technology in Water Tank and Reactor for Propulsion System with Hydrogen Production System Utilizing Aluminum and Water Reaction

NASA Astrophysics Data System (ADS)

Imai, Ryoji; Imamura, Takuya; Sugioka, Masatoshi; Higashino, Kazuyuki

2017-12-01

High pressure hydrogen produced by aluminum and water reaction is considered to be applied to space propulsion system. Water tank and hydrogen production reactor in this propulsion system require gas and liquid separation function under microgravity condition. We consider to install vane type liquid acquisition device (LAD) utilizing surface tension in the water tank, and install gas-liquid separation mechanism by centrifugal force which swirling flow creates in the hydrogen reactor. In water tank, hydrophilic coating was covered on both tank wall and vane surface to improve wettability. Function of LAD in water tank and gas-liquid separation in reaction vessel were evaluated by short duration microgravity experiments using drop tower facility. In the water tank, it was confirmed that liquid was driven and acquired on the outlet due to capillary force created by vanes. In addition of this, it was found that gas-liquid separation worked well by swirling flow in hydrogen production reactor. However, collection of hydrogen gas bubble was sometimes suppressed by aluminum alloy particles, which is open problem to be solved.

Hydrogen mobility in transition zone silicates

NASA Astrophysics Data System (ADS)

Caracas, Razvan; Panero, Wendy R.

2017-12-01

We study the hydrogen mobility in ringwoodite and wadsleyite considering multiple charge-balanced defects, including Mg < = > 2H, Si < = > Mg + 2H, and the hydrogarnet defect, Si < = > 4H, using molecular dynamics simulations based on the density functional theory at transition zone pressures and temperatures between 1500 and 2500 K. We determine the diffusion coefficients and study in detail the mechanism of hydrogen mobility during lengthy simulations. Our results show that temperature, water concentration, and defect mechanism have a significant effect on mobility. We find that the fastest diffusion is for the Mg < = > 2H defect, while H is more mobile when incorporated as Si < = > Mg + 2H than as hydrogarnet defects. The computed diffusivities for ringwoodite are larger than for wadsleyite: at 2000 K, diffusivity is 1.13 × 10-09 m2/s for ringwoodite compared to 0.93 × 10-09 m2/s for wadsleyite. In general, the hydrogen atoms spend on the order of tens of picoseconds or more trapped in or around the vacancy sites with net migration between sites over timescales of tens of femtoseconds. At 2500 K, some of these hydrogen excursions take place over several angstroms, while at 2000 K, they do not always result in net diffusion. At 1500 K, most of the defects fail to make excursions from their defect sites resulting in diffusion.

A Review of Fatigue Crack Growth for Pipeline Steels Exposed to Hydrogen

PubMed Central

Nanninga, N.; Slifka, A.; Levy, Y.; White, C.

2010-01-01

Hydrogen pipeline systems offer an economical means of storing and transporting energy in the form of hydrogen gas. Pipelines can be used to transport hydrogen that has been generated at solar and wind farms to and from salt cavern storage locations. In addition, pipeline transportation systems will be essential before widespread hydrogen fuel cell vehicle technology becomes a reality. Since hydrogen pipeline use is expected to grow, the mechanical integrity of these pipelines will need to be validated under the presence of pressurized hydrogen. This paper focuses on a review of the fatigue crack growth response of pipeline steels when exposed to gaseous hydrogen environments. Because of defect-tolerant design principles in pipeline structures, it is essential that designers consider hydrogen-assisted fatigue crack growth behavior in these applications. PMID:27134796

Safety Issues with Hydrogen as a Vehicle Fuel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cadwallader, Lee Charles; Herring, James Stephen

1999-10-01

This report is an initial effort to identify and evaluate safety issues associated with the use of hydrogen as a vehicle fuel in automobiles. Several forms of hydrogen have been considered: gas, liquid, slush, and hydrides. The safety issues have been discussed, beginning with properties of hydrogen and the phenomenology of hydrogen combustion. Safety-related operating experiences with hydrogen vehicles have been summarized to identify concerns that must be addressed in future design activities and to support probabilistic risk assessment. Also, applicable codes, standards, and regulations pertaining to hydrogen usage and refueling have been identified and are briefly discussed. This reportmore » serves as a safety foundation for any future hydrogen safety work, such as a safety analysis or a probabilistic risk assessment.« less

Safety Issues with Hydrogen as a Vehicle Fuel

DOE Office of Scientific and Technical Information (OSTI.GOV)

L. C. Cadwallader; J. S. Herring

1999-09-01

This report is an initial effort to identify and evaluate safety issues associated with the use of hydrogen as a vehicle fuel in automobiles. Several forms of hydrogen have been considered: gas, liquid, slush, and hydrides. The safety issues have been discussed, beginning with properties of hydrogen and the phenomenology of hydrogen combustion. Safety-related operating experiences with hydrogen vehicles have been summarized to identify concerns that must be addressed in future design activities and to support probabilistic risk assessment. Also, applicable codes, standards, and regulations pertaining to hydrogen usage and refueling have been identified and are briefly discussed. This reportmore » serves as a safety foundation for any future hydrogen safety work, such as a safety analysis or a probabilistic risk assessment.« less

Prospects on hydrogen production for a generalized domestic, industrial and automotive, usage

NASA Astrophysics Data System (ADS)

Dini, D.

Assuming the availability of advanced nuclear and solar systems as prime energy sources for electrolytic production of hydrogen, an assessment is made of high pressure electrolytic gasification, liquefaction and storage work requirements. Also, a pipeline network and associated equipment for the delivery and storage of hydrogen are considered in the context of a future replacement of all fossil fuels by hydrogen. Attention is given to space-based systems and terrestrial photovoltaics.

Elementary defects in graphane

NASA Astrophysics Data System (ADS)

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

2017-07-01

The main zero-dimensional defects in graphane, a completely hydrogenated single-layer graphene, having the chair-type conformation have been numerically simulated. The hydrogen and carbon-hydrogen vacancies, Stone-Wales defect, and "transmutation defect" resulting from the simultaneous hoppings of two hydrogen atoms between the neighboring carbon atoms have been considered. The energies of formations of these defects have been calculated and their effect on the electronic structure, phonon spectra, and Young modulus has been studied.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ogden, J.M.; Steinbugler, M.; Dennis, E.

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 andmore » 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.« less

Hydrogen sensor

DOEpatents

Duan, Yixiang; Jia, Quanxi; Cao, Wenqing

2010-11-23

A hydrogen sensor for detecting/quantitating hydrogen and hydrogen isotopes includes a sampling line and a microplasma generator that excites hydrogen from a gas sample and produces light emission from excited hydrogen. A power supply provides power to the microplasma generator, and a spectrometer generates an emission spectrum from the light emission. A programmable computer is adapted for determining whether or not the gas sample includes hydrogen, and for quantitating the amount of hydrogen and/or hydrogen isotopes are present in the gas sample.

Commissioning of cryogenic system for China Spallation Neutron Source

NASA Astrophysics Data System (ADS)

Ye, Bin; He, Chongchao; Li, Na; Ding, Meiying; Wang, Yaqiong; Yu, Zhang; He, Kun

2017-12-01

China Spallation Neutron Source(CSNS) cryogenic system provides supercritical cryogenic hydrogen to neutron moderators, including a helium refrigerator, hydrogen loop and hydrogen safety equipment. The helium refrigerator is provided by Linde with cooling capacity of 2200 W at 20 K. Hydrogen loop system mainly includes cryogenic hydrogen pipes, hydrogen circulator cold-box and accumulator cold-box. Cryogenic hydrogen pump, ortho-para convertor, helium-hydrogen heat-exchanger, hydrogen heater and accumulator are integrated in hydrogen circulation cold-box, and accumulator cold-box. Hydrogen safety equipment includes safety valves, rupture disk, hydrogen sensor, flame detector and other equipment to ensure that cryogenic system in dangerous situations will go down, vents, or takes other measures. The cryogenic system commissioning work includes four steps. First, in order to test the refrigerating capacity of refrigerator, when acceptance testing, refrigerator internal heater was used as thermal load. Second, using simulation load as heat load of moderator, hydrogen loop use helium instead of hydrogen, and cooled down to 20 K, then re-warming and test the leak detection of hydrogen loop system. Third, base on the step 2, using hydrogen as working medium, and optimized the control logic. Forth, cryogenic system with the moderators joint commissioning. Now, cryogenic system is connected with the moderators, and the forth step will be carried out in the near future.

Technical and economic aspects of hydrogen storage in metal hydrides

NASA Technical Reports Server (NTRS)

Schmitt, R.

1981-01-01

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

Catalytic dehydrogenation of amine borane complexes

NASA Technical Reports Server (NTRS)

Mohajeri, Nahid (Inventor); Tabatabaie-Raissi, Ali (Inventor)

2007-01-01

A method of generating hydrogen includes the steps of providing an amine borane (AB) complex, at least one hydrogen generation catalyst, and a solvent, and mixing these components. Hydrogen is generated. The hydrogen produced is high purity hydrogen suitable for PEM fuel cells. A hydrolytic in-situ hydrogen generator includes a first compartment that contains an amine borane (AB) complex, a second container including at least one hydrogen generation catalyst, wherein the first or second compartment includes water or other hydroxyl group containing solvent. A connecting network permits mixing contents in the first compartment with contents in the second compartment, wherein high purity hydrogen is generated upon mixing. At least one flow controller is provided for controlling a flow rate of the catalyst or AB complex.

Catalytic dehydrogenation of amine borane complexes

NASA Technical Reports Server (NTRS)

Tabatabaie-Raissi, Ali (Inventor); Mohajeri, Nahid (Inventor); Bokerman, Gary (Inventor)

2009-01-01

A method of generating hydrogen includes the steps of providing an amine borane (AB) complex, at least one hydrogen generation catalyst, and a solvent, and mixing these components Hydrogen is generated. The hydrogen produced is high purity hydrogen suitable for PEM fuel cells. A hydrolytic in-situ hydrogen generator includes a first compartment that contains an amine borane (AB) complex, a second container including at least one hydrogen generation catalyst, wherein the first or second compartment includes water or other hydroxyl group containing solvent. A connecting network permits mixing contents in the first compartment with contents in the second compartment, wherein high purity hydrogen is generated upon mixing. At least one flow controller is provided for controlling a flow rate of the catalyst or AB complex.

Thermodynamic design of hydrogen liquefaction systems with helium or neon Brayton refrigerator

NASA Astrophysics Data System (ADS)

Chang, Ho-Myung; Ryu, Ki Nam; Baik, Jong Hoon

2018-04-01

A thermodynamic study is carried out for the design of hydrogen liquefaction systems with helium (He) or neon (Ne) Brayton refrigerator. This effort is motivated by our immediate goal to develop a small-capacity (100 L/h) liquefier for domestic use in Korea. Eight different cycles are proposed and their thermodynamic performance is investigated in comparison with the existing liquefaction systems. The proposed cycles include the standard and modified versions of He Brayton refrigerators whose lowest temperature is below 20 K. The Brayton refrigerator is in direct thermal contact with the hydrogen flow at atmospheric pressure from ambient-temperature gas to cryogenic liquid. The Linde-Hampson system pre-cooled by a Ne Brayton refrigerator is also considered. Full cycle analysis is performed with the real properties of fluids to estimate the figure of merit (FOM) under an optimized operation condition. It is concluded that He Brayton refrigerators are feasible for this small-scale liquefaction, because a reasonably high efficiency can be achieved with simple and safe (low-pressure) operation. The complete cycles with He Brayton refrigerator are presented for the development of a prototype, including the ortho-to-para conversion.

Enhancing hydrogen spillover and storage

DOEpatents

Yang, Ralph T [Ann Arbor, MI; Li, Yingwel [Ann Arbor, MI; Lachawiec, Jr., Anthony J.

2011-05-31

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

Enhancing hydrogen spillover and storage

DOEpatents

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

2013-02-12

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

Risk Assessment for Titanium Pressure Vessels Operating Inside the ARES I's Liquid Hydrogen Tank Environment

NASA Technical Reports Server (NTRS)

Lee, Jonathan A.

2008-01-01

Titanium alloy (Ti-6-4) is currently being proposed for the manufacturing of pressure vessels (PV) for storage of compressed helium gas, which are mounted inside the ARES I's liquid hydrogen (LH2) tank. At cryogenic temperature, titanium alloys usually have the highest strength-to-weight ratio property and have been considered as the metallic materials of choice for lightweight PV operating in LH2 environment. Titanium PV s are also considered as heritage hardware because they have been used by NASA for the Saturn IV-B rocket s LH2 tank in the mid 1960 s. However, hydrogen embrittlement is possible if Ti-6-4 alloy is exposed to gaseous hydrogen at certain pressure and temperature during the LH2 tank filling and draining operations on the launch pad, and during the J2X engine burn period for the ARES I s upper stage. Additionally, the fracture toughness and ductility properties of Ti-6-4 are significantly decreased at cryogenic temperature. These factors do not necessary preclude the use of titanium PV in hydrogen or at cryogenic applications; however, their synergistic effects and the material damage tolerance must be accounted for in the mission life assessment for PV s, which are considered as fracture critical hardware. In this paper, an overview of the risk assessment for Ti-6-4 alloy, strategy to control hydrogen embrittlement and brief metallic material trade study for PV operating in LH2 tank will be presented.

Surface Passivation and Junction Formation Using Low Energy Hydrogen Implants

NASA Technical Reports Server (NTRS)

Fonash, S. J.

1985-01-01

New applications for high current, low energy hydrogen ion implants on single crystal and polycrystal silicon grain boundaries are discussed. The effects of low energy hydrogen ion beams on crystalline Si surfaces are considered. The effect of these beams on bulk defects in crystalline Si is addressed. Specific applications of H+ implants to crystalline Si processing are discussed. In all of the situations reported on, the hydrogen beams were produced using a high current Kaufman ion source.

Distribution and Kinematics of Ionized Gas in the central 500pc of Seyfert Galaxies

NASA Astrophysics Data System (ADS)

Hyland, Ella; Hicks, Erin K. S.; Kade, Kiana

2018-06-01

We have characterized the spatial distribution and kinematics of the ionized hydrogen gas in a sample of 40 Seyfert galaxies as part of the KONA (Keck OSIRIS Nearby AGN) survey. An analysis of the narrow Brackett Gamma emission (2.16 microns) in the central 500 pc of these local AGN will be presented. Measurements include the azimuthal averages of the flux distribution, velocity dispersion, and emission line equivalent width. In addition, the excitation of the Brackett Gamma emission is considered using the ratio of its flux with that of molecular hydrogen (2.12 microns) as a diagnostic. A comparison of the circumnuclear narrow Brackett Gamma emission characteristics in the Seyfert type 1 and type 2 subsamples will also be presented.

Theoretical study on complexation of the perchlorate, permanganate, pertechnate and perrhenate anions with dodecabenzylbambus[6]uril

NASA Astrophysics Data System (ADS)

Böhm, Stanislav; Makrlík, Emanuel; Vaňura, Petr

2017-07-01

By using quantum chemical calculations, the most probable structures of the anionic complex species dodecabenzylbambus[6]uril-ClO4-, dodecabenzylbambus[6]uril-MnO4-, dodecabenzylbambus[6]uril-TcO4- and dodecabenzylbambus[6]uril-ReO4- were derived. In these four complexes, each of the considered anions, included in the macrocyclic cavity, is bound by 12 weak hydrogen bonds between methine hydrogen atoms on the convex face of glycoluril units and the respective anion. Further, the corresponding interaction energies of the investigated four anionic complexes were calculated; the absolute values of these calculated energies increase in the series of ReO4- < TcO4- < MnO4- < ClO4-.

Review of Supported Pd-Based Membranes Preparation by Electroless Plating for Ultra-Pure Hydrogen Production

PubMed Central

Alique, David; Martinez-Diaz, David; Sanz, Raul

2018-01-01

In the last years, hydrogen has been considered as a promising energy vector for the oncoming modification of the current energy sector, mainly based on fossil fuels. Hydrogen can be produced from water with no significant pollutant emissions but in the nearest future its production from different hydrocarbon raw materials by thermochemical processes seems to be more feasible. In any case, a mixture of gaseous compounds containing hydrogen is produced, so a further purification step is needed to purify the hydrogen up to required levels accordingly to the final application, i.e., PEM fuel cells. In this mean, membrane technology is one of the available separation options, providing an efficient solution at reasonable cost. Particularly, dense palladium-based membranes have been proposed as an ideal chance in hydrogen purification due to the nearly complete hydrogen selectivity (ideally 100%), high thermal stability and mechanical resistance. Moreover, these membranes can be used in a membrane reactor, offering the possibility to combine both the chemical reaction for hydrogen production and the purification step in a unique device. There are many papers in the literature regarding the preparation of Pd-based membranes, trying to improve the properties of these materials in terms of permeability, thermal and mechanical resistance, poisoning and cost-efficiency. In this review, the most relevant advances in the preparation of supported Pd-based membranes for hydrogen production in recent years are presented. The work is mainly focused in the incorporation of the hydrogen selective layer (palladium or palladium-based alloy) by the electroless plating, since it is one of the most promising alternatives for a real industrial application of these membranes. The information is organized in different sections including: (i) a general introduction; (ii) raw commercial and modified membrane supports; (iii) metal deposition insights by electroless-plating; (iv) trends in preparation of Pd-based alloys, and, finally; (v) some essential concluding remarks in addition to futures perspectives. PMID:29360777

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

DOEpatents

Fliermans,; Carl, B [Augusta, GA

2012-08-07

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

Borazine-boron nitride hybrid hydrogen storage system

DOEpatents

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.

Determination of anabolic steroids with gas chromatography-ion trap mass spectrometry using hydrogen as carrier gas.

PubMed

Impens, S; De Wasch, K; De Brabander, H

2001-01-01

Helium is considered to be the ideal carrier gas for gas chromatography/mass spectrometry (GC/MS) in general, and for use with an ion trap in particular. Helium is an inert gas, can be used without special precautions for security and, moreover, it is needed as a damping gas in the trap. A disadvantage of helium is the high viscosity resulting in long GC run times. In this work hydrogen was tested as an alternative carrier gas for GC in performing GC/MS analyses. A hydrogen generator was used as a safe source of hydrogen gas. It is demonstrated that hydrogen can be used as a carrier gas for the gas chromatograph in combination with helium as make-up gas for the trap. The analysis time was thus shortened and the chromatographic performance was optimized. Although hydrogen has proven useful as a carrier gas in gas chromatography coupled to standard detectors such as ECD or FID, its use is not mentioned extensively in the literature concerning gas chromatography-ion trap mass spectrometry. However, it is worth considering as a possibility because of its chromatographic advantages and its advantageous price when using a hydrogen generator. Copyright 2001 John Wiley & Sons, Ltd.

Atomic dark matter with hyperfine interactions

NASA Astrophysics Data System (ADS)

Boddy, Kimberly K.; Kaplinghat, Manoj; Kwa, Anna; Peter, Annika H. G.

2017-11-01

We consider dark matter as an analog of hydrogen in a secluded sector and study its astrophysical implications. The self interactions between dark matter particles include elastic scatterings as well as inelastic processes from hyperfine transitions. We show that for a dark hydrogen mass in the 10-100 GeV range and a dark fine-structure constant larger than 0.01, the self-interaction cross section has the right magnitude and velocity dependence to explain the low dark matter density cores seen in small galaxies while being consistent with all constraints from observations of galaxy clusters. Excitations to the hyperfine state and subsequent decays, however, may cause significant cooling losses and affect the evolution of low-mass halos. We also find minimum halo masses in the range of 103.5-107 M⊙, which are significantly larger than the typical predictions for weakly interacting dark matter models. This pattern of observables in structure formation is unique to this model, making it possible to determine the viability of hidden-sector hydrogen as a dark matter candidate.

Safety Evaluation of Polyethylene Glycol (PEG) Compounds for Cosmetic Use

PubMed Central

Shin, Chan Young; Kim, Kyu-Bong

2015-01-01

Polyethylene glycols (PEGs) are products of condensed ethylene oxide and water that can have various derivatives and functions. Since many PEG types are hydrophilic, they are favorably used as penetration enhancers, especially in topical dermatological preparations. PEGs, together with their typically nonionic derivatives, are broadly utilized in cosmetic products as surfactants, emulsifiers, cleansing agents, humectants, and skin conditioners. The compounds studied in this review include PEG/PPG-17/6 copolymer, PEG-20 glyceryl triisostearate, PEG-40 hydrogenated castor oil, and PEG-60 hydrogenated castor oil. Overall, much of the data available in this review are on PEGylated oils (PEG-40 and PEG-60 hydrogenated castor oils), which were recommended as safe for use in cosmetics up to 100% concentration. Currently, PEG-20 glyceryl triisostearate and PEGylated oils are considered safe for cosmetic use according to the results of relevant studies. Additionally, PEG/PPG-17/6 copolymer should be further studied to ensure its safety as a cosmetic ingredient. PMID:26191379

Homogeneous Reduction of Carbon Dioxide with Hydrogen.

PubMed

Dong, Kaiwu; Razzaq, Rauf; Hu, Yuya; Ding, Kuiling

2017-04-01

Carbon dioxide (CO 2 ), a key greenhouse gas produced from both anthropogenic and natural sources, has been recently considered to be an important C1 building-block for the synthesis of many industrial fuels and chemicals. Catalytic hydrogenation of CO 2 using a homogeneous system is regarded as an efficient process for CO 2 valorization. This approach leads to the direct products including formic acid (HCOOH), carbon monoxide (CO), methanol (MeOH), and methane (CH 4 ). The hydrogenation of CO 2 to CO followed by alkene carbonylation provides value-added compounds, which also avoids the tedious separation and transportation of toxic CO. Moreover, the reduction of CO 2 with H 2 in the presence of amines is of significance to attain fine chemicals through catalytic formylation and methylation reactions. The synthesis of higher alcohols and dialkoxymethane from CO 2 and H 2 has been demonstrated recently, which opens access to new molecular structures using CO 2 as an important C1 source.

2D Transition-Metal-Dichalcogenide-Nanosheet-Based Composites for Photocatalytic and Electrocatalytic Hydrogen Evolution Reactions.

PubMed

Lu, Qipeng; Yu, Yifu; Ma, Qinglang; Chen, Bo; Zhang, Hua

2016-03-09

Hydrogen (H2) is one of the most important clean and renewable energy sources for future energy sustainability. Nowadays, photocatalytic and electrocatalytic hydrogen evolution reactions (HERs) from water splitting are considered as two of the most efficient methods to convert sustainable energy to the clean energy carrier, H2. Catalysts based on transition metal dichalcogenides (TMDs) are recognized as greatly promising substitutes for noble-metal-based catalysts for HER. The photocatalytic and electrocatalytic activities of TMD nanosheets for the HER can be further improved after hybridization with many kinds of nanomaterials, such as metals, oxides, sulfides, and carbon materials, through different methods including the in situ reduction method, the hot-injection method, the heating-up method, the hydro(solvo)thermal method, chemical vapor deposition (CVD), and thermal annealing. Here, recent progress in photocatalytic and electrocatalytic HERs using 2D TMD-based composites as catalysts is discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cellular Automaton Study of Hydrogen Porosity Evolution Coupled with Dendrite Growth During Solidification in the Molten Pool of Al-Cu Alloys

NASA Astrophysics Data System (ADS)

Gu, Cheng; Wei, Yanhong; Yu, Fengyi; Liu, Xiangbo; She, Lvbo

2017-09-01

Welding porosity defects significantly reduce the mechanical properties of welded joints. In this paper, the hydrogen porosity evolution coupled with dendrite growth during solidification in the molten pool of Al-4.0 wt pct Cu alloy was modeled and simulated. Three phases, including a liquid phase, a solid phase, and a gas phase, were considered in this model. The growth of dendrites and hydrogen gas pores was reproduced using a cellular automaton (CA) approach. The diffusion of solute and hydrogen was calculated using the finite difference method (FDM). Columnar and equiaxed dendrite growth with porosity evolution were simulated. Competitive growth between different dendrites and porosities was observed. Dendrite morphology was influenced by porosity formation near dendrites. After solidification, when the porosities were surrounded by dendrites, they could not escape from the liquid, and they made pores that existed in the welded joints. With the increase in the cooling rate, the average diameter of porosities decreased, and the average number of porosities increased. The average diameter of porosities and the number of porosities in the simulation results had the same trend as the experimental results.

A biosensor for hydrogen peroxide detection based on electronic properties of carbon nanotubes

NASA Astrophysics Data System (ADS)

Majidi, Roya

2013-01-01

Density functional theory has been used to study the effect of hydrogen peroxide on the electronic properties of single walled carbon nanotubes. The metallic and semiconducting carbon nanotubes have been considered in the presence of different number of hydrogen peroxide. The results indicate that hydrogen peroxide has no significant effect on the metallic nanotube and these nanotubes remain to be metallic. In contrast, the electronic properties of the semiconducting nanotubes are so sensitive to hydrogen peroxide. The energy band gap of these nanotubes is decreased by increasing the number of hydrogen peroxide. The electronic sensivity of the carbon nanotubes to hydrogen peroxide opens new insights into developing biosensors based on the single walled carbon nanotubes.

Numerology, hydrogenic levels, and the ordering of excited states in one-electron atoms

NASA Astrophysics Data System (ADS)

Armstrong, Lloyd, Jr.

1982-03-01

We show that the observed ordering of Rydberg states of one-electron atoms can be understood by assuming that these states are basically hydrogenic in nature. Much of the confusion concerning this point is shown to arise from the failure to differentiate between hydrogenic ordering as the nuclear charge approaches infinity, and hydrogenic ordering for an effective charge of one. The origin of κ ordering of Rydberg levels suggested by Sternheimer is considered within this picture, and the predictions of κ ordering are compared with those obtained by assuming hydrogenic ordering.

New horizons in chemical propulsion. [processes using free radicals, atomic hydrogen, excited species, etc

NASA Technical Reports Server (NTRS)

Cohen, W.

1973-01-01

After a review of the work of the late-Fifties on free radicals for propulsion, it is concluded that atomic hydrogen would provide a potentially large increase in specific impulse. Work conducted to find an approach for isolating atomic hydrogen is considered. Other possibilities for obtaining propellants of greatly increased capability might be connected with the technology for the generation of activated states of gases, metallic hydrogen, fuels obtained from other planets, and laser transfer of energy.

Proceedings of the Joint Seminar; Hydrogen Management in Steel Weldments, Melbourne, Australia, 23rd October 1996.

DTIC Science & Technology

1997-01-01

Cr-Mo quenched and tempered (Q&T) steel . Both A723 Grade 1 and Grade 2 compositions were evaluated to determine the effects of strength, composition ...15] Craig, B., "Limitations of Alloying to Improve the Threshold for Hydrogen Stress Cracking of Steels ", Hydrogen Effects on Material Behavior ...considered are as follows: 1. Hydrogen mass transfer in steels and welded joints: analytical equipment; effect of element composition of weld metal and

Materials for foam type insulation

NASA Technical Reports Server (NTRS)

Hill, W. E.

1971-01-01

An internal foam fabrication is one of the concepts being considered for cryogenic insulation on the hydrogen tanks of the shuttle vehicle. The three-dimensional polyurethane used on the S-4 B tanks failed to meet the higher temperature requirements of the shuttle vehicle, however, and other foams under consideration include polyisocyanurates, polyphenylene oxides, polyimides, and polybenzimidazoles. Improved adhesive systems for attaching the foams to the interior tank wall are under study.

Analytical Modeling and Test Correlation of Variable Density Multilayer Insulation for Cryogenic Storage

NASA Technical Reports Server (NTRS)

Hastings, L. J.; Hedayat, A.; Brown, T. M.

2004-01-01

A unique foam/multilayer insulation (MLI) combination concept for orbital cryogenic storage was experimentally evaluated using a large-scale hydrogen tank. The foam substrate insulates for ground-hold periods and enables a gaseous nitrogen purge as opposed to helium. The MLI, designed for an on-orbit storage period for 45 days, includes several unique features including a variable layer density and larger but fewer perforations for venting during ascent to orbit. Test results with liquid hydrogen indicated that the MLI weight or tank heat leak is reduced by about half in comparison with standard MLI. The focus of this effort is on analytical modeling of the variable density MLI (VD-MLI) on-orbit performance. The foam/VD-MLI model is considered to have five segments. The first segment represents the optional foam layer. The second, third, and fourth segments represent three different MLI layer densities. The last segment is an environmental boundary or shroud that surrounds the last MLI layer. Two approaches are considered: a variable density MLI modeled layer by layer and a semiempirical model or "modified Lockheed equation." Results from the two models were very comparable and were within 5-8 percent of the measured data at the 300 K boundary condition.

Synthesis of hydrogen-carbon clathrate material and hydrogen evolution therefrom at moderate temperatures and pressures

DOEpatents

Lueking, Angela [State College, PA; Narayanan, Deepa [Redmond, WA

2011-03-08

A process for making a hydrogenated carbon material is provided which includes forming a mixture of a carbon source, particularly a carbonaceous material, and a hydrogen source. The mixture is reacted under reaction conditions such that hydrogen is generated and/or released from the hydrogen source, an amorphous diamond-like carbon is formed, and at least a portion of the generated and/or released hydrogen associates with the amorphous diamond-like carbon, thereby forming a hydrogenated carbon material. A hydrogenated carbon material including a hydrogen carbon clathrate is characterized by evolution of molecular hydrogen at room temperature at atmospheric pressure in particular embodiments of methods and compositions according to the present invention.

2010 Annual Progress Report DOE Hydrogen Program

DOE Office of Scientific and Technical Information (OSTI.GOV)

None, None

This report summarizes the hydrogen and fuel cell R&D activities and accomplishments in FY2009 for the DOE Hydrogen Program, including the Hydrogen, Fuel Cells, and Infrastructure Technologies Program and hydrogen-related work in the Offices of Science; Fossil Energy; and Nuclear Energy, Science, and Technology. It includes reports on all of the research projects funded by the DOE Hydrogen Program between October 2009 and September 2010.

Engineering Analysis Studies for Preliminary Design of Lightweight Cryogenic Hydrogen Tanks in UAV Applications

NASA Technical Reports Server (NTRS)

Sullivan, Roy M.; Palko, Joseph L.; Tornabene, Robert T.; Bednarcyk, Brett A.; Powers, Lynn M.; Mital, Subodh K.; Smith, Lizalyn M.; Wang, Xiao-Yen J.; Hunter, James E.

2006-01-01

A series of engineering analysis studies were conducted to investigate the potential application of nanoclay-enhanced graphite/epoxy composites and polymer cross-linked silica aerogels in cryogenic hydrogen storage tank designs. This assessment focused on the application of these materials in spherical tank designs for unmanned aeronautic vehicles with mission durations of 14 days. Two cryogenic hydrogen tank design concepts were considered: a vacuum-jacketed design and a sandwiched construction with an aerogel insulating core. Analyses included thermal and structural analyses of the tank designs as well as an analysis of hydrogen diffusion to specify the material permeability requirements. The analyses also provided material property targets for the continued development of cross-linked aerogels and nanoclay-enhanced graphite/epoxy composites for cryogenic storage tank applications. The results reveal that a sandwiched construction with an aerogel core is not a viable design solution for a 14-day mission. A vacuum-jacketed design approach was shown to be far superior to an aerogel. Aerogel insulation may be feasible for shorter duration missions. The results also reveal that the application of nanoclay-enhanced graphite/epoxy should be limited to the construction of outer tanks in a vacuum-jacketed design, since a graphite/epoxy inner tank does not provide a significant weight savings over aluminum and since the ability of nanoclay-enhanced graphite/epoxy to limit hydrogen permeation is still in question.

Thermodynamic analyses of hydrogen production from sub-quality natural gas. Part I: Pyrolysis and autothermal pyrolysis

NASA Astrophysics Data System (ADS)

Huang, Cunping; T-Raissi, Ali

Sub-quality natural gas (SQNG) is defined as natural gas whose composition exceeds pipeline specifications of nitrogen, carbon dioxide (CO 2) and/or hydrogen sulfide (H 2S). Approximately one-third of the U.S. natural gas resource is sub-quality gas [1]. Due to the high cost of removing H 2S from hydrocarbons using current processing technologies, SQNG wells are often capped and the gas remains in the ground. We propose and analyze a two-step hydrogen production scheme using SQNG as feedstock. The first step of the process involves hydrocarbon processing (via steam-methane reformation, autothermal steam-methane reformation, pyrolysis and autothermal pyrolysis) in the presence of H 2S. Our analyses reveal that H 2S existing in SQNG is stable and can be considered as an inert gas. No sulfur dioxide (SO 2) and/or sulfur trioxide (SO 3) is formed from the introduction of oxygen to SQNG. In the second step, after the separation of hydrogen from the main stream, un-reacted H 2S is used to reform the remaining methane, generating more hydrogen and carbon disulfide (CS 2). Thermodynamic analyses on SQNG feedstock containing up to 10% (v/v) H 2S have shown that no H 2S separation is required in this process. The Part I of this paper includes only thermodynamic analyses for SQNG pyrolysis and autothermal pyrolysis.

Show me the road to hydrogen : non-destructive evaluation (NDE)

DOT National Transportation Integrated Search

2008-02-01

Information is lacking about failure mechanisms associated with various hydrogen transportation systems, the types of typical failures, and critical locations where they may occur. Although one may consider these systems to be related to carbon-reinf...

Water in Earth's mantle: Hydrogen analysis of mantle olivine, pyroxenes and garnet using the SIMS

NASA Technical Reports Server (NTRS)

Kurosawa, Masanori; Yurimoto, Hisayoshi; Sueno, Shigeho

1993-01-01

Hydrogen (or water) in the Earth's interior plays a key role in the evolution and dynamics of the planet. However, the abundance and the existence form of the hydrogen have scarcely been clear in practice. Hydrogen in the mantle was incorporated in the interior during the formation of the Earth. The incorporated hydrogen was hardly possible to concentrate locally inside the Earth considering its high mobility and high reactivity. The hydrogen, preferably, could be distributed homogeneously over the mantle and the core by the subsequent physical and chemical processes. Therefore, hydrogen in the mantle could be present in the form of trace hydrogen in nominally anhydrous mantle minerals. The hydrogen and the other trace elements in mantle olivines, orthopyroxenes, clinopyroxenes, and garnets were determined using secondary ion mass spectrometry (SIMS) for elucidating (1) the exact hydrogen contents, (2) the correlation between the hydrogen and the other trace elements, (3) the dependence of the hydrogen contents on the depth, and (4) the dependence of the whole rock water contents on the depth.

Organic salts formed by 2,4,6-triaminopyrimidine and selected carboxylic acids via a variety of hydrogen bonds: Synthons cooperation, and crystal structures

NASA Astrophysics Data System (ADS)

Xing, Peiqi; Li, Qingyun; Li, Yingying; Wang, Kunpeng; Zhang, Qi; Wang, Lei

2017-05-01

By using solvent evaporation method, 2,4,6-triaminopyrimidine (TAPI) is employed to crystallize with a variety of acids, including 3,5-dihydroxybenzoic acid (HDHBA), 3-nitrophthalic acid (H2NPA), 5-amino-2,4,6-triiodoisophthalic acid (H2ATIPIA), 2,5-dibromoterephthalic acid (H2DBTPA), 1,5-naphthalenedisulfonic acid (H2NDSA), sebacic acid (H2SA), 1,2,4-benzenetricarboxylic acid (H3BTA), and biphenyl-2,2‧,5,5'-tetracarboxylic acid (H4BPTA). In all eight complexes, protons are completely exchanged from O atom of acid to nitrogen of TAPI in 1, 3, 4, and, 5, partly transferred in 2, 6, 7, and 8. The crystal structure of all eight complexes exhibit that classical robust hydrogen bonds X-H⋯X (X = O/N) direct the molecular crystals to bind together in a stacking modes. Classical hydrogen bond Nsbnd H⋯O is participated in forming all eight organic salts, while hydrogen bonding Osbnd H⋯O are found in constructing the diversity structures in salts 1, 2, 3, 4, 6, and 7. The analysis shows that some classical supramolecular synthons, such as I R22(8), V R24(12), and VI S(6), are observed again in the construction of hydrogen-bonding networks. In the formation of layered and reticular structure, strong hydrogen bonds between water molecules and ligands having well-refined hydrogen atoms have been considered. Water molecules play an important role in building supramolecular structures of 1, 2, 3, 4, 7, and 8. Moreover, salts 1-8 are further characterized and analyzed by element analysis, infrared radiation, thermogravimetric analysis, proton nuclear magnetic resonance spectra, and mass spectra.

Thermal Analysis on Cryogenic Liquid Hydrogen Tank on an Unmanned Aerial Vehicle System

NASA Technical Reports Server (NTRS)

Wang, Xiao-Yen; Harpster, George; Hunter, James

2007-01-01

Thermal analyses are performed on the liquid hydrogen (LH2) tank designed for an unmanned aerial vehicle (UAV) powered by solar arrays and a regenerative proton-exchange membrane (PEM) fuel cell. A 14-day cruise mission at a 65,000 ft altitude is considered. Thermal analysis provides the thermal loads on the tank system and the boiling-off rates of LH2. Different approaches are being considered to minimize the boiling-off rates of the LH2. It includes an evacuated multilayer insulation (MLI) versus aerogel insulation on the LH2 tank and aluminum versus stainless steel spacer rings between the inner and outer tank. The resulting boil-off rates of LH2 provided by the one-dimensional model and three-dimensional finite element analysis (FEA) on the tank system are presented and compared to validate the results of the three-dimensional FEA. It concludes that heat flux through penetrations by conduction is as significant as that through insulation around the tank. The tank system with MLI insulation and stainless steel spacer rings result in the lowest boiling-off rate of LH2.

Hydrogen chemistry - Perspective on experiment and theory. [atmospheric chemistry

NASA Technical Reports Server (NTRS)

Kaufman, F.

1975-01-01

A review is presented of the advantages and limitations of various experimental methods for the investigation of the kinetics of hydrogen chemistry, including classic thermal and photochemical methods and the crossed molecular beam method. Special attention is given to the flash photolysis-resonance fluorescence apparatus developed by Braun et al, in which repetitive vacuum UV flashes result in the photolytic generation of the desired species, and to the discharge-flow technique. The use of various theoretical methods for the selection or elimination of kinetic data is considered in a brief discussion of the rate theory of two-body encounters and recombination-dissociation processes in neutral reactions. Recent kinetic studies of a series of OH reactions and of a major loss process for odd H in the stratosphere are summarized.

On the effects of basis set truncation and electron correlation in conformers of 2-hydroxy-acetamide

NASA Astrophysics Data System (ADS)

Szarecka, A.; Day, G.; Grout, P. J.; Wilson, S.

Ab initio quantum chemical calculations have been used to study the differences in energy between two gas phase conformers of the 2-hydroxy-acetamide molecule that possess intramolecular hydrogen bonding. In particular, rotation around the central C-C bond has been considered as a factor determining the structure of the hydrogen bond and stabilization of the conformer. Energy calculations include full geometiy optimization using both the restricted matrix Hartree-Fock model and second-order many-body perturbation theory with a number of commonly used basis sets. The basis sets employed ranged from the minimal STO-3G set to [`]split-valence' sets up to 6-31 G. The effects of polarization functions were also studied. The results display a strong basis set dependence.

Energy transfer by radiation in non-grey atomic gases in isothermal and non-isothermal slabs

NASA Technical Reports Server (NTRS)

Poon, P. T. Y.

1975-01-01

A multiband model for the absorption coefficient of atomic hydrogen-helium plasmas is constructed which includes continuum and line contributions. Emission from 28 stronger lines of 106 that have been screened is considered, of which 21 are from hydrogen and 7 belong to helium, with reabsorption due to line-line, line-continuum overlap accurately accounted for. The model is utilized in the computation of intensities and fluxes from shock-heated slabs of 85% H2-15% He mixtures for slab thicknesses from 1 to 30 cm, temperature from 10,000 to 20,000 K, and for different densities. In conjunction with the multiband model, simple numerical schemes have been devised which provide a quick and comprehensive way of computing radiative energy transfer in nonisothermal and nongrey gases.

Analytical Modeling of Variable Density Multilayer Insulation for Cryogenic Storage

NASA Technical Reports Server (NTRS)

Hedayat, A.; Hastings, L. J.; Brown, T.; Cruit, Wendy (Technical Monitor)

2001-01-01

A unique foam/Multilayer Insulation (MLI) combination concept for orbital cryogenic storage was experimentally evaluated at NASA Marshall Space Flight Center (MSFC) using the Multipurpose Hydrogen Test Bed (MHTB). The MLI was designed for an on-orbit storage period of 45 days and included several unique features such as: a variable layer density and larger but fewer perforations for venting during ascent to orbit. Test results with liquid hydrogen indicated that the MLI weight or heat leak is reduced by about half in comparison with standard MLI. The focus of this paper is on analytical modeling of the Variable Density MLI (VD-MLI) on-orbit performance (i.e. vacuum/low pressure environment). The foam/VD-MLI combination model is considered to have five segments. The first segment represents the optional foam layer. The second, third, and fourth segments represent three MLI segments with different layer densities. The last segment is considered to be a shroud that surrounds the last MLI layer. Two approaches are considered. In the first approach, the variable density MLI is modeled layer by layer while in the second approach, a semi-empirical model is applied. Both models account for thermal radiation between shields, gas conduction, and solid conduction through the layer separator materials.

The Born-Oppenheimer molecular simulations of infrared spectra of crystalline poly-(R)-3-hydroxybutyrate with analysis of weak Csbnd H⋯Odbnd C hydrogen bonds

NASA Astrophysics Data System (ADS)

Brela, Mateusz Z.; Boczar, Marek; Wójcik, Marek J.; Sato, Harumi; Nakajima, Takahito; Ozaki, Yukihiro

2017-06-01

In this letter we present results of study of weak Csbnd H⋯Odbnd C hydrogen bonds of crystalline poly-(R)-3-hydroxybutyrate (PHB) by using Born-Oppenheimer molecular dynamics. The polymeric structure and IR spectra of PHB result from the presence of the weak hydrogen bonds. We applied the post-molecular dynamics analysis to consider a Cdbnd O motion as indirectly involved in the hydrogen bonds. Quantization of the nuclear motion of the oxygens was done to perform detailed analysis of the strength and properties of the Cdbnd O bands involved in the weak hydrogen bonds. We have also shown the dynamic character of the weak hydrogen bond interactions.

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

NASA Technical Reports Server (NTRS)

Zollars, G. F.

1980-01-01

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

Safety risks of hydrogen fuel for applications in transportation vehicles.

DOT National Transportation Integrated Search

2009-04-01

Combustion of hydrocarbon fuels in many practical applications produces pollutants that are harmful to human health and environment. Hydrogen fuel is considered to be a potential answer to the clean energy demands, especially with the advances in fue...

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

NASA Technical Reports Server (NTRS)

Easter, R. W.

1974-01-01

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

Bio-oil Stabilization by Hydrogenation over Reduced Metal Catalysts at Low Temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Huamin; Lee, Suh-Jane; Olarte, Mariefel V.

Biomass fast pyrolysis integrated with bio-oil upgrading represents a very attractive approach for converting biomass to hydrocarbon transportation fuels. However, the thermal and chemical instability of bio-oils presents significant problems when they are being upgraded, and development of effective approaches for stabilizing bio-oils is critical to the success of the technology. Catalytic hydrogenation to remove reactive species in bio-oil has been considered as one of the most efficient ways to stabilize bio-oil. This paper provides a fundamental understanding of hydrogenation of actual bio-oils over a Ru/TiO2 catalyst under conditions relevant to practical bio-oil hydrotreating processes. Bio-oil feed stocks, bio-oils hydrogenatedmore » to different extents, and catalysts have been characterized to provide insights into the chemical and physical properties of these samples and to understand the correlation of the properties with the composition of the bio-oil and catalysts. The results indicated hydrogenation of various components of the bio-oil, including sugars, aldehydes, ketones, alkenes, aromatics, and carboxylic acids, over the Ru/TiO2 catalyst and 120 to 160oC. Hydrogenation of these species significantly changed the chemical and physical properties of the bio-oil and overall improved its thermal stability, especially by reducing the carbonyl content, which represented the content of the most reactive species (i.e., sugar, aldehydes, and ketones). The change of content of each component in response to increasing hydrogen additions suggests the following bio-oil hydrogenation reaction sequence: sugar conversion to sugar alcohols, followed by ketone and aldehyde conversion to alcohols, followed by alkene and aromatic hydrogenation, and then followed by carboxylic acid hydrogenation to alcohols. Hydrogenation of bio-oil samples with different sulfur contents or inorganic material contents suggested that sulfur poisoning of the reduced Ru metal catalysts was significant during hydrogenation; however, the inorganics at low concentrations had minimal impact at short times on stream, indicating that sulfur poisoning was the primary deactivation mode for the bio-oil hydrogenation catalyst. Reducing the sulfur content in bio-oil could significantly increase the lifetime of the hydrogenation catalyst used. The knowledge gained during this work will allow rational design of more effective catalysts and processes for stabilizing and upgrading bio-oils.« less

The use of hydrazine as an alternate source of energy

NASA Technical Reports Server (NTRS)

Carvalho, J. A., Jr.; Bressan, C.; Ferreira, J. L.

1984-01-01

The potentials of using hydrazine as an alternative source of energy was studied. Three chemical reactions are considered: oxidation with air, oxidation with hydrogen peroxide, and thermocatalytic decomposition. Performance data of gasoline, ethylic alcohol, and propane are compared. An item about the NO(x) emissions by the various investigated reactions is included. Promising results are shown, mainly those regarding the available energy per unit volume of unburned gases (vaporized fuel and oxidizer).

Procedures for making gaseous industrial waste safe

NASA Astrophysics Data System (ADS)

Matros, Yu Sh; Noskov, Aleksandr S.

1990-10-01

The application of various methods (adsorption, absorption, thermal afterburning, catalytic purification, and others) for the removal of sulphur and nitrogen oxides, toxic organic compounds, hydrogen sulphide, and carbon monoxide from industrial waste gases is described. Much attention is devoted to the catalytic procedure for making the gases safe using an energy collecting non-stationary method (reversible process). The advantages and limitations of various gas purification methods are considered. The bibliography includes 279 references.

On-Board Hydrogen Gas Production System For Stirling Engines

DOEpatents

Johansson, Lennart N.

2004-06-29

A hydrogen production system for use in connection with Stirling engines. The production system generates hydrogen working gas and periodically supplies it to the Stirling engine as its working fluid in instances where loss of such working fluid occurs through usage through operation of the associated Stirling engine. The hydrogen gas may be generated by various techniques including electrolysis and stored by various means including the use of a metal hydride absorbing material. By controlling the temperature of the absorbing material, the stored hydrogen gas may be provided to the Stirling engine as needed. A hydrogen production system for use in connection with Stirling engines. The production system generates hydrogen working gas and periodically supplies it to the Stirling engine as its working fluid in instances where loss of such working fluid occurs through usage through operation of the associated Stirling engine. The hydrogen gas may be generated by various techniques including electrolysis and stored by various means including the use of a metal hydride absorbing material. By controlling the temperature of the absorbing material, the stored hydrogen gas may be provided to the Stirling engine as needed.

Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. II. H-physisorbed case.

PubMed

Martinazzo, Rocco; Tantardini, Gian Franco

2006-03-28

Following previous investigation of collision induced (CI) processes involving hydrogen atoms chemisorbed on graphite [R. Martinazzo and G. F. Tantardini, J. Chem. Phys. 124, 124702 (2006)], the case in which the target hydrogen atom is initially physisorbed on the surface is considered here. Several adsorbate-substrate initial states of the target H atom in the physisorption well are considered, and CI processes are studied for projectile energies up to 1 eV. Results show that (i) Eley-Rideal cross sections at low collision energies may be larger than those found in the H-chemisorbed case but they rapidly decrease as the collision energy increases; (ii) product hydrogen molecules are vibrationally very excited; (iii) collision induced desorption cross sections rapidly increase, reaching saturation values greater than 10 A2; (iv) trapping of the incident atoms is found to be as efficient as the Eley-Rideal reaction at low energies and remains sizable (3-4 A2) at high energies. The latter adsorbate-induced trapping results mainly in formation of metastable hot hydrogen atoms, i.e., atoms with an excess energy channeled in the motion parallel to the surface. These atoms might contribute in explaining hydrogen formation on graphite.

Carbon Dioxide Hydrogenation into Higher Hydrocarbons and Oxygenates: Thermodynamic and Kinetic Bounds and Progress with Heterogeneous and Homogeneous Catalysis.

PubMed

Prieto, Gonzalo

2017-03-22

Under specific scenarios, the catalytic hydrogenation of CO 2 with renewable hydrogen is considered a suitable route for the chemical recycling of this environmentally harmful and chemically refractory molecule into added-value energy carriers and chemicals. The hydrogenation of CO 2 into C 1 products, such as methane and methanol, can be achieved with high selectivities towards the corresponding hydrogenation product. More challenging, however, is the selective production of high (C 2+ ) hydrocarbons and oxygenates. These products are desired as energy vectors, owing to their higher volumetric energy density and compatibility with the current fuel infrastructure than C 1 compounds, and as entry platform chemicals for existing value chains. The major challenge is the optimal integration of catalytic functionalities for both reductive and chain-growth steps. This Minireview summarizes the progress achieved towards the hydrogenation of CO 2 to C 2+ hydrocarbons and oxygenates, covering both solid and molecular catalysts and processes in the gas and liquid phases. Mechanistic aspects are discussed with emphasis on intrinsic kinetic limitations, in some cases inevitably linked to thermodynamic bounds through the concomitant reverse water-gas-shift reaction, which should be considered in the development of advanced catalysts and processes. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Hydrogenation of passivated contacts

DOEpatents

Nemeth, William; Yuan, Hao-Chih; LaSalvia, Vincenzo; Stradins, Pauls; Page, Matthew R.

2018-03-06

Methods of hydrogenation of passivated contacts using materials having hydrogen impurities are provided. An example method includes applying, to a passivated contact, a layer of a material, the material containing hydrogen impurities. The method further includes subsequently annealing the material and subsequently removing the material from the passivated contact.

An numerical analysis of high-temperature helium reactor power plant for co-production of hydrogen and electricity

NASA Astrophysics Data System (ADS)

Dudek, M.; Podsadna, J.; Jaszczur, M.

2016-09-01

In the present work, the feasibility of using a high temperature gas cooled nuclear reactor (HTR) for electricity generation and hydrogen production are analysed. The HTR is combined with a steam and a gas turbine, as well as with the system for heat delivery for medium temperature hydrogen production. Industrial-scale hydrogen production using copper-chlorine (Cu-Cl) thermochemical cycle is considered and compared with high temperature electrolysis. Presented cycle shows a very promising route for continuous, efficient, large-scale and environmentally benign hydrogen production without CO2 emissions. The results show that the integration of a high temperature helium reactor, with a combined cycle for electric power generation and hydrogen production, may reach very high efficiency and could possibly lead to a significant decrease of hydrogen production costs.

Modelling of flame propagation in the gasoline fuelled Wankel rotary engine with hydrogen additives

NASA Astrophysics Data System (ADS)

Fedyanov, E. A.; Zakharov, E. A.; Prikhodkov, K. V.; Levin, Y. V.

2017-02-01

Recently, hydrogen has been considered as an alternative fuel for a vehicles power unit. The Wankel engine is the most suitable to be adapted to hydrogen feeding. A hydrogen additive helps to decrease incompleteness of combustion in the volumes near the apex of the rotor. Results of theoretical researches of the hydrogen additives influence on the flame propagation in the combustion chamber of the Wankel rotary engine are presented. The theoretical research shows that the blend of 70% gasoline with 30% hydrogen could accomplish combustion near the T-apex in the stoichiometric mixture and in lean one. Maps of the flame front location versus the angle of rotor rotation and hydrogen fraction are obtained. Relations of a minimum required amount of hydrogen addition versus the engine speed are shown on the engine modes close to the average city driving cycle. The amount of hydrogen addition that could be injected by the nozzle with different flow sections is calculated in order to analyze the capacity of the feed system.

Systems and methods for selective hydrogen transport and measurement

DOEpatents

Glatzmaier, Gregory C

2013-10-29

Systems and methods for selectively removing hydrogen gas from a hydrogen-containing fluid volume are disclosed. An exemplary system includes a proton exchange membrane (PEM) selectively permeable to hydrogen by exclusively conducting hydrogen ions. The system also includes metal deposited as layers onto opposite sides or faces of the PEM to form a membrane-electrode assembly (MEA), each layer functioning as an electrode so that the MEA functions as an electrochemical cell in which the ionic conductors are hydrogen ions, and the MEA functioning as a hydrogen selective membrane (HSM) when located at the boundary between a hydrogen-containing fluid volume and a second fluid.

Hydrogen production under salt stress conditions by a freshwater Rhodopseudomonas palustris strain.

PubMed

Adessi, Alessandra; Concato, Margherita; Sanchini, Andrea; Rossi, Federico; De Philippis, Roberto

2016-03-01

Hydrogen represents a possible alternative energy carrier to face the growing request for energy and the shortage of fossil fuels. Photofermentation for the production of H2 constitutes a promising way for integrating the production of energy with waste treatments. Many wastes are characterized by high salinity, and polluted seawater can as well be considered as a substrate. Moreover, the application of seawater for bacterial culturing is considered cost-effective. The aims of this study were to assess the capability of the metabolically versatile freshwater Rhodopseudomonas palustris 42OL of producing hydrogen on salt-containing substrates and to investigate its salt stress response strategy, never described before. R. palustris 42OL was able to produce hydrogen in media containing up to 3 % added salt concentration and to grow in media containing up to 4.5 % salinity without the addition of exogenous osmoprotectants. While the hydrogen production performances in absence of sea salts were higher than in their presence, there was no significant difference in performances between 1 and 2 % of added sea salts. Nitrogenase expression levels indicated that the enzyme was not directly inhibited during salt stress, but a regulation of its expression may have occurred in response to salt concentration increase. During cell growth and hydrogen production in the presence of salts, trehalose was accumulated as a compatible solute; it protected the enzymatic functionality against salt stress, thus allowing hydrogen production. The possibility of producing hydrogen on salt-containing substrates widens the range of wastes that can be efficiently used in production processes.

Device for hydrogen separation and method

DOEpatents

Paglieri, Stephen N [White Rock, NM; Anderson, Iver E [Ames, IA; Terpstra, Robert L [Ames, IA

2009-11-03

A device for hydrogen separation has a porous support and hydrogen separation material on the support. The support is prepared by heat treatment of metal microparticles, preferably of iron-based or nickel-based alloys that also include aluminum and/or yttrium. The hydrogen separation material is then deposited on the support. Preferred hydrogen separation materials include metals such as palladium, alloys, platinum, refractory metals, and alloys.

A Few Facts about Hydrogen [and] Hydrogen Bibliography.

ERIC Educational Resources Information Center

Hinds, H. Roger

Divided into two sections, this publication presents facts about and the characteristics of hydrogen and a bibliography on hydrogen. The first section lists nine facts on what hydrogen is, four on where hydrogen is found, nine on how hydrogen is used, nine on how hydrogen can be used, and 14 on how hydrogen is made. Also included are nine…

Micro-machined thin film hydrogen gas sensor, and method of making and using the same

NASA Technical Reports Server (NTRS)

DiMeo, Jr., Frank (Inventor); Bhandari, Gautam (Inventor)

2001-01-01

A hydrogen sensor including a thin film sensor element formed, e.g., by metalorganic chemical vapor deposition (MOCVD) or physical vapor deposition (PVD), on a microhotplate structure. The thin film sensor element includes a film of a hydrogen-interactive metal film that reversibly interacts with hydrogen to provide a correspondingly altered response characteristic, such as optical transmissivity, electrical conductance, electrical resistance, electrical capacitance, magnetoresistance, photoconductivity, etc., relative to the response characteristic of the film in the absence of hydrogen. The hydrogen-interactive metal film may be overcoated with a thin film hydrogen-permeable barrier layer to protect the hydrogen-interactive film from deleterious interaction with non-hydrogen species. The hydrogen sensor of the invention may be usefully employed for the detection of hydrogen in an environment susceptible to the incursion or generation of hydrogen and may be conveniently configured as a hand-held apparatus.

Fructose intake at current levels in the United States may cause gastrointestinal distress in normal adults.

PubMed

Beyer, Peter L; Caviar, Elena M; McCallum, Richard W

2005-10-01

Fructose intake has increased considerably in the United States, primarily as a result of increased consumption of high-fructose corn syrup, fruits and juices, and crystalline fructose. The purpose was to determine how often fructose, in amounts commonly consumed, would result in malabsorption and/or symptoms in healthy persons. Fructose absorption was measured using 3-hour breath hydrogen tests and symptom scores were used to rate subjective responses for gas, borborygmus, abdominal pain, and loose stools. The study included 15 normal, free-living volunteers from a medical center community and was performed in a gastrointestinal specialty clinic. Subjects consumed 25- and 50-g doses of crystalline fructose with water after an overnight fast on separate test days. Mean peak breath hydrogen, time of peak, area under the curve (AUC) for breath hydrogen and gastrointestinal symptoms were measured during a 3-hour period after subjects consumed both 25- and 50-g doses of fructose. Differences in mean breath hydrogen, AUC, and symptom scores between doses were analyzed using paired t tests. Correlations among peak breath hydrogen, AUC, and symptoms were also evaluated. More than half of the 15 adults tested showed evidence of fructose malabsorption after 25 g fructose and greater than two thirds showed malabsorption after 50 g fructose. AUC, representing overall breath hydrogen response, was significantly greater after the 50-g dose. Overall symptom scores were significantly greater than baseline after each dose, but scores were only marginally greater after 50 g than 25 g. Peak hydrogen levels and AUC were highly correlated, but neither was significantly related to symptoms. Fructose, in amounts commonly consumed, may result in mild gastrointestinal distress in normal people. Additional study is warranted to evaluate the response to fructose-glucose mixtures (as in high-fructose corn syrup) and fructose taken with food in both normal people and those with gastrointestinal dysfunction. Because breath hydrogen peaks occurred at 90 to 114 minutes and were highly correlated with 180-minute breath hydrogen AUC, the use of peak hydrogen measures may be considered to shorten the duration of the exam.

Project plan hydrogen energy systems technology. Phase 1: Hydrogen energy systems technology study

NASA Technical Reports Server (NTRS)

1974-01-01

An overview of the potential need for hydrogen as a source of energy in the future was presented in order to identify and define the technology requirements for the most promising approaches to meet that need. The following study objectives were discussed: (1) determination of the future demand for hydrogen, based on current trends and anticipated new uses, (2) identification of the critical research and technology advances required to meet this need considering, to the extent possible, raw material limitations, economics, and environmental effects, and (3) definition and recommendation of the scope and space of a National Hydrogen Energy Systems Technology Program and outline of a Program Development Plan.

Demand and supply of hydrogen as chemical feedstock in USA

NASA Technical Reports Server (NTRS)

Huang, C. J.; Tang, K.; Kelley, J. H.; Berger, B. J.

1979-01-01

Projections are made for the demand and supply of hydrogen as chemical feedstock in USA. Industrial sectors considered are petroleum refining, ammonia synthesis, methanol production, isocyanate manufacture, edible oil processing, coal liquefaction, fuel cell electricity generation, and direct iron reduction. Presently, almost all the hydrogen required is produced by reforming of natural gas or petroleum fractions. Specific needs and emphases are recommended for future research and development to produce hydrogen from other sources to meet the requirements of these industrial sectors. The data and the recommendations summarized in this paper are based on the Workshop 'Supply and Demand of Hydrogen as Chemical Feedstock' held at the University of Houston on December 12-14, 1977.

Space shuttle auxiliary propulsion system design study. Phase D report: Oxygen-hydrogen special RCS studies

NASA Technical Reports Server (NTRS)

Baumann, T. L.; Pattern, T. C.; Mckee, H. B.

1972-01-01

Two alternate oxygen-hydrogen auxiliary propulsion system concepts for use with the space shuttle vehicle were evaluated. The two concepts considered were: (1) gaseous oxygen-hydrogen systems with electric or hydraulic motor driven pumps to provide system pressure and (2) liquid oxygen-hydrogen systems which delivered propellants to the engines in a liquid state without the need for pumps. The various means of implementing each of the concepts are compared on the basis of weight, technology requirements, and operational considerations. It was determined that the liquid oxygen-hydrogen system concepts have the potential to produce substantial weight reductions in the space shuttle orbiter total impulse range.

Effect of hydrogen on the strength and microstructure of selected ceramics

NASA Technical Reports Server (NTRS)

Herbell, Thomas P.; Eckel, Andrew J.; Hull, David R.; Misra, Ajay K.

1990-01-01

Ceramics in monolithic form and as composite constituents in the form of fibers, matrices, and coatings are currently being considered for a variety of high-temperature applications in aeronautics and space. Many of these applications involve exposure to a hydrogen-containing environment. The compatibility of selected ceramics in gaseous high-temperature hydrogen is assessed. Environmental stability regimes for the long term use of ceramic materials are defined by the parameters of temperature, pressure, and moisture content. Thermodynamically predicted reactions between hydrogen and several monolithic ceramics are compared with actual performance in a controlled environment. Morphology of hydrogen attack and the corresponding strength degradation is reported for silicon carbide, silicon nitride, alumina, magnesia, and mullite.

40 CFR 60.591a - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... proportion of hydrocarbons having carbon numbers greater than C25 with a high carbon to hydrogen ratio. It is... only, compressors are considered equipment. In hydrogen service means that a compressor contains a... operate independently if supplied with sufficient feed or raw materials and sufficient storage facilities...

Nanoscale microstructure effects on hydrogen behavior in rapidly solidified aluminum alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tashlykova-Bushkevich, Iya I.

2015-12-31

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

Hydrogen production from solar energy

NASA Technical Reports Server (NTRS)

Eisenstadt, M. M.; Cox, K. E.

1975-01-01

Three alternatives for hydrogen production from solar energy have been analyzed on both efficiency and economic grounds. The analysis shows that the alternative using solar energy followed by thermochemical decomposition of water to produce hydrogen is the optimum one. The other schemes considered were the direct conversion of solar energy to electricity by silicon cells and water electrolysis, and the use of solar energy to power a vapor cycle followed by electrical generation and electrolysis. The capital cost of hydrogen via the thermochemical alternative was estimated at $575/kW of hydrogen output or $3.15/million Btu. Although this cost appears high when compared with hydrogen from other primary energy sources or from fossil fuel, environmental and social costs which favor solar energy may prove this scheme feasible in the future.

Hydrogenated vacancies lock dislocations in aluminium

PubMed Central

Xie, Degang; Li, Suzhi; Li, Meng; Wang, Zhangjie; Gumbsch, Peter; Sun, Jun; Ma, Evan; Li, Ju; Shan, Zhiwei

2016-01-01

Due to its high diffusivity, hydrogen is often considered a weak inhibitor or even a promoter of dislocation movements in metals and alloys. By quantitative mechanical tests in an environmental transmission electron microscope, here we demonstrate that after exposing aluminium to hydrogen, mobile dislocations can lose mobility, with activating stress more than doubled. On degassing, the locked dislocations can be reactivated under cyclic loading to move in a stick-slip manner. However, relocking the dislocations thereafter requires a surprisingly long waiting time of ∼103 s, much longer than that expected from hydrogen interstitial diffusion. Both the observed slow relocking and strong locking strength can be attributed to superabundant hydrogenated vacancies, verified by our atomistic calculations. Vacancies therefore could be a key plastic flow localization agent as well as damage agent in hydrogen environment. PMID:27808099

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

NASA Astrophysics Data System (ADS)

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

2016-07-01

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

The Economic Potential of Nuclear-Renewable Hybrid Energy Systems Producing Hydrogen

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ruth, Mark; Cutler, Dylan; Flores-Espino, Francisco

This report is one in a series of reports that Idaho National Laboratory and the Joint Institute for Strategic Energy Analysis are publishing that address the technical and economic aspects of nuclear-renewable hybrid energy systems (N-R HESs). This report discusses an analysis of the economic potential of a tightly coupled N-R HES that produces electricity and hydrogen. Both low and high temperature electrolysis options are considered in the analysis. Low-temperature electrolysis requires only electricity to convert water to hydrogen. High temperature electrolysis requires less electricity because it uses both electricity and heat to provide the energy necessary to electrolyze water.more » The study finds that, to be profitable, the examined high-temperature electrosis and low-temperature electrosis N-R HES configurations that produce hydrogen require higher electricity prices, more electricity price volatility, higher natural gas prices, or higher capacity payments than the reference case values of these parameters considered in this analysis.« less

Solar hydrogen production with cerium oxides thermochemical cycle

NASA Astrophysics Data System (ADS)

Binotti, Marco; Di Marcoberardino, Gioele; Biassoni, Mauro; Manzolini, Giampaolo

2017-06-01

This paper discusses the hydrogen production using a solar driven thermochemical cycle. The thermochemical cycle is based on nonstoichiometric cerium oxides redox and the solar concentration system is a solar dish. Detailed optical and redox models were developed to optimize the hydrogen production performance as function of several design parameters (i.e. concentration ratio, reactor pressures and temperatures) The efficiency of the considered technology is compared against two commercially available technologies namely PV + electrolyzer and Dish Stirling + electrolyzer. Results show that solar-to-fuel efficiency of 21.2% can be achieved at design condition assuming a concentration ratio around 5000, reduction and oxidation temperatures of 1500°C and 1275 °C. When moving to annual performance, the annual yield of the considered approach can be as high as 16.7% which is about 43% higher than the best competitive technology. The higher performance implies that higher installation costs around 40% can be accepted for the innovative concept to achieve the same cost of hydrogen.

Microalgal biohydrogen production considering light energy and mixing time as the two key features for scale-up.

PubMed

Oncel, S; Sabankay, M

2012-10-01

This study focuses on a scale-up procedure considering two vital parameters light energy and mixing for microalgae cultivation, taking Chlamydomonas reinhardtii as the model microorganism. Applying two stage hydrogen production protocol to 1L flat type and 2.5L tank type photobioreactors hydrogen production was investigated with constant light energy and mixing time. The conditions that provide the shortest transfer time to anaerobic culture (light energy; 2.96 kJ s(-1)m(-3) and mixing time; 1 min) and highest hydrogen production rate (light energy; 1.22 kJ s(-1)m(-3) and mixing time; 2.5 min) are applied to 5L photobioreactor. The final hydrogen production for 5L system after 192 h was measured as 195 ± 10 mL that is comparable with the other systems is a good validation for the scale-up procedure. Copyright © 2012 Elsevier Ltd. All rights reserved.

Preferential melting of secondary structures during protein unfolding in different solvents: Competition between hydrophobic solvation and hydrogen bonding

NASA Astrophysics Data System (ADS)

Bagchi, Biman; Roy, Susmita; Ghosh, Rikhia

2014-03-01

Aqueous binary mixtures such as water-DMSO, water-urea, and water-ethanol are known to serve as denaturants of a host of proteins, although the detailed mechanism is often not known. Here we combine studies on several proteins in multiple binary mixtures to obtain a unified understanding of the phenomenon. We compare with experiments to support the simulation findings. The proteins considered include (i) chicken villin head piece (HP-36), (ii) immunoglobulin binding protein G (GB1), (iii) myoglobin and (iv) lysozyme. We find that for amphiphilic solvents like DMSO, the hydrophobic groups and the strong hydrogen bonding ability of the >S =O oxygen atom act together to facilitate the unfolding. However, the hydrophilic solvents like urea, due to the presence of more hydrophilic ends (C =O and two NH2) has a high propensity of forming hydrogen bonds with the side-chain residues and backbone of beta-sheet than the same of alpha helix. Such diversity among the unfolding pathways of a given protein in different chemical environments is especially characterized by the preferential solvation of a particular secondary structure.

Fermentative hydrogen production using pretreated microalgal biomass as feedstock.

PubMed

Wang, Jianlong; Yin, Yanan

2018-02-14

Microalgae are simple chlorophyll containing organisms, they have high photosynthetic efficiency and can synthesize and accumulate large quantities of carbohydrate biomass. They can be cultivated in fresh water, seawater and wastewater. They have been used as feedstock for producing biodiesel, bioethanol and biogas. The production of these biofuels can be integrated with CO 2 mitigation, wastewater treatment, and the production of high-value chemicals. Biohydrogen from microalgae is renewable. Microalgae have several advantages compared to terrestrial plants, such as higher growth rate with superior CO 2 fixation capacity; they do not need arable land to grow; they do not contain lignin. In this review, the biology of microalgae and the chemical composition of microalgae were briefly introduced, the advantages and disadvantages of hydrogen production from microalgae were discussed, and the pretreatment of microalgal biomass and the fermentative hydrogen production from microalgal biomass pretreated by different methods (including physical, chemical, biological and combined methods) were summarized and evaluated. For the production of biohydrogen from microalgae, the economic feasibility remains the most important aspect to consider. Several technological and economic issues must be addressed to achieve success on a commercial scale.

Transpiration Cooling Experiment

NASA Technical Reports Server (NTRS)

Song, Kyo D.; Ries, Heidi R.; Scotti, Stephen J.; Choi, Sang H.

1997-01-01

The transpiration cooling method was considered for a scram-jet engine to accommodate thermally the situation where a very high heat flux (200 Btu/sq. ft sec) from hydrogen fuel combustion process is imposed to the engine walls. In a scram-jet engine, a small portion of hydrogen fuel passes through the porous walls of the engine combustor to cool the engine walls and at the same time the rest passes along combustion chamber walls and is preheated. Such a regenerative system promises simultaneously cooling of engine combustor and preheating the cryogenic fuel. In the experiment, an optical heating method was used to provide a heat flux of 200 Btu/sq. ft sec to the cylindrical surface of a porous stainless steel specimen which carried helium gas. The cooling efficiencies by transpiration were studied for specimens with various porosity. The experiments of various test specimens under high heat flux have revealed a phenomenon that chokes the medium flow when passing through a porous structure. This research includes the analysis of the system and a scaling conversion study that interprets the results from helium into the case when hydrogen medium is used.

Confinement of hydrogen at high pressure in carbon nanotubes

DOEpatents

Lassila, David H [Aptos, CA; Bonner, Brian P [Livermore, CA

2011-12-13

A high pressure hydrogen confinement apparatus according to one embodiment includes carbon nanotubes capped at one or both ends thereof with a hydrogen-permeable membrane to enable the high pressure confinement of hydrogen and release of the hydrogen therethrough. A hydrogen confinement apparatus according to another embodiment includes an array of multi-walled carbon nanotubes each having first and second ends, the second ends being capped with palladium (Pd) to enable the high pressure confinement of hydrogen and release of the hydrogen therethrough as a function of palladium temperature, wherein the array of carbon nanotubes is capable of storing hydrogen gas at a pressure of at least 1 GPa for greater than 24 hours. Additional apparatuses and methods are also presented.

Design of hydrogen vent line for the cryogenic hydrogen system in J-PARC

NASA Astrophysics Data System (ADS)

Tatsumoto, Hideki; Aso, Tomokazu; Kato, Takashi; Ohtsu, Kiichi; Hasegawa, Shoichi; Maekawa, Fujio; Futakawa, Masatoshi

2009-02-01

As one of the main experimental facilities in J-PARC, an intense spallation neutron source (JSNS) driven by a 1-MW proton beam selected supercritical hydrogen at a temperature of 20 K and a pressure of 1.5 MPa as a moderator material. Moderators are controlled by a cryogenic hydrogen system that has a hydrogen relief system, which consists of high and low pressure stage of manifolds, a hydrogen vent line and a stack, in order to release hydrogen to the outside safely. The design of the hydrogen vent line should be considered to prevent purge nitrogen gas in the vent line from freezing when releasing the cryogenic hydrogen, to prevent moisture in the stack placed in an outdoor location from freezing, and to inhibit large piping temperature reduction at a building wall penetration. In this work, temperature change behaviors in the hydrogen vent line were analyzed by using a CFD code, STAR-CD. We determined required sizes of the vent line based on the analytical results and its layout in the building.

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

NASA Astrophysics Data System (ADS)

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.

Importance of analytically verifying chemical treatments

USGS Publications Warehouse

Rach, J.J.; Gaikowski, M.P.; Olson, J.J.

1997-01-01

Hydrogen peroxide is considered a low regulatory priority compound by the U.S. Food and Drug Administration. It is used to control fungal infections on fish eggs. We studied the treatment profiles of hydrogen peroxide in Heath, McDonald egg jar, and Clark-Williamson incubators during treatments intended to deliver an effective regimen of at least 500 ??L hydrogen peroxide/L (i.e., treatments of 500 and 1,000 ??L/L) for 15 min. Hydrogen peroxide concentrations decreased with increasing distance from the influent water in both Heath and Clark-Williamson incubators. The top treatment tray (tray 2) of the Heath incubator received more than 90% of the intended regimen during the 500 ??L/L treatment, whereas at 1,000 ??L/L, all trays had hydrogen peroxide concentrations at or above 500 ??L/L for 15 min. None of the compartments in the Clark-Williamson incubator received the intended therapeutic regimen when treated at 500 ??L/L. The McDonald egg jar system distributed the intended concentration for the designated treatment period in all jars, except those located directly below the influent water. Our results indicate that dilution of therapeutants applied through certain egg incubation systems significantly decreases the efficacy of treatments and may render them ineffective. The dilution characteristics of egg incubation systems should be assessed in order to ensure proper delivery of all intended chemical concentrations and exposure regimens. Suggestions for maintaining the minimum effective concentrations in evaluated incubators are included.

The Addition of Several Mineral Sources on Growing Media of Fluorescent Pseudomonad for the Biosynthesis of Hydrogen Cyanide

NASA Astrophysics Data System (ADS)

Advinda, L.; Fifendy, M.; Anhar, A.

2018-04-01

All Fluorescent pseudomonad is a group of rhyzobacteria which these days often utilized on plant disease control. The growing media is an absolute requirement which needs to be considered for the growth and cultivation of bacteria. The mineral source contained in growing media of bacteria may affect the production of hydrogen cyanide compound. The objectives of the research were to obtain the best source of minerals for biosynthesis of cyanide acid compounds by fluorescent pseudomonad isolates PfPj1, PfPb1, PfPj2, Kd7, Cas, Cas3, and LAHp2. This research is a qualitative experimental research including observation of hydrogen cyanide compound produced after the growing media of fluorescent pseudomonad bacteria added with several mineral sources. The treatments were given: A = ZnSO4.7H2O 0.5 mM addition, B = CoCl2.6H2O 0.5 mM addition, and C = Fe2SO4.7H2O 0.5 mM addition. From the result of the research, it was concluded that the addition of ZnSO4.7H2O mineral resources on the growing media of fluorescent pseudomonad isolate Cas and Cas3 produced the best hydrogen cyanide. Whereas addition of CoCl2.6H2O mineral source on the growing media showed poor hydrogen cyanide production for all fluorescent pseudomonad isolates

Integration of photovoltaic and concentrated solar thermal technologies for H2 production by the hybrid sulfur cycle

NASA Astrophysics Data System (ADS)

Liberatore, Raffaele; Ferrara, Mariarosaria; Lanchi, Michela; Turchetti, Luca

2017-06-01

It is widely agreed that hydrogen used as energy carrier and/or storage media may significantly contribute in the reduction of emissions, especially if produced by renewable energy sources. The Hybrid Sulfur (HyS) cycle is considered as one of the most promising processes to produce hydrogen through the water-splitting process. The FP7 project SOL2HY2 (Solar to Hydrogen Hybrid Cycles) investigates innovative material and process solutions for the use of solar heat and power in the HyS process. A significant part of the SOL2HY2 project is devoted to the analysis and optimization of the integration of the solar and chemical (hydrogen production) plants. In this context, this work investigates the possibility to integrate different solar technologies, namely photovoltaic, solar central receiver and solar troughs, to optimize their use in the HyS cycle for a green hydrogen production, both in the open and closed process configurations. The analysis carried out accounts for different combinations of geographical location and plant sizing criteria. The use of a sulfur burner, which can serve both as thermal backup and SO2 source for the open cycle, is also considered.

Analysis of regenerative fuel cells

NASA Technical Reports Server (NTRS)

Gross, S.

1982-01-01

The concept of a rechargeable fuel cell (RFC) system is considered. A newer type of rechargeable battery, the nickel hydrogen (Ni-H2) battery, is also evaluated. A review was made of past studies which showed large variations in weight, cost, and efficiency. Hydrogen-bromine and hydrogen-chlorine regenerable fuel cells were studied, and were found to have a potential for higher energy storage efficiency then the hydrogen-oxygen system. A reduction of up to 15 percent in solar array size may be possible as a result. These systems are not yet developed, but further study of them is recommended.

Electronic structures of graphane with vacancies and graphene adsorbed with fluorine atoms

NASA Astrophysics Data System (ADS)

Wu, Bi-Ru; Yang, Chih-Kai

2012-03-01

We investigate the electronic structure of graphane with hydrogen vacancies, which are supposed to occur in the process of hydrogenation of graphene. A variety of configurations is considered and defect states are derived by density functional calculation. We find that a continuous chain-like distribution of hydrogen vacancies will result in conduction of linear dispersion, much like the transport on a superhighway cutting through the jungle of hydrogen. The same conduction also occurs for chain-like vacancies in an otherwise fully fluorine-adsorbed graphene. These results should be very useful in the design of graphene-based electronic circuits.

The effect of porosity and gamma-gamma' eutectic content on the low cycle fatigue behavior of hydrogen-charged PWA-1480

NASA Technical Reports Server (NTRS)

Gayda, John; Dreshfield, Robert L.; Gabb, Timothy P.

1991-01-01

Single crystal superalloys such as PWA 1480 are considered for turbopump blades in the main engines of the space shuttle. As fatigue resistance in a hydrogen environment is a key issue in this application, a study of the effect of porosity and gamma-gamma' eutectic content on the fatigue life of a hydrogen-charged PWA 1480 was performed. Porosity and eutectic were linked to fatigue initiation, and therefore reduction of either of both may be one means to improve fatigue life of PWA 1480 when hydrogen is present.

MIS-based sensors with hydrogen selectivity

DOEpatents

Li,; Dongmei, [Boulder, CO; Medlin, J William [Boulder, CO; McDaniel, Anthony H [Livermore, CA; Bastasz, Robert J [Livermore, CA

2008-03-11

The invention provides hydrogen selective metal-insulator-semiconductor sensors which include a layer of hydrogen selective material. The hydrogen selective material can be polyimide layer having a thickness between 200 and 800 nm. Suitable polyimide materials include reaction products of benzophenone tetracarboxylic dianhydride 4,4-oxydianiline m-phenylene diamine and other structurally similar materials.

Asymptotic form of the charge exchange cross section in the three body rearrangement collisions

NASA Technical Reports Server (NTRS)

Omidvar, K.

1975-01-01

A three body general rearrangement collision is considered where the initial and final bound states are described by the hydrogen-like wave functions. Mathematical models are developed to establish the relationships of quantum number, the reduced mass, and the nuclear charge of the final state. It is shown that for the low lying levels, the reciprocal of n cubed scaling law at all incident energies is only approximately satisfied. The case of the symmetric collisions is considered and it is shown that for high n and high incident energy, E, the cross section behaves as the reciprocal of E cubed. Zeros and minima in the differential cross sections in the limit of high n for protons on atomic hydrogen and positrons on atomic hydrogen are given.

Simulations of Early Structure Formation: Primordial Gas Clouds

NASA Astrophysics Data System (ADS)

Yoshida, Naoki; Abel, Tom; Hernquist, Lars; Sugiyama, Naoshi

2003-08-01

We use cosmological simulations to study the origin of primordial star-forming clouds in a ΛCDM universe, by following the formation of dark matter halos and the cooling of gas within them. To model the physics of chemically pristine gas, we employ a nonequilibrium treatment of the chemistry of nine species (e-, H, H+, He, He+, He++, H2, H+2, H-) and include cooling by molecular hydrogen. By considering cosmological volumes, we are able to study the statistical properties of primordial halos, and the high resolution of our simulations enables us to examine these objects in detail. In particular, we explore the hierarchical growth of bound structures forming at redshifts z~25-30 with total masses in the range ~105-106Msolar. We find that when the amount of molecular hydrogen in these objects reaches a critical level, cooling by rotational line emission is efficient, and dense clumps of cold gas form. We identify these ``gas clouds'' as sites for primordial star formation. In our simulations, the threshold for gas cloud formation by molecular cooling corresponds to a critical halo mass of ~5×105h-1Msolar, in agreement with earlier estimates, but with a weak dependence on redshift in the range z>16. The complex interplay between the gravitational formation of dark halos and the thermodynamic and chemical evolution of the gas clouds compromises analytic estimates of the critical H2 fraction. Dynamical heating from mass accretion and mergers opposes relatively inefficient cooling by molecular hydrogen, delaying the production of star-forming clouds in rapidly growing halos. We also investigate the effect of photodissociating ultraviolet radiation on the formation of primordial gas clouds. We consider two extreme cases, first by including a uniform radiation field in the optically thin limit and second by accounting for the maximum effect of gas self-shielding in virialized regions. For radiation with Lyman-Werner band flux J>10-23 ergs s-1 cm-2 Hz-1 sr-1, hydrogen molecules are rapidly dissociated, rendering gas cooling inefficient. In both the cases we consider, the overall effect can be described by computing an equilibrium H2 abundance for the radiation flux and defining an effective shielding factor. Based on our numerical results, we develop a semianalytic model of the formation of the first stars and demonstrate how it can be coupled with large N-body simulations to predict the star formation rate in the early universe.

Pressure control and analysis report: Hydrogen Thermal Test Article (HTTA)

NASA Technical Reports Server (NTRS)

1971-01-01

Tasks accomplished during the HTTA Program study period included: (1) performance of a literature review to provide system guidelines; (2) development of analytical procedures needed to predict system performance; (3) design and analysis of the HTTA pressurization system considering (a) future utilization of results in the design of a spacecraft maneuvering system propellant package, (b) ease of control and operation, (c) system safety, and (d) hardware cost; and (4) making conclusions and recommendations for systems design.

Ordered ground states of metallic hydrogen and deuterium

NASA Technical Reports Server (NTRS)

Ashcroft, N. W.

1981-01-01

The physical attributes of some of the more physically distinct ordered states of metallic hydrogen and metallic deuterium at T = 0 and nearby are discussed. The likelihood of superconductivity in both is considered with respect to the usual coupling via the density fluctuations of the ions.

Singlet oxygen generator for a supersonic chemical oxygen iodine laser: parametric study and recovery of chemicals

NASA Astrophysics Data System (ADS)

Spalek, Otomar; Kodymova, Jarmila

1997-04-01

A jet singlet oxygen generator for a supersonic chemical oxygen-iodine laser was studied including singlet delta oxygen, O2(1(Delta) g), and residual chlorine concentration measurements. The investigation was intended mainly for a water vapor measurement in gas effluent of generator in dependence on properties of liquid jets: a chemical composition and temperature of the input liquid (alkaline solution of hydrogen peroxide), a liquid jets diameter and their geometrical arrangement. Effects of these parameters on output power of a small-scale supersonic laser were studied as well. Possible approaches to a chemical fuels management in a chemical oxygen-iodine laser for industrial applications are considered. An 'open loop' cycle with a possible use of sodium hydroxide, and a 'closed loop' cycle with a regeneration of both potassium hydroxide and hydrogen peroxide are discussed.

Ion Motion Induced Emittance Growth of Matched Electron Beams in Plasma Wakefields.

PubMed

An, Weiming; Lu, Wei; Huang, Chengkun; Xu, Xinlu; Hogan, Mark J; Joshi, Chan; Mori, Warren B

2017-06-16

Plasma-based acceleration is being considered as the basis for building a future linear collider. Nonlinear plasma wakefields have ideal properties for accelerating and focusing electron beams. Preservation of the emittance of nano-Coulomb beams with nanometer scale matched spot sizes in these wakefields remains a critical issue due to ion motion caused by their large space charge forces. We use fully resolved quasistatic particle-in-cell simulations of electron beams in hydrogen and lithium plasmas, including when the accelerated beam has different emittances in the two transverse planes. The projected emittance initially grows and rapidly saturates with a maximum emittance growth of less than 80% in hydrogen and 20% in lithium. The use of overfocused beams is found to dramatically reduce the emittance growth. The underlying physics that leads to the lower than expected emittance growth is elucidated.

Hydrogen: Its Future Role in the Nation's Energy Economy.

PubMed

Winsche, W E; Hoffman, K C; Salzano, F J

1973-06-29

In examining the potential role of hydrogen in the energy economy of the future, we take an optimistic view. All the technology required for implementation is feasible but a great deal of development and refinement is necessary. A pessimistic approach would obviously discourage further thinking about an important and perhaps the most reasonable alternative for the future. We have considered a limited number of alternative energy systems involving hydrogen and have shown that hydrogen could be a viable secondary source of energy derived from nuclear power; for the immediate future, hydrogen could be derived from coal. A hydrogen supply system could have greater flexibility and be competitive with a more conventional all-electric delivery system. Technological improvements could make hydrogen as an energy source an economic reality. The systems examined in this article show how hydrogen can serve as a general-purpose fuel for residential and automotive applications. Aside from being a source of heat and motive power, hydrogen could also supply the electrical needs of the household via fuel cells (19), turbines, or conventional "total energy systems." The total cost of energy to a residence supplied with hydrogen fuel depends on the ratio of the requirements for direct fuel use to the requirements for electrical use. A greater direct use of hydrogen as a fuel without conversion to electricity reduces the overall cost of energy supplied to the household because of the greater expense of electrical transmission and distribution. Hydrogen fuel is especially attractive for use in domestic residential applications where the bulk of the energy requirement is for thermal energy. Although a considerable amount of research is required before any hydrogen energy delivery system can be implemented, the necessary developments are within the capability of present-day technology and the system could be made attractive economically .Techniques for producing hydrogen from water by electrolysis, from coal, and directly from thermal energy could be found that are less expensive than those now available; inexpensive fuel cells could be developed, and high-temperature turbines could be used for the efficient conversion of hydrogen (and oxygen) to electricity. The use of hydrogen as an automotive fuel would be a key factor in the development of a hydrogen energy economy, and safe storage techniques for carrying sufficient quantities of hydrogen in automotive systems can certainly be developed. The use of hydrogen in automobiles would significantly reduce urban pollution because the dispersed fossil fuel emissions would be replaced by radioactive wastes generated at large central stations. The conversion of internal or external combustion engines for combustion of hydrogen fuel would probably have less economic impact on the automotive industry than the mass introduction of electric automobiles. However, this is a subject that requires more detailed study. All of the safety aspects of hydrogen utilization will have to be examined, especially the problems of safety in the domestic use and the long distance transport of hydrogen in pipelines at high pressures. It is our opinion that the various energy planning agencies should now begin to outline the mode of implementing hydrogen energy delivery systems in the energy economy. The initial transition to hydrogen energy derived from available fossil fuels such as coal should be considered together with the long range view of all the hydrogen being derived eventually from nuclear energy. By the year 1985 when petroleum imports may be in excess of the domestic supply, these plans could set the stage for the transition period from fossil to a predominantly nuclear energy economy able to supply abundant synthetic fuels such as hydrogen. Synthetic fuels will obviously be more expensive than fuels now derived from petroleum; however, there may be no other viable choice. Thus, it is essential that the analysis and technological feasibility of a hydrogen energy system be considered now. It is of vital importance to the nation to develop some general-purpose fuel that can be Produced from a variety of domestic energy sources and reduce our dependence on imported oil.

Separating hydrogen and oxygen evolution in alkaline water electrolysis using nickel hydroxide

PubMed Central

Chen, Long; Dong, Xiaoli; Wang, Yonggang; Xia, Yongyao

2016-01-01

Low-cost alkaline water electrolysis has been considered a sustainable approach to producing hydrogen using renewable energy inputs, but preventing hydrogen/oxygen mixing and efficiently using the instable renewable energy are challenging. Here, using nickel hydroxide as a redox mediator, we decouple the hydrogen and oxygen production in alkaline water electrolysis, which overcomes the gas-mixing issue and may increase the use of renewable energy. In this architecture, the hydrogen production occurs at the cathode by water reduction, and the anodic Ni(OH)2 is simultaneously oxidized into NiOOH. The subsequent oxygen production involves a cathodic NiOOH reduction (NiOOH→Ni(OH)2) and an anodic OH− oxidization. Alternatively, the NiOOH formed during hydrogen production can be coupled with a zinc anode to form a NiOOH-Zn battery, and its discharge product (that is, Ni(OH)2) can be used to produce hydrogen again. This architecture brings a potential solution to facilitate renewables-to-hydrogen conversion. PMID:27199009

Protons and pleomorphs: aerobic hydrogen production in Azotobacters.

PubMed

Noar, Jesse D; Bruno-Bárcena, José M

2016-02-01

As obligate aerobic soil organisms, the ability of Azotobacter species to fix nitrogen is unusual given that the nitrogenase complex requires a reduced cellular environment. Molecular hydrogen is an unavoidable byproduct of the reduction of dinitrogen; at least one molecule of H2 is produced for each molecule of N2 fixed. This could be considered a fault in nitrogenase efficiency, essentially a waste of energy and reducing equivalents. Wild-type Azotobacter captures this hydrogen and oxidizes it with its membrane-bound uptake hydrogenase complex. Strains lacking an active hydrogenase complex have been investigated for their hydrogen production capacities. What is the role of H2 in the energy metabolism of nitrogen-fixing Azotobacter? Is hydrogen production involved in Azotobacter species' protection from or tolerance to oxygen, or vice versa? What yields of hydrogen can be expected from hydrogen-evolving strains? Can the yield of hydrogen be controlled or increased by changing genetic, environmental, or physiological conditions? We will address these questions in the following mini-review.

An AAA-DDD triply hydrogen-bonded complex easily accessible for supramolecular polymers.

PubMed

Han, Yi-Fei; Chen, Wen-Qiang; Wang, Hong-Bo; Yuan, Ying-Xue; Wu, Na-Na; Song, Xiang-Zhi; Yang, Lan

2014-12-15

For a complementary hydrogen-bonded complex, when every hydrogen-bond acceptor is on one side and every hydrogen-bond donor is on the other, all secondary interactions are attractive and the complex is highly stable. AAA-DDD (A=acceptor, D=donor) is considered to be the most stable among triply hydrogen-bonded sequences. The easily synthesized and further derivatized AAA-DDD system is very desirable for hydrogen-bonded functional materials. In this case, AAA and DDD, starting from 4-methoxybenzaldehyde, were synthesized with the Hantzsch pyridine synthesis and Friedländer annulation reaction. The association constant determined by fluorescence titration in chloroform at room temperature is 2.09×10(7)  M(-1) . The AAA and DDD components are not coplanar, but form a V shape in the solid state. Supramolecular polymers based on AAA-DDD triply hydrogen bonded have also been developed. This work may make AAA-DDD triply hydrogen-bonded sequences easily accessible for stimuli-responsive materials. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Solar Water Splitting at λ=600 nm: A Step Closer to Sustainable Hydrogen Production.

PubMed

Zhang, Jinshui; Wang, Xinchen

2015-06-15

Overall water splitting with a semiconductor photocatalyst under visible-light irradiation is considered as a "dream reaction" in chemistry. The development of a 600 nm photocatalyst for solar water splitting highlighted here is not only an important milestone towards sustainable hydrogen production, but also a new starting point for artificial photosynthesis. STH=solar-to-hydrogen energy conversion efficiency. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Variable photosynthetic units, energy transfer and light-induced evolution of hydrogen in algae and bacteria.

NASA Technical Reports Server (NTRS)

Gaffron, H.

1971-01-01

The present state of knowledge regarding the truly photochemical reactions in photosynthesis is considered. Nine-tenths of the available knowledge is of a biochemical nature. Questions regarding the activities of the chlorophyll system are examined. The simplest photochemical response observed in living hydrogen-adapted algal cells is the release of molecular hydrogen, which continues even after all other known natural reactions have been eliminated either by heating or the action of poisons.

Hydrogen-based electrochemical energy storage

DOEpatents

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.

Mixture including hydrogen and hydrocarbon having pressure-temperature stability

NASA Technical Reports Server (NTRS)

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

2009-01-01

The invention relates to a method of storing hydrogen that employs a mixture of hydrogen and a hydrocarbon that can both be used as fuel. In one embodiment, the method involves maintaining a mixture including hydrogen and a hydrocarbon in the solid state at ambient pressure and a temperature in excess of about 10 K.

Mixture including hydrogen and hydrocarbon having pressure-temperature stability

DOEpatents

Mao, Wendy L [Washington, DC; Mao, Ho-Kwang [Washington, DC

2009-08-18

The invention relates to a method of storing hydrogen that employs a mixture of hydrogen and a hydrocarbon that can both be used as fuel. In one embodiment, the method involves maintaining a mixture including hydrogen and a hydrocarbon in the solid state at ambient pressure and a temperature in excess of about 10 K.

Scattering of Femtosecond Laser Pulses on the Negative Hydrogen Ion

NASA Astrophysics Data System (ADS)

Astapenko, V. A.; Moroz, N. N.

2018-05-01

Elastic scattering of ultrashort laser pulses (USLPs) on the negative hydrogen ion is considered. Results of calculations of the USLP scattering probability are presented and analyzed for pulses of two types: the corrected Gaussian pulse and wavelet pulse without carrier frequency depending on the problem parameters.

Hydrogenated vacancies lock dislocations in aluminium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Degang; Li, Suzhi; Li, Meng

Due to its high diffusivity, hydrogen is often considered a weak inhibitor or even a promoter of dislocation movements in metals and alloys. By quantitative mechanical tests in an environmental transmission electron microscope, here we demonstrate that after exposing aluminium to hydrogen, mobile dislocations can lose mobility, with activating stress more than doubled. On degassing, the locked dislocations can be reactivated under cyclic loading to move in a stick-slip manner. However, relocking the dislocations thereafter requires a surprisingly long waiting time of ~10 3 s, much longer than that expected from hydrogen interstitial diffusion. Both the observed slow relocking andmore » strong locking strength can be attributed to superabundant hydrogenated vacancies, verified by our atomistic calculations. In conclusion, vacancies therefore could be a key plastic flow localization agent as well as damage agent in hydrogen environment.« less

Direct and reversible hydrogenation of CO2 to formate by a bacterial carbon dioxide reductase.

PubMed

Schuchmann, K; Müller, V

2013-12-13

Storage and transportation of hydrogen is a major obstacle for its use as a fuel. An increasingly considered alternative for the direct handling of hydrogen is to use carbon dioxide (CO2) as an intermediate storage material. However, CO2 is thermodynamically stable, and developed chemical catalysts often require high temperatures, pressures, and/or additives for high catalytic rates. Here, we present the discovery of a bacterial hydrogen-dependent carbon dioxide reductase from Acetobacterium woodii directly catalyzing the hydrogenation of CO2. We also demonstrate a whole-cell system able to produce formate as the sole end product from dihydrogen (H2) and CO2 as well as syngas. This discovery opens biotechnological alternatives for efficient CO2 hydrogenation either by using the isolated enzyme or by employing whole-cell catalysis.

Hydrogenated vacancies lock dislocations in aluminium

DOE PAGES

Xie, Degang; Li, Suzhi; Li, Meng; ...

2016-11-03

Due to its high diffusivity, hydrogen is often considered a weak inhibitor or even a promoter of dislocation movements in metals and alloys. By quantitative mechanical tests in an environmental transmission electron microscope, here we demonstrate that after exposing aluminium to hydrogen, mobile dislocations can lose mobility, with activating stress more than doubled. On degassing, the locked dislocations can be reactivated under cyclic loading to move in a stick-slip manner. However, relocking the dislocations thereafter requires a surprisingly long waiting time of ~10 3 s, much longer than that expected from hydrogen interstitial diffusion. Both the observed slow relocking andmore » strong locking strength can be attributed to superabundant hydrogenated vacancies, verified by our atomistic calculations. In conclusion, vacancies therefore could be a key plastic flow localization agent as well as damage agent in hydrogen environment.« less

Davisson-Germer Prize Talk: Hydrogen storage in nanoporous materials

NASA Astrophysics Data System (ADS)

Chabal, Yves

2009-03-01

To develop a hydrogen-based energy technology, several classes of materials are being considered to achieve the DOE targets for gravimetric and volumetric hydrogen densities for hydrogen storage, including liquids (e.g. ammonium borohydrides), clathrate structures, complex metal hydrides, nanostructured (e.g. carbon) an nanoporous materials. Fundamental studies are necessary to determine the ultimate hydrogen capacity of each system. Nanoporous Metal-organic Framework (MOF) materials are promising candidates for hydrogen storage because the chemical nature and size of their unit cell can be tailored to weakly attract and incorporate H2 molecules, with good volumetric and mass density. In this talk, we consider the structure M2(BDC)2(TED), where M is a metal atom (Zn, Ni, Cu), BDC is benzenedicarboxylate and TED triethylenediamine, to determine the location and interaction of H2 molecules within the MOF. These compounds are isostructural and crystallize in the tetragonal phase (space group P4/ncc), they construct 3D porous structures with relatively large pore size (˜7-8 A ), pore volume (˜0.63-0.84 cc/g) and BET surface area (˜1500-1900 m^2/g). At high pressures (300-800 psi), the perturbation of the H-H stretching mode can be measured with IR absorption spectroscopy, showing a 35 cm-1 redshift from the unperturbed ortho (4155 cm-1 ) and para (4161 cm-1 ) frequencies. Using a newly developed non empirical van der Waals DFT method vdW-DFT),ootnotetextJ.Y. Lee, D.H. Olson, L. Pan, T.J. Emge, J. Li, Adv. Func. Mater. 17, 1255 (2007) it can be shown that the locus of the deepest H2 binding positions lies within to types of narrow channels. The energies of the most stable binding sites, as well as the number of such binding sites, are consistent with the values obtained from experimental adsorption isotherms, and heat of adsorption) data.ootnotetextM. Dion, H. Ryberg, E. Schroder, D. C. Langreth, B.I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004). Importantly, the calculated shift of the H-H stretch is ˜-30 cm-1 at the strongest binding points of the two channels, suggesting that the combination of IR and vdW-DFT gives a consistent and accurate picture of H2 binding in MOF structures. These methods can therefore provide the fundamental information necessary to guide synthesis for improving H2 uptake and release.

Hydrogen storage and integrated fuel cell assembly

DOEpatents

Gross, Karl J.

2010-08-24

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

Treatment of portal venous gas embolism with hyperbaric oxygen after accidental ingestion of hydrogen peroxide: a case report and review of the literature.

PubMed

Papafragkou, Sotirios; Gasparyan, Anna; Batista, Richard; Scott, Paul

2012-07-01

It is well known that hydrogen peroxide ingestion can cause gas embolism. To report a case illustrating that the definitive, most effective treatment for gas embolism is hyperbaric oxygen therapy. We present a case of a woman who presented to the Emergency Department with acute abdominal pain after an accidental ingestion of concentrated hydrogen peroxide. Complete recovery from her symptoms occurred quickly with hyperbaric oxygen therapy. This is a case report of the successful use of hyperbaric oxygen therapy to treat portal venous gas embolism caused by hydrogen peroxide ingestion. Hyperbaric oxygen therapy can be considered for the treatment of symptomatic hydrogen peroxide ingestion. Copyright © 2012 Elsevier Inc. All rights reserved.

Shuttle Gaseous Hydrogen Venting Risk from Flow Control Valve Failure

NASA Technical Reports Server (NTRS)

Drummond, J. Philip; Baurle, Robert A.; Gafney, Richard L.; Norris, Andrew T.; Pellett, Gerald L.; Rock, Kenneth E.

2009-01-01

This paper describes a series of studies to assess the potential risk associated with the failure of one of three gaseous hydrogen flow control valves in the orbiter's main propulsion system during the launch of Shuttle Endeavour (STS-126) in November 2008. The studies focused on critical issues associated with the possibility of combustion resulting from release of gaseous hydrogen from the external tank into the atmosphere during assent. The Shuttle Program currently assumes hydrogen venting from the external tank will result in a critical failure. The current effort was conducted to increase understanding of the risk associated with venting hydrogen given the flow control valve failure scenarios being considered in the Integrated In-Flight Anomaly Investigation being conducted by NASA.

In Situ High Pressure Hydrogen Tribological Testing of Common Polymer Materials Used in the Hydrogen Delivery Infrastructure.

PubMed

Duranty, Edward R; Roosendaal, Timothy J; Pitman, Stan G; Tucker, Joseph C; Owsley, Stanley L; Suter, Jonathan D; Alvine, Kyle James

2018-03-31

High pressure hydrogen gas is known to adversely affect metallic components of compressors, valves, hoses, and actuators. However, relatively little is known about the effects of high pressure hydrogen on the polymer sealing and barrier materials also found within these components. More study is required in order to determine the compatibility of common polymer materials found in the components of the hydrogen fuel delivery infrastructure with high pressure hydrogen. As a result, it is important to consider the changes in physical properties such as friction and wear in situ while the polymer is exposed to high pressure hydrogen. In this protocol, we present a method for testing the friction and wear properties of ethylene propylene diene monomer (EPDM) elastomer samples in a 28 MPa high pressure hydrogen environment using a custom-built in situ pin-on-flat linear reciprocating tribometer. Representative results from this testing are presented which indicate that the coefficient of friction between the EPDM sample coupon and steel counter surface is increased in high pressure hydrogen as compared to the coefficient of friction similarly measured in ambient air.

Pre-feasibility study for construction of a commercial coal hydrogenation plant

NASA Astrophysics Data System (ADS)

Hahn, W.; Wilhelm, H.; Kleinhueckelkotten, H.; Schmedeshagen, B.

1982-11-01

The technical problems, a suitable site and the unsatisfactory economics hinder the realization of a commercial coal liquefaction plant in Germany were identified. It is found that a plant for hydrogenation of coal and heavy oil according to the updated bergius-Pier process can be built. The improvement of acceptable reactor loading and increase of product yield was considered. The infrastructure aspects of a site for the plant which covers 300 hectars as well as eventually existing atmospheric pollution conditions in the environment are also considered.

Mechanical alloying of a hydrogenation catalyst used for the remediation of contaminated compounds

NASA Technical Reports Server (NTRS)

Quinn, Jacqueline W. (Inventor); Geiger, Cherie L. (Inventor); Aitken, Brian S. (Inventor); Clausen, Christian A. (Inventor)

2012-01-01

A hydrogenation catalyst including a base material coated with a catalytic metal is made using mechanical milling techniques. The hydrogenation catalysts are used as an excellent catalyst for the dehalogenation of contaminated compounds and the remediation of other industrial compounds. Preferably, the hydrogenation catalyst is a bimetallic particle including zero-valent metal particles coated with a catalytic material. The mechanical milling technique is simpler and cheaper than previously used methods for producing hydrogenation catalysts.

Mechanical alloying of a hydrogenation catalyst used for the remediation of contaminated compounds

NASA Technical Reports Server (NTRS)

Quinn, Jacqueline W. (Inventor); Aitken, Brian S. (Inventor); Clausen, Christian A. (Inventor); Geiger, Cherie L. (Inventor)

2010-01-01

A hydrogenation catalyst including a base material coated with a catalytic metal is made using mechanical milling techniques. The hydrogenation catalysts are used as an excellent catalyst for the dehalogenation of contaminated compounds and the remediation of other industrial compounds. Preferably, the hydrogenation catalyst is a bimetallic particle including zero-valent metal particles coated with a catalytic material. The mechanical milling technique is simpler and cheaper than previously used methods for producing hydrogenation catalysts.

Diffusion Study on Dissolved Hydrogen toward Effective Bioremediation of Chlorinated Ethenes in Aquitards

NASA Astrophysics Data System (ADS)

Yoshikawa, M.; Zhang, M.; Takeuchi, M.; Komai, T.

2010-12-01

In Japan, the demand for in-situ remediation of contaminated sediments is expected to increase in the future due to the recent amendment of Soil Contamination Countermeasures Act. The Japanese law requires remediating not only contaminated groundwater but also contaminated sediments including those in aquitards. In-situ remediation of contaminated aquitards has been a challenging issue and bioremediation is considered to be one of the effective techniques. In microbial degradation of chrolinated ethenes such as tetrachloroethene and trichloroethene under anaerobic environments, dissolved hydrogen plays an important role. The dechlorinating microbes utilize hydrogen and chlorinated ethenes as an electron donor and an electron accepter, respectively. The size of hydrogen molecule is extremely small and the diffusion rate of dissolved hydrogen in an aquitard would be the key factor that controls the process of microbial dechlorination. However, the diffusion behavior of dissolved hydrogen in subsurface sediments remains unclear. The purposes of this study are to develop a practically utilizable test apparatus, carry out a series of dissolved hydrogen diffusion tests on representative samples, and illustrate the applicability of bioremediation in aquitards. A completely leak-free apparatus was developed by using aluminum alloy and gas tight rubber. This apparatus is capable of testing specimens with a diameter as large as 100 mm by a length from 5 mm to 10 mm, depending on the maximum grain size within a test specimen. Preliminary tests have been performed with glass beads as an ideal material, commercially available kaolin clay, and core samples taken from a polluted site containing clay minerals. The effective diffusion coefficients of these samples were all on the order of 10E-10 m2/s, though their coefficients of permeability varied between the orders of 10E-2 and 10E-7 cm/s. These results showed that there was no obvious relationship between the effective diffusion coefficient of hydrogen and coefficient of permeability. This observation indicates that dissolved hydrogen also diffuses through hydraulically-tight soil particles and bioremediation of chlorinated ethenes in aquitards would be possible from the aspect of electron donor supply.

21 CFR 1310.08 - Excluded transactions.

Code of Federal Regulations, 2012 CFR

2012-04-01

... including anhydrous hydrogen chloride. (b) Exports, transshipments, and international transactions of hydrochloric (including anhydrous hydrogen chloride) and sulfuric acids, except for exports, transshipments and... less, and no greater than one package per transaction. (g) Import transactions of anhydrous hydrogen...

21 CFR 1310.08 - Excluded transactions.

Code of Federal Regulations, 2013 CFR

2013-04-01

... including anhydrous hydrogen chloride. (b) Exports, transshipments, and international transactions of hydrochloric (including anhydrous hydrogen chloride) and sulfuric acids, except for exports, transshipments and... less, and no greater than one package per transaction. (g) Import transactions of anhydrous hydrogen...

21 CFR 1310.08 - Excluded transactions.

Code of Federal Regulations, 2011 CFR

2011-04-01

... including anhydrous hydrogen chloride. (b) Exports, transshipments, and international transactions of hydrochloric (including anhydrous hydrogen chloride) and sulfuric acids, except for exports, transshipments and... less, and no greater than one package per transaction. (g) Import transactions of anhydrous hydrogen...

21 CFR 1310.08 - Excluded transactions.

Code of Federal Regulations, 2014 CFR

2014-04-01

... including anhydrous hydrogen chloride. (b) Exports, transshipments, and international transactions of hydrochloric (including anhydrous hydrogen chloride) and sulfuric acids, except for exports, transshipments and... less, and no greater than one package per transaction. (g) Import transactions of anhydrous hydrogen...

Effect of voids on Arrhenius relationship between H-solubility and temperature in nickel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Q.Y.; Sun, X.K.; Hu, Z.Q.

1997-01-15

Many investigations about the states of hydrogen in voids within metals have been carried out over the past years. These probable states of hydrogen in the voids are directly relevant to hydrogen embrittlement mechanisms. Therefore, a knowledge of the states of hydrogen in the voids is important to an understanding of hydrogen-related degradation of material properties. Some results show that hydrogen exists as a molecule in the voids, while others suggest it is in the chemisorbed state on the internal surface of the voids. The results of Sung-Man lee et al. suggested that hydrogen in the voids in nickel existsmore » both in the gaseous and chemisorbed stats, and most of the hydrogen trapped in the voids seems to be present as a chemisorbed state in 1 atm. hydrogen pressure in the temperature range of 350--582 C. But there is no quantitative description concerning the effects of the voids on the solubility of hydrogen in materials. The purpose of this work is to describe quantitatively the effects of the voids on hydrogen solubility in nickel, considering hydrogen exists as gaseous and chemisorbed states in the voids, and the very weak physical adsorption above room temperature is neglected.« less

A DFT investigation on group 8B transition metal-doped silicon carbide nanotubes for hydrogen storage application

NASA Astrophysics Data System (ADS)

Tabtimsai, Chanukorn; Ruangpornvisuti, Vithaya; Tontapha, Sarawut; Wanno, Banchob

2018-05-01

The binding of group 8B transition metal (TMs) on silicon carbide nanotubes (SiCNT) hydrogenated edges and the adsorption of hydrogen molecule on the pristine and TM-doped SiCNTs were investigated using the density functional theory method. The B3LYP/LanL2DZ method was employed in all calculations for the considered structural, adsorption, and electronic properties. The Os atom doping on the SiCNT is found to be the strongest binding. The hydrogen molecule displays a weak interaction with pristine SiCNT, whereas it has a strong interaction with TM-doped SiCNTs in which the Os-doped SiCNT shows the strongest interaction with the hydrogen molecule. The improvement in the adsorption abilities of hydrogen molecule onto TM-doped SiCNTs is due to the protruding structure and the induced charge transfer between TM-doped SiCNT and hydrogen molecule. These observations point out that TM-doped SiCNTs are highly sensitive toward hydrogen molecule. Moreover, the adsorptions of 2-5 hydrogen molecules on TM-doped SiCNT were also investigated. The maximum storage number of hydrogen molecules adsorbed on the first layer of TM-doped SiCNTs is 3 hydrogen molecules. Therefore, TM-doped SiCNTs are suitable to be sensing and storage materials for hydrogen gas.

Center-to-limb variation of solar line profiles as a test of NLTE line formation calculations

NASA Astrophysics Data System (ADS)

Allende Prieto, C.; Asplund, M.; Fabiani Bendicho, P.

2004-09-01

We present new observations of the center-to-limb variation of spectral lines in the quiet Sun. Our long-slit spectra are corrected for scattered light, which amounts to 4-8% of the continuum intensity, by comparison with a Fourier transform spectrum of the disk center. Different spectral lines exhibit different behaviors, depending on their sensitivity to the physical conditions in the photosphere and the range of depths they probe as a function of the observing angle, providing a rich database to test models of the solar photosphere and line formation. We examine the effect of inelastic collisions with neutral hydrogen in NLTE line formation calculations of the oxygen infrared triplet, and the Na I λ6160.8 line. Adopting a classical one-dimensional theoretical model atmosphere, we find that the sodium transition, formed in higher layers, is more effectively thermalized by hydrogen collisions than the high-excitation oxygen lines. This result appears as a simple consequence of the decrease of the ratio NH/Ne with depth in the solar photosphere. The center-to-limb variation of the selected lines is studied both under LTE and NLTE conditions. In the NLTE analysis, inelastic collisions with hydrogen atoms are considered with a simple approximation or neglected, in an attempt to test the validity of such approximation. For the sodium line studied, the best agreement between theory and observation happens when NLTE is considered and inelastic collisions with hydrogen are neglected in the rate equations. The analysis of the oxygen triplet benefits from a very detailed calculation using an LTE three-dimensional model atmosphere and NLTE line formation. The χ2 statistics favors including hydrogen collisions with the approximation adopted, but the oxygen abundance derived in that case is significantly higher than the value derived from OH infrared transitions. GCT spectra are only available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/423/1109

Anti-ulcer agents: chemical aspect of solving the problem

NASA Astrophysics Data System (ADS)

Rogoza, L. N.; Salakhutdinov, N. F.

2015-01-01

The data on chemical structures and specific activities of compounds functioning as histamine H2-receptor antagonists, H+/K+-ATPase inhibitors at the exchange sites of hydrogen ions (proton pump inhibitors) and potassium ions (K+-competitive acid blockers) published from 1990 to 2013 are surveyed. The antisecretory agents with studied cytoprotective activity or with additional therapeutic properties compensating for disorders of internal defence mechanisms are presented. A separate section is devoted to the drugs that prevent or mitigate the NSAID-induced intestinal damage. All of the considered structures are classified according to the type of biological mechanism of action. Some aspects of the structure-activity relationships for such compounds are considered. The bibliography includes 83 references.

Hydrogen transport membranes

DOEpatents

Mundschau, Michael V.

2005-05-31

Composite hydrogen transport membranes, which are used for extraction of hydrogen from gas mixtures are provided. Methods are described for supporting metals and metal alloys which have high hydrogen permeability, but which are either too thin to be self supporting, too weak to resist differential pressures across the membrane, or which become embrittled by hydrogen. Support materials are chosen to be lattice matched to the metals and metal alloys. Preferred metals with high permeability for hydrogen include vanadium, niobium, tantalum, zirconium, palladium, and alloys thereof. Hydrogen-permeable membranes include those in which the pores of a porous support matrix are blocked by hydrogen-permeable metals and metal alloys, those in which the pores of a porous metal matrix are blocked with materials which make the membrane impervious to gases other than hydrogen, and cermets fabricated by sintering powders of metals with powders of lattice-matched ceramic.

Systems and methods for generation of hydrogen peroxide vapor

DOEpatents

Love, Adam H; Eckels, Joel Del; Vu, Alexander K; Alcaraz, Armando; Reynolds, John G

2014-12-02

A system according to one embodiment includes a moisture trap for drying air; at least one of a first container and a second container; and a mechanism for at least one of: bubbling dried air from the moisture trap through a hydrogen peroxide solution in the first container for producing a hydrogen peroxide vapor, and passing dried air from the moisture trap into a headspace above a hydrogen peroxide solution in the second container for producing a hydrogen peroxide vapor. A method according one embodiment includes at least one of bubbling dried air through a hydrogen peroxide solution in a container for producing a first hydrogen peroxide vapor, and passing dried air from the moisture trap into a headspace above the hydrogen peroxide solution in a container for producing a second hydrogen peroxide vapor. Additional systems and methods are also presented.

Hydrogen interactions with metals

NASA Technical Reports Server (NTRS)

Mclellan, R. B.; Harkins, C. G.

1975-01-01

Review of the literature on the nature and extent of hydrogen interactions with metals and the role of hydrogen in metal failure. The classification of hydrogen-containing systems is discussed, including such categories as covalent hydrides, volatile hydrides, polymeric hydrides, and transition metal hydride complexes. The use of electronegativity as a correlating parameter in determining hydride type is evaluated. A detailed study is made of the thermodynamics of metal-hydrogen systems, touching upon such aspects as hydrogen solubility, the positions occupied by hydrogen atoms within the solvent metal lattice, the derivation of thermodynamic functions of solid solutions from solubility data, and the construction of statistical models for hydrogen-metal solutions. A number of theories of hydrogen-metal bonding are reviewed, including the rigid-band model, the screened-proton model, and an approach employing the augmented plane wave method to solve the one-electron energy band problem. Finally, the mechanism of hydrogen embrittlement is investigated on the basis of literature data concerning stress effects and the kinetics of hydrogen transport to critical sites.

Temporal variations in parameters reflecting terminal-electron-accepting processes in an aquifer contaminated with waste fuel and chlorinated solvents

USGS Publications Warehouse

McGuire, Jennifer T.; Smith, Erik W.; Long, David T.; Hyndman, David W.; Haack, Sheridan K.; Klug, Michael J.; Velbel, Michael A.

2000-01-01

A fundamental issue in aquifer biogeochemistry is the means by which solute transport, geochemical processes, and microbiological activity combine to produce spatial and temporal variations in redox zonation. In this paper, we describe the temporal variability of TEAP conditions in shallow groundwater contaminated with both waste fuel and chlorinated solvents. TEAP parameters (including methane, dissolved iron, and dissolved hydrogen) were measured to characterize the contaminant plume over a 3-year period. We observed that concentrations of TEAP parameters changed on different time scales and appear to be related, in part, to recharge events. Changes in all TEAP parameters were observed on short time scales (months), and over a longer 3-year period. The results indicate that (1) interpretations of TEAP conditions in aquifers contaminated with a variety of organic chemicals, such as those with petroleum hydrocarbons and chlorinated solvents, must consider additional hydrogen-consuming reactions (e.g., dehalogenation); (2) interpretations must consider the roles of both in situ (at the sampling point) biogeochemical and solute transport processes; and (3) determinations of microbial communities are often necessary to confirm the interpretations made from geochemical and hydrogeological measurements on these processes.

Efficiency and economics of large scale hydrogen liquefaction. [for future generation aircraft requirements

NASA Technical Reports Server (NTRS)

Baker, C. R.

1975-01-01

Liquid hydrogen is being considered as a substitute for conventional hydrocarbon-based fuels for future generations of commercial jet aircraft. Its acceptance will depend, in part, upon the technology and cost of liquefaction. The process and economic requirements for providing a sufficient quantity of liquid hydrogen to service a major airport are described. The design is supported by thermodynamic studies which determine the effect of process arrangement and operating parameters on the process efficiency and work of liquefaction.

Hydrogen underground storage in siliciclastic reservoirs - intention and topics of the H2STORE project

NASA Astrophysics Data System (ADS)

Pudlo, Dieter; Ganzer, Leonhard; Henkel, Steven; Liebscher, Axel; Kühn, Michael; De Lucia, Marco; Panfilov, Michel; Pilz, Peter; Reitenbach, Viktor; Albrecht, Daniel; Würdemann, Hilke; Gaupp, Reinhard

2013-04-01

The transfer of energy supply from nuclear and CO2-emitting power generation to renewable energy production sources is strongly reliant to the potential of storing high capacities of energy in a safe and reliable way in time spans of several months. One conceivable option can be the storage of hydrogen and (related) synthetic natural gas (SNG) production in appropriate underground structures, like salt caverns and pore space reservoirs. Successful storage of hydrogen in the form of town gas in salt caverns has been proven in several demonstration projects and can be considered as state of the art technology. However, salt structures have only limited importance for hydrogen storage due to only small cavern volumes and the limited occurrence of salt deposits suitable for flushing of cavern constructions. Thus, regarding potential high-volume storage sites, siliciclastic deposits like saline aquifers and depleted gas reservoirs are of increasing interest. Motivated by a project call and sponsored by the German government the H2STORE ("Hydrogen to Store") collaborative project will investigate the feasibility and the requirements for pore space storage of hydrogen. Thereby depleted gas reservoirs are a major concern of this study. This type of geological structure is chosen because of their well investigated geological settings and proved sealing capacities, which already enable a present (and future) use as natural (and synthetic) reservoir gas storages. Nonetheless hydrogen and hydrocarbon in porous media exhibit major differences in physico-chemical behaviour, essentially due to the high diffusivity and reactivity of hydrogen. The biotic and abiotic reactions of hydrogen with rocks and fluids will be necessary observed in siliciclastic sediments which consist of numerous inorganic and organic compounds and comprise original formation fluids. These features strongly control petrophysical behaviour (e.g. porosity, permeability) and therefore fluid (hydrogen) migration. To reveal the relevance of these interactions and their impact on petrophysics and fluid mechanics in H2STORE six subprojects are included, which are devoted to various aspects of hydrogen storage in pore space reservoirs. The analytical and (laboratory) experimental studies will be based on rock and fluid samples issued from different reservoir sandstone and cap rock mudstone types originated from different depths all over Germany. Thereby data on sedimentological, geochemical, mineralogical, hydrochemical, petrophysical and microbiological rock composition will be gained. These studies will be completed with conceptual mathematical and numerical modelling of dynamic reservoir processes, including basin/facies burial evolution, mineralogical alteration, hydro-/geochemical reactions and gas mixing processes coupled with population dynamics of methanogenic microorganisms and dynamic displacement instability effects. The estimation of the hydrogen impact on reservoir behaviour of different rock types at depths will enable an evaluation of the feasibility of "Eco-/Green" methane and synthetic natural gas (SNG) generation by hydrogen reaction with CO2. The verification/falsification of specific processes will also enhance predictions on the operational reliability, the ecological tolerance, and the economic efficiency of future energy storing plants. These aspects are main motivations for any industrial investors and the public acceptance of such new technologies within the framework of an overall power supply by renewable energy production.

Improvement of ecological characteristics of the hydrogen diesel engine

NASA Astrophysics Data System (ADS)

Natriashvili, T.; Kavtaradze, R.; Glonti, M.

2018-02-01

In the article are considered the questions of influence of a swirl intensity of the shot and injector design on the ecological indices of the hydrogen diesel, little-investigated till now. The necessity of solution of these problems arises at conversion of the serial diesel engine into the hydrogen diesel. The mathematical model consists of the three-dimensional non-stationary equations of transfer and also models of turbulence and combustion. The numerical experiments have been carried out with the use of program code FIRE. The optimal values of parameters of the working process, ensuring improvement of the effective and ecological indices of the hydrogen diesel are determined.

Choosing An Alloy For Automotive Stirling Engines

NASA Technical Reports Server (NTRS)

Stephens, Joseph R.

1988-01-01

Report describes study of chemical compositions and microstructures of alloys for automotive Stirling engines. Engines offer advantages of high efficiency, low pollution, low noise, and ability to use variety of fuels. Twenty alloys evaluated for resistance to corrosion permeation by hydrogen, and high temperature. Iron-based alloys considered primary candidates because of low cost. Nickel-based alloys second choice in case suitable iron-based alloy could not be found. Cobalt-based alloy included for comparison but not candidate, because it is expensive strategic material.

Micro-Machined Thin Film Sensor Arrays For The Detection Of H2, Containing Gases, And Method Of Making And Using The Same.

DOEpatents

DiMeo, Jr., Frank; Baum, Thomas H.

2003-07-22

The present invention provides a hydrogen sensor including a thin film sensor element formed by metal organic chemical vapor deposition (MOCVD) or physical vapor deposition (PVD), on a micro-hotplate structure. The thin film sensor element includes a film of a hydrogen-interactive metal film that reversibly interacts with hydrogen to provide a correspondingly altered response characteristic, such as optical transmissivity, electrical conductance, electrical resistance, electrical capacitance, magneto resistance, photoconductivity, etc., relative to the response characteristic of the film in the absence of hydrogen. The hydrogen-interactive metal film may be overcoated with a thin film hydrogen-permeable barrier layer to protect the hydrogen-interactive film from deleterious interaction with non-hydrogen species. The hydrogen permeable barrier may comprise species to scavenge oxygen and other like species. The hydrogen sensor of the invention may be usefully employed for the detection of hydrogen in an environment susceptible to the incursion or generation of hydrogen and may be conveniently configured as a hand-held apparatus.

Hydrogen by electrolysis of water

NASA Technical Reports Server (NTRS)

1975-01-01

Hydrogen production by electrolytic decomposition of water is explained. Power efficiency, efficient energy utilization, and costs were emphasized. Four systems were considered: two were based on current electrolyzer technology using present efficiency values for electrical generation by fossil fired and nuclear thermal stations, and two using projected electrolyzer technology with advanced fossil and nuclear plants.

Verification of kinetic schemes of hydrogen ignition and combustion in air

NASA Astrophysics Data System (ADS)

Fedorov, A. V.; Fedorova, N. N.; Vankova, O. S.; Tropin, D. A.

2018-03-01

Three chemical kinetic models for hydrogen combustion in oxygen and three gas-dynamic models for reactive mixture flow behind the initiating SW front were analyzed. The calculated results were compared with experimental data on the dependences of the ignition delay on the temperature and the dilution of the mixture with argon or nitrogen. Based on detailed kinetic mechanisms of nonequilibrium chemical transformations, a mathematical technique for describing the ignition and combustion of hydrogen in air was developed using the ANSYS Fluent code. The problem of ignition of a hydrogen jet fed coaxially into supersonic flow was solved numerically. The calculations were carried out using the Favre-averaged Navier-Stokes equations for a multi-species gas taking into account chemical reactions combined with the k-ω SST turbulence model. The problem was solved in several steps. In the first step, verification of the calculated and experimental data for the three kinetic schemes was performed without considering the conicity of the flow. In the second step, parametric calculations were performed to determine the influence of the conicity of the flow on the mixing and ignition of hydrogen in air using a kinetic scheme consisting of 38 reactions. Three conical supersonic nozzles for a Mach number M = 2 with different expansion angles β = 4°, 4.5°, and 5° were considered.

Gamma radiation induces hydrogen absorption by copper in water

NASA Astrophysics Data System (ADS)

Lousada, Cláudio M.; Soroka, Inna L.; Yagodzinskyy, Yuriy; Tarakina, Nadezda V.; Todoshchenko, Olga; Hänninen, Hannu; Korzhavyi, Pavel A.; Jonsson, Mats

2016-04-01

One of the most intricate issues of nuclear power is the long-term safety of repositories for radioactive waste. These repositories can have an impact on future generations for a period of time orders of magnitude longer than any known civilization. Several countries have considered copper as an outer corrosion barrier for canisters containing spent nuclear fuel. Among the many processes that must be considered in the safety assessments, radiation induced processes constitute a key-component. Here we show that copper metal immersed in water uptakes considerable amounts of hydrogen when exposed to γ-radiation. Additionally we show that the amount of hydrogen absorbed by copper depends on the total dose of radiation. At a dose of 69 kGy the uptake of hydrogen by metallic copper is 7 orders of magnitude higher than when the absorption is driven by H2(g) at a pressure of 1 atm in a non-irradiated dry system. Moreover, irradiation of copper in water causes corrosion of the metal and the formation of a variety of surface cavities, nanoparticle deposits, and islands of needle-shaped crystals. Hence, radiation enhanced uptake of hydrogen by spent nuclear fuel encapsulating materials should be taken into account in the safety assessments of nuclear waste repositories.

Design principles for hydrogen evolution reaction catalyst materials

DOE PAGES

Strmcnik, Dusan; Lopes, Pietro Papa; Genorio, Bostjan; ...

2016-04-19

Design and synthesis of active, stable and cost-effective materials for efficient hydrogen production (hydrogen evolution reaction, HER) is of paramount importance for the successful deployment of hydrogen -based alternative energy technologies. The HER, seemingly one of the simplest electrochemical reactions, has served for decades to bridge the gap between fundamental electrocatalysis and practical catalyst design. However, there are still many open questions that need to be answered before it would be possible to claim that design principles of catalyst materials are fully developed for the efficient hydrogen production. Here in this review, by summarizing key results for the HER onmore » well-characterized electrochemical interfaces in acidic and alkaline media, we have broadened our understanding of the HER in the whole range of pH by considering three main parameters: the nature of the proton donor (H 3O + in acid and H 2O in alkaline), the energy of adsorption of H ad and OH ad, and the presence of spectator species. Simply by considering these three parameters we show that great deal has already been learned and new trends are beginning to emerge, giving some predictive ability with respect to the nature of electrochemical interface and electrocatalytic activity of the HER.« less

Detonation suppression in hydrogen-air mixtures using porous coatings on the walls

NASA Astrophysics Data System (ADS)

Bivol, G. Yu.; Golovastov, S. V.; Golub, V. V.

2018-05-01

We considered the problem of detonation suppression and weakening of blast wave effects occurring during the combustion of hydrogen-air mixtures in confined spaces. The gasdynamic processes during combustion of hydrogen, an alternative environmentally friendly fuel, were also considered. Detonation decay and flame propagation in hydrogen-air mixtures were experimentally investigated in rectangular cross-section channels with solid walls and two types of porous coatings: steel wool and polyurethane foam. Shock wave pressure dynamics inside the section with porous coating were studied using pressure sensors; flame front propagation was studied using photodiodes and high-speed camera visualization. For all mixtures, the detonation wave formed before entering the section with porous coating. For both porous materials, the steady detonation wave decoupled in the porous section of the channel into a shock wave and flame front propagating with a velocity around the Chapman-Jouguet acoustic velocity. By the end of the porous section, shock wave pressure reductions of 70 and 85% were achieved for the polyurethane foam and steel wool, respectively. The dependence of the flame velocity on the mixture composition (equivalence ratio) is presented.

Hydrodesulfurization of dibenzothiophene on a CoMo/Al{sub 2}O{sub 3} catalyst: Reaction network and kinetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vanrysselberghe, V.; Froment, G.F.

1996-10-01

The hydrodesulfurization of dibenzothiophene on a commercial CoMo/Al{sub 2}O{sub 3} catalyst was studied in a multiphase reactor. The operating conditions were varied over the following range: temperatures, 513--573 K; total pressures, 50--80 bar; molar hydrogen to hydrocarbon ratios, 1.1--4.1. Hougen-Watson rate equations for the hydrogenolysis of dibenzothiophene into biphenyl and H{sub 2}S, for the hydrogenation of dibenzothiophene into tetra- and hexahydrodibenzothiophene, for the hydrogenation of biphenyl into cyclohexylbenzene, and for the subsequent hydrogenation of cyclohexylbenzene into bicyclohexyl were developed. Two different types of active sites were considered: {sigma} sites for hydrogenolysis and {tau} sites for hydrogenation. The surface reaction betweenmore » adsorbed reactants and two competitively adsorbed hydrogen atoms was found to be the rate-determining step for both types of reaction.« less

Hydrogen Atomic Positions of O-H···O Hydrogen Bonds in Solution and in the Solid State: The Synergy of Quantum Chemical Calculations with ¹H-NMR Chemical Shifts and X-ray Diffraction Methods.

PubMed

Siskos, Michael G; Choudhary, M Iqbal; Gerothanassis, Ioannis P

2017-03-07

The exact knowledge of hydrogen atomic positions of O-H···O hydrogen bonds in solution and in the solid state has been a major challenge in structural and physical organic chemistry. The objective of this review article is to summarize recent developments in the refinement of labile hydrogen positions with the use of: (i) density functional theory (DFT) calculations after a structure has been determined by X-ray from single crystals or from powders; (ii) ¹H-NMR chemical shifts as constraints in DFT calculations, and (iii) use of root-mean-square deviation between experimentally determined and DFT calculated ¹H-NMR chemical shifts considering the great sensitivity of ¹H-NMR shielding to hydrogen bonding properties.

A techno-economic analysis of polyhydroxyalkanoate and hydrogen production from syngas fermentation of gasified biomass.

PubMed

Choi, DongWon; Chipman, David C; Bents, Scott C; Brown, Robert C

2010-02-01

A techno-economic analysis was conducted to investigate the feasibility of a gasification-based hybrid biorefinery producing both hydrogen gas and polyhydroxyalkanoates (PHA), biodegradable polymer materials that can be an attractive substitute for conventional petrochemical plastics. The biorefinery considered used switchgrass as a feedstock and converted that raw material through thermochemical methods into syngas, a gaseous mixture composed mainly of hydrogen and carbon monoxide. The syngas was then fermented using Rhodospirillum rubrum, a purple non-sulfur bacterium, to produce PHA and to enrich hydrogen in the syngas. Total daily production of the biorefinery was assumed to be 12 Mg of PHA and 50 Mg of hydrogen gas. Grassroots capital for the biorefinery was estimated to be $55 million, with annual operating costs at $6.7 million. With a market value of $2.00/kg assumed for the hydrogen, the cost of producing PHA was determined to be $1.65/kg.

Surface and Interface Chemistry for Gate Stacks on Silicon

NASA Astrophysics Data System (ADS)

Frank, M. M.; Chabal, Y. J.

This chapter addresses the fundamental silicon surface science associated with the continued progress of nanoelectronics along the path prescribed by Moore's law. Focus is on hydrogen passivation layers and on ultrathin oxide films encountered during silicon cleaning and gate stack formation in the fabrication of metal-oxide-semiconductor field-effect transistors (MOSFETs). Three main topics are addressed. (i) First, the current practices and understanding of silicon cleaning in aqueous solutions are reviewed, including oxidizing chemistries and cleans leading to a hydrogen passivation layer. The dependence of the final surface termination and morphology/roughness on reactant choice and pH and the influence of impurities such as dissolved oxygen or metal ions are discussed. (ii) Next, the stability of hydrogen-terminated silicon in oxidizing liquid and gas phase environments is considered. In particular, the remarkable stability of hydrogen-terminated silicon surface in pure water vapor is discussed in the context of atomic layer deposition (ALD) of high-permittivity (high-k) gate dielectrics where water is often used as an oxygen precursor. Evidence is also provided for co-operative action between oxygen and water vapor that accelerates surface oxidation in humid air. (iii) Finally, the fabrication of hafnium-, zirconium- and aluminum-based high-k gate stacks is described, focusing on the continued importance of the silicon/silicon oxide interface. This includes a review of silicon surface preparation by wet or gas phase processing and its impact on high-k nucleation during ALD growth, and the consideration of gate stack capacitance and carrier mobility. In conclusion, two issues are highlighted: the impact of oxygen vacancies on the electrical characteristics of high-k MOS devices, and the way alloyed metal ions (such as Al in Hf-based gate stacks) in contact with the interfacial silicon oxide layer can be used to control flatband and threshold voltages.

Permeability and flammability study of composite sandwich structures for cryogenic applications

NASA Astrophysics Data System (ADS)

Bubacz, Monika

Fiber reinforced plastics offer advantageous specific strength and stiffness compared to metals and has been identified as candidates for the reusable space transportation systems primary structures including cryogenic tanks. A number of carbon and aramid fiber reinforced plastics have been considered for the liquid hydrogen tanks. Materials selection is based upon mechanical properties and containment performance (long and short term) and upon manufacturing considerations. The liquid hydrogen tank carries shear, torque, end load, and bending moment due to gusts, maneuver, take-off, landing, lift, drag, and fuel sloshing. The tank is pressurized to about 1.5 atmosphere (14.6psi or 0.1 MPa) differential pressure and on ascent maintains the liquid hydrogen at a temperature of 20K. The objective of the research effort into lay the foundation for developing the technology required for reliable prediction of the effects of various design, manufacturing, and service parameters on the susceptibility of composite tanks to develop excessive permeability to cryogenic fuels. Efforts will be expended on developing the materials and structural concepts for the cryogenic tanks that can meet the functional requirements. This will include consideration for double wall composite sandwich structures, with inner wall to meet the cryogenic requirements. The structure will incorporate nanoparticles for properties modifications and developing barriers. The main effort will be extended to tank wall's internal skin design. The main requirements for internal composite stack are: (1) introduction of barrier film (e.g. honeycomb material paper sheet) to reduce the wall permeability to hydrogen, (2) introduction of nanoparticles into laminate resin to prevent micro-cracking or crack propagation. There is a need to characterize and analyze composite sandwich structural damage due to burning and explosion. Better understanding of the flammability and blast resistance of the composite structures needs to be evaluated.

Bioengineering of the Enterobacter aerogenes strain for biohydrogen production.

PubMed

Zhang, Chong; Lv, Feng-Xiang; Xing, Xin-Hui

2011-09-01

Enterobacter aerogenes is one of the most widely-studied model strains for fermentative hydrogen production. To improve the hydrogen yield of E. aerogenes, the bioengineering on a biomolecular level and metabolic network level is of importance. In this review, the fermentative technology of E. aerogenes for hydrogen production will be first briefly summarized. And then the bioengineering of E. aerogenes for the improvement of hydrogen yield will be thoroughly reviewed, including the anaerobic metabolic networks for hydrogen evolution in E. aerogenes, metabolic engineering for improving hydrogen production in E. aerogenes and mixed culture of E. aerogenes with other hydrogen-producing bacteria to enhance the overall yield in anaerobic cultivation. Finally, a perspective on E. aerogenes as a hydrogen producer including systems bioengineering approach for improving the hydrogen yield and application of the engineered E. aerogenes in mixed culture will be presented. Copyright © 2011 Elsevier Ltd. All rights reserved.

Aggregation of nitroaniline in tetrahydrofuran through intriguing H-bond formation by sodium borohydride.

PubMed

Ganguly, Mainak; Mondal, Chanchal; Pal, Anjali; Pratik, Saied Md; Pal, Jaya; Pal, Tarasankar

2014-07-07

The participation of sodium borohydride (NaBH4) in hydrogen bonding interactions and transient anion radical formation has been proved. Thus, the properties of NaBH4 are extended beyond the purview of its normal reducing capability and nucleophilic property. It is reported that ortho- and para-nitroanilines (NAs) form stable aggregates only in tetrahydrofuran (THF) in the presence of NaBH4 and unprecedented orange/red colorations are observed. The same recipe with nitrobenzene instead of nitroanilines (NAs) in the presence of NaBH4 evolves a transient rose red solution due to the formation of a highly fluorescent anion radical. Spectroscopic studies (UV-vis, fluorescence, RLS, Raman, NMR etc.) as well as theoretical calculations supplement the J-aggregate formation of NAs due to extensive hydrogen bonding. This is the first report where BH4(-) in THF has been shown to support such an aggregation process through H-bonding. It is further confirmed that stable intermolecular hydrogen bond-induced aggregation requires a geometrical match in both the nitro- and amino-functionalities attached to the phenyl ring with proper geometry. On the contrary, meta-nitroaniline remains as the odd man out and does not take part in such aggregation. Surprisingly, Au nanoparticles dismantle the J-aggregates of NA in THF. Explicit hydrogen bond formation in NA has been confirmed experimentally considering its promising applications in different fields including non-linear optics.

An electrochemical study of hydrogen uptake and elimination by bare and gold-plated waspaloy

NASA Technical Reports Server (NTRS)

Danford, M. D.; Deramus, G. E., Jr.; Lowery, J. R.

1984-01-01

Two electrochemical methods for the determination of hydrogen concentrations in metals are discussed and evaluated. The take-up of hydrogen at a pressure of 5000 psi by Waspaloy metal was determined experimentally at 24 C. It was found that the metal becomes saturated with hydrogen after an exposure time of about 1 hr. For samples charged with hydrogen at high pressure, most of the hydrogen is contained in the interstitial solid solution of the metal. For electrolytically charged samples, most of the hydrogen is contained as surface and subsurface hydrides. Hydrogen elimination rates were determined for these two cases, with the rate for electrolytically charged samples being greater by over a factor of two. Theoretical effects of high temperature and pressure on hydrogen take-up and elimination by bare and gold plated Waspaloy metal was considered. The breakthrough point for hydrogen at 5000 psi, determined experimentally, lies between a gold thickness of 0.0127 mm (0.0005 in.) and 0.0254 mm (0.001 in.) at 24 C. Electropolishing was found to greatly reduce the uptake of hydrogen at high pressure by Waspaloy metal at 24 C. Possible implications of the results obtained, as they apply to the turbine disk of the space shuttle main engine, are discussed.

Enhanced kinetics of Al{sub 0.97}Ga{sub 0.03}As wet oxidation through the use of hydrogenation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Le Du, M.; Sagnes, I.; Beaudoin, G.

2006-09-11

This letter reports on a different kinetic behavior of the wet thermal oxidation process resulting in Al{sub x}O{sub y} material depending on the AlAs material growth method, molecular beam epitaxy (MBE) or metal organic vapor phase epitaxy (MOVPE). A higher oxidation rate for MOVPE-grown materia is systemically found. Considering the major role of hydrogen in the wet oxidation reaction, it is believed this observation could be linked with the higher hydrogen residual concentration in MOVPE layers. Using a hydrogen plasma, MBE-grown Al{sub 0.97}Ga{sub 0.03}As layers were hydrogened prior to oxidation. This hydrogenated sample showed a ten times enhanced oxidation ratemore » as compared to the nonhydrogenated Al{sub 0.97}Ga{sub 0.03}As sample. This behavior is mainly attributed to a hydrogen induced modification of the diffusion limited regime, enhancing the diffusion length of oxidizing species and reaction products in the oxidized layers.« less

Effect of Doping on Hydrogen Evolution Reaction of Vanadium Disulfide Monolayer.

PubMed

Qu, Yuanju; Pan, Hui; Kwok, Chi Tat; Wang, Zisheng

2015-12-01

As cheap and abundant materials, transitional metal dichalcogenide monolayers have attracted increasing interests for their application as catalysts in hydrogen production. In this work, the hydrogen evolution reduction of doped vanadium disulfide monolayers is investigated based on first-principles calculations. We find that the doping elements and concentration affect strongly the catalytic ability of the monolayer. We show that Ti-doping can efficiently reduce the Gibbs free energy of hydrogen adsorption in a wide range of hydrogen coverage. The catalytic ability of the monolayer at high hydrogen coverage can be improved by low Ti-density doping, while that at low hydrogen coverage is enhanced by moderate Ti-density doping. We further show that it is much easier to substitute the Ti atom to the V atom in the vanadium disulfide (VS2) monolayer than other transitional metal atoms considered here due to its lowest and negative formation energy. It is expected that the Ti-doped VS2 monolayer may be applicable in water electrolysis with improved efficiency.

Muonium in Stishovite: Implications for the Possible Existence of Neutral Atomic Hydrogen in the Earth's Deep Mantle

PubMed Central

Funamori, Nobumasa; Kojima, Kenji M.; Wakabayashi, Daisuke; Sato, Tomoko; Taniguchi, Takashi; Nishiyama, Norimasa; Irifune, Tetsuo; Tomono, Dai; Matsuzaki, Teiichiro; Miyazaki, Masanori; Hiraishi, Masatoshi; Koda, Akihiro; Kadono, Ryosuke

2015-01-01

Hydrogen in the Earth's deep interior has been thought to exist as a hydroxyl group in high-pressure minerals. We present Muon Spin Rotation experiments on SiO2 stishovite, which is an archetypal high-pressure mineral. Positive muon (which can be considered as a light isotope of proton) implanted in stishovite was found to capture electron to form muonium (corresponding to neutral hydrogen). The hyperfine-coupling parameter and the relaxation rate of spin polarization of muonium in stishovite were measured to be very large, suggesting that muonium is squeezed in small and anisotropic interstitial voids without binding to silicon or oxygen. These results imply that hydrogen may also exist in the form of neutral atomic hydrogen in the deep mantle. PMID:25675890

Emergence of a High-Temperature Superconductivity in Hydrogen Cycled pd Compounds as AN Evidence for Superstoihiometric H/d Sites

NASA Astrophysics Data System (ADS)

Lipson, Andrei; Castano, Carlos; Miley, George; Lipson, Andrei; Lyakhov, Boris; Mitin, Alexander

2006-02-01

Transport and magnetic properties of hydrogen cycled PdHx and Pd/PdO:Hx (x ~ (4/6) × 10-4) nano-composite consisting of a Pd matrix with hydrogen trapped inside dislocation cores have been studied. The results suggest emergence of a high-temperature superconductivity state of a condensed hydrogen phase confined inside deep dislocation cores in the Pd matrix. The possible role of hydrogen/deuterium filled dislocation nano-tubes is discussed. These dislocation cores could be considered as active centers of LENR triggering due to (i) short D-D separation distance (~Bohr radius); (ii) high-local D-loading in the Pd and the corresponding effective lattice compression; (iii) a large optic phonon energy resulting in a most effective lattice-nuclei energy transfer.

Chemistry of acetylene on platinum (111) and (100) surfaces

PubMed Central

Muetterties, E. L.; Tasi, M.-C.; Kelemen, S. R.

1981-01-01

An ultra-high vacuum experimental study of acetylene chemisorption on Pt(111) and Pt(100) and of the reaction of hydrogen with the acetylene adsorbate has established distinguishing features of carbon-hydrogen bond breaking and making processes as a function of pressure, temperature, and surface crystallography. The rates for both processes are substantially higher on the Pt(100) surface. Net acetylene-hydrogen processes, in the temperature range of 20°C to ≈130°C, are distinctly different on the two surfaces: on Pt(100) the net reaction is hydrogen exchange (1H-2H exchange) and on Pt(111) the only detectable reaction is hydrogenation. Stereochemical differences in the acetylene adsorbate structure are considered to be a contributing factor to the differences in acetylene chemistry on these two surfaces. Images PMID:16593110

Muonium in Stishovite: Implications for the Possible Existence of Neutral Atomic Hydrogen in the Earth's Deep Mantle

NASA Astrophysics Data System (ADS)

Funamori, Nobumasa; Kojima, Kenji M.; Wakabayashi, Daisuke; Sato, Tomoko; Taniguchi, Takashi; Nishiyama, Norimasa; Irifune, Tetsuo; Tomono, Dai; Matsuzaki, Teiichiro; Miyazaki, Masanori; Hiraishi, Masatoshi; Koda, Akihiro; Kadono, Ryosuke

2015-02-01

Hydrogen in the Earth's deep interior has been thought to exist as a hydroxyl group in high-pressure minerals. We present Muon Spin Rotation experiments on SiO2 stishovite, which is an archetypal high-pressure mineral. Positive muon (which can be considered as a light isotope of proton) implanted in stishovite was found to capture electron to form muonium (corresponding to neutral hydrogen). The hyperfine-coupling parameter and the relaxation rate of spin polarization of muonium in stishovite were measured to be very large, suggesting that muonium is squeezed in small and anisotropic interstitial voids without binding to silicon or oxygen. These results imply that hydrogen may also exist in the form of neutral atomic hydrogen in the deep mantle.

Retail Infrastructure Costs Comparison for Hydrogen and Electricity for Light-Duty Vehicles: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Melaina, M.; Sun, Y.; Bush, B.

2014-08-01

Both hydrogen and plug-in electric vehicles offer significant social benefits to enhance energy security and reduce criteria and greenhouse gas emissions from the transportation sector. However, the rollout of electric vehicle supply equipment (EVSE) and hydrogen retail stations (HRS) requires substantial investments with high risks due to many uncertainties. We compare retail infrastructure costs on a common basis - cost per mile, assuming fueling service to 10% of all light-duty vehicles in a typical 1.5 million person city in 2025. Our analysis considers three HRS sizes, four distinct types of EVSE and two distinct EVSE scenarios. EVSE station costs, includingmore » equipment and installation, are assumed to be 15% less than today's costs. We find that levelized retail capital costs per mile are essentially indistinguishable given the uncertainty and variability around input assumptions. Total fuel costs per mile for battery electric vehicle (BEV) and plug-in hybrid vehicle (PHEV) are, respectively, 21% lower and 13% lower than that for hydrogen fuel cell electric vehicle (FCEV) under the home-dominant scenario. Including fuel economies and vehicle costs makes FCEVs and BEVs comparable in terms of costs per mile, and PHEVs are about 10% less than FCEVs and BEVs. To account for geographic variability in energy prices and hydrogen delivery costs, we use the Scenario Evaluation, Regionalization and Analysis (SERA) model and confirm the aforementioned estimate of cost per mile, nationally averaged, but see a 15% variability in regional costs of FCEVs and a 5% variability in regional costs for BEVs.« less

Hydrogen/deuterium exchange in mass spectrometry.

PubMed

Kostyukevich, Yury; Acter, Thamina; Zherebker, Alexander; Ahmed, Arif; Kim, Sunghwan; Nikolaev, Eugene

2018-03-30

The isotopic exchange approach is in use since the first observation of such reactions in 1933 by Lewis. This approach allows the investigation of the pathways of chemical and biochemical reactions, determination of structure, composition, and conformation of molecules. Mass spectrometry has now become one of the most important analytical tools for the monitoring of the isotopic exchange reactions. Investigation of conformational dynamics of proteins, quantitative measurements, obtaining chemical, and structural information about individual compounds of the complex natural mixtures are mainly based on the use of isotope exchange in combination with high resolution mass spectrometry. The most important reaction is the Hydrogen/Deuterium exchange, which is mainly performed in the solution. Recently we have developed the approach allowing performing of the Hydrogen/Deuterium reaction on-line directly in the ionization source under atmospheric pressure. Such approach simplifies the sample preparation and can accelerate the exchange reaction so that certain hydrogens that are considered as non-labile will also participate in the exchange. The use of in-ionization source H/D exchange in modern mass spectrometry for structural elucidation of molecules serves as the basic theme in this review. We will focus on the mechanisms of the isotopic exchange reactions and on the application of in-ESI, in-APCI, and in-APPI source Hydrogen/Deuterium exchange for the investigation of petroleum, natural organic matter, oligosaccharides, and proteins including protein-protein complexes. The simple scenario for adaptation of H/D exchange reactions into mass spectrometric method is also highlighted along with a couple of examples collected from previous studies. © 2018 Wiley Periodicals, Inc.

Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate.

PubMed

Smith, Graham; Wermuth, Urs D

2010-12-01

The structures of the anhydrous 1:1 proton-transfer compounds of isonipecotamide (piperidine-4-carboxamide) with picric acid and 3,5-dinitrosalicylic acid, namely 4-carbamoylpiperidinium 2,4,6-trinitrophenolate, C(6)H(13)N(2)O(+)·C(6)H(2)N(3)O(7)(-), (I), and 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate [two forms of which were found, the monoclinic α-polymorph, (II), and the triclinic β-polymorph, (III)], C(6)H(13)N(2)O(+)·C(7)H(3)N(2)O(7)(-), have been determined at 200 K. All three compounds form hydrogen-bonded structures, viz. one-dimensional in (II), two-dimensional in (I) and three-dimensional in (III). In (I), the cations form centrosymmetric cyclic head-to-tail hydrogen-bonded homodimers [graph set R(2)(2)(14)] through lateral duplex piperidinium-amide N-H...O interactions. These dimers are extended into a two-dimensional network structure through further interactions with phenolate and nitro O-atom acceptors, including a direct symmetric piperidinium-phenol/nitro N-H...O,O cation-anion association [graph set R(1)(2)(6)]. The monoclinic polymorph, (II), has a similar R(1)(2)(6) cation-anion hydrogen-bonding interaction to (I) but with an additional conjoint symmetrical R(1)(2)(4) interaction as well as head-to-tail piperidinium-amide N-H...O,O hydrogen bonds and amide-carboxyl N-H...O hydrogen bonds, giving a network structure which includes large R(4)(3)(20) rings. The hydrogen bonding in the triclinic polymorph, (III), is markedly different from that of monoclinic (II). The asymmetric unit contains two independent cation-anion pairs which associate through cyclic piperidinium-carboxyl N-H...O,O' interactions [graph set R(1)(2)(4)]. The cations also show the zigzag head-to-tail piperidinium-amide N-H...O hydrogen-bonded chain substructures found in (II), but in addition feature amide-nitro and amide-phenolate N-H...O associations. As well, there is a centrosymmetric double-amide N-H...O(carboxyl) bridged bis(cation-anion) ring system [graph set R(4)(2)(8)] in the three-dimensional framework. The structures reported here demonstrate the utility of the isonipecotamide cation as a synthon with previously unrecognized potential for structure assembly applications. Furthermore, the structures of the two polymorphic 3,5-dinitrosalicylic acid salts show an unusual dissimilarity in hydrogen-bonding characteristics, considering that both were obtained from identical solvent systems.

Development of an operation strategy for hydrogen production using solar PV energy based on fluid dynamic aspects

NASA Astrophysics Data System (ADS)

Amores, Ernesto; Rodríguez, Jesús; Oviedo, José; de Lucas-Consuegra, Antonio

2017-06-01

Alkaline water electrolysis powered by renewable energy sources is one of the most promising strategies for environmentally friendly hydrogen production. However, wind and solar energy sources are highly dependent on weather conditions. As a result, power fluctuations affect the electrolyzer and cause several negative effects. Considering these limiting effects which reduce the water electrolysis efficiency, a novel operation strategy is proposed in this study. It is based on pumping the electrolyte according to the current density supplied by a solar PV module, in order to achieve the suitable fluid dynamics conditions in an electrolysis cell. To this aim, a mathematical model including the influence of electrode-membrane distance, temperature and electrolyte flow rate has been developed and used as optimization tool. The obtained results confirm the convenience of the selected strategy, especially when the electrolyzer is powered by renewable energies.

An assessment of the crash fire hazard of liquid hydrogen fueled aircraft

NASA Technical Reports Server (NTRS)

1982-01-01

The crash fire hazards of liquid hydrogen fueled aircraft relative to those of mission equivalent aircraft fueled either with conventional fuel or with liquefied methane were evaluated. The aircraft evaluated were based on Lockheed Corporation design for 400 passenger, Mach 0.85, 5500 n. mile aircraft. Four crash scenarios were considered ranging from a minor incident causing some loss of fuel system integrity to a catastrophic crash. Major tasks included a review of hazardous properties of the alternate fuels and of historic crash fire data; a comparative hazard evluation for each of the three fuels under four crash scenarios a comprehensive review and analysis and an identification of areas further development work. The conclusion was that the crash fire hazards are not significantly different when compared in general for the three fuels, although some fuels showed minor advantages in one respect or another.

Direct synthesis of hydrogen peroxide from plasma-water interactions

PubMed Central

Liu, Jiandi; He, Bangbang; Chen, Qiang; Li, Junshuai; Xiong, Qing; Yue, Guanghui; Zhang, Xianhui; Yang, Size; Liu, Hai; Liu, Qing Huo

2016-01-01

Hydrogen peroxide (H2O2) is usually considered to be an important reagent in green chemistry since water is the only by-product in H2O2 involved oxidation reactions. Early studies show that direct synthesis of H2O2 by plasma-water interactions is possible, while the factors affecting the H2O2 production in this method remain unclear. Herein, we present a study on the H2O2 synthesis by atmospheric pressure plasma-water interactions. The results indicate that the most important factors for the H2O2 production are the processes taking place at the plasma-water interface, including sputtering, electric field induced hydrated ion emission, and evaporation. The H2O2 production rate reaches ~1200 μmol/h when the liquid cathode is purified water or an aqueous solution of NaCl with an initial conductivity of 10500 μS cm−1. PMID:27917925

Ion Motion Induced Emittance Growth of Matched Electron Beams in Plasma Wakefields

DOE Office of Scientific and Technical Information (OSTI.GOV)

An, Weiming; Lu, Wei; Huang, Chengkun

2017-06-14

Plasma-based acceleration is being considered as the basis for building a future linear collider. Nonlinear plasma wakefields have ideal properties for accelerating and focusing electron beams. Preservation of the emittance of nano-Coulomb beams with nanometer scale matched spot sizes in these wakefields remains a critical issue due to ion motion caused by their large space charge forces. We use fully resolved quasistatic particle-in-cell simulations of electron beams in hydrogen and lithium plasmas, including when the accelerated beam has different emittances in the two transverse planes. The projected emittance initially grows and rapidly saturates with a maximum emittance growth of lessmore » than 80% in hydrogen and 20% in lithium. The use of overfocused beams is found to dramatically reduce the emittance growth. In conclusion, the underlying physics that leads to the lower than expected emittance growth is elucidated.« less

Surpassing the current limitations of biohydrogen production systems: The case for a novel hybrid approach.

PubMed

Boboescu, Iulian Zoltan; Gherman, Vasile Daniel; Lakatos, Gergely; Pap, Bernadett; Bíró, Tibor; Maróti, Gergely

2016-03-01

The steadily increase of global energy requirements has brought about a general agreement on the need for novel renewable and environmentally friendly energy sources and carriers. Among the alternatives to a fossil fuel-based economy, hydrogen gas is considered a game-changer. Certain methods of hydrogen production can utilize various low-priced industrial and agricultural wastes as substrate, thus coupling organic waste treatment with renewable energy generation. Among these approaches, different biological strategies have been investigated and successfully implemented in laboratory-scale systems. Although promising, several key aspects need further investigation in order to push these technologies towards large-scale industrial implementation. Some of the major scientific and technical bottlenecks will be discussed, along with possible solutions, including a thorough exploration of novel research combining microbial dark fermentation and algal photoheterotrophic degradation systems, integrated with wastewater treatment and metabolic by-products usage. Copyright © 2016 Elsevier Ltd. All rights reserved.

SYMBMAT: Symbolic computation of quantum transition matrix elements

NASA Astrophysics Data System (ADS)

Ciappina, M. F.; Kirchner, T.

2012-08-01

We have developed a set of Mathematica notebooks to compute symbolically quantum transition matrices relevant for atomic ionization processes. The utilization of a symbolic language allows us to obtain analytical expressions for the transition matrix elements required in charged-particle and laser induced ionization of atoms. Additionally, by using a few simple commands, it is possible to export these symbolic expressions to standard programming languages, such as Fortran or C, for the subsequent computation of differential cross sections or other observables. One of the main drawbacks in the calculation of transition matrices is the tedious algebraic work required when initial states other than the simple hydrogenic 1s state need to be considered. Using these notebooks the work is dramatically reduced and it is possible to generate exact expressions for a large set of bound states. We present explicit examples of atomic collisions (in First Born Approximation and Distorted Wave Theory) and laser-matter interactions (within the Dipole and Strong Field Approximations and different gauges) using both hydrogenic wavefunctions and Slater-Type Orbitals with arbitrary nlm quantum numbers as initial states. Catalogue identifier: AEMI_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEMI_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 71 628 No. of bytes in distributed program, including test data, etc.: 444 195 Distribution format: tar.gz Programming language: Mathematica Computer: Single machines using Linux or Windows (with cores with any clock speed, cache memory and bits in a word) Operating system: Any OS that supports Mathematica. The notebooks have been tested under Windows and Linux and with versions 6.x, 7.x and 8.x Classification: 2.6 Nature of problem: The notebooks generate analytical expressions for quantum transition matrix elements required in diverse atomic processes: ionization by ion, electron, or photon impact and ionization within the framework of strong field physics. In charged-particle collisions approaches based on perturbation theory enjoy widespread utilization. Accordingly, we have chosen the First Born Approximation and Distorted Wave theories as examples. In light-matter interactions, the main ingredient for many types of calculations is the dipole transition matrix in its different formulations, i.e. length, velocity, and acceleration gauges. In all these cases the transitions of interest occur between a bound state and a continuum state which can be described in different ways. With the notebooks developed in the present work it is possible to calculate transition matrix elements analytically for any set of quantum numbers nlm of initial hydrogenic states or Slater-Type Orbitals and for plane waves or Coulomb waves as final continuum states. Solution method: The notebooks employ symbolic computation to generate analytical expressions for transition matrix elements used in both collision and light-matter interaction physics. fba_hyd.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in the First Born Approximation (FBA). The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a plane wave (PW) or a Coulomb wave (CW). distorted_hyd.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in Distorted Wave (DW) theories. The transitions considered are from a (distorted) bound hydrogenic state with arbitrary quantum numbers nlm to a distorted-wave continuum state. The computations are based on scalar and vectorial integrals (see the text for details). dipoleLength_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in length gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the Strong Field Approximation (SFA)) or a CW (the Coulomb-Volkov Approximation (CVA)). dipoleVelocity_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in velocity gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleAcceleration_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in acceleration gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA). For the case of the CVA we only include the transition from the 1s state to a continuum state represented by a CW. fba_STO.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in the FBA. The transitions considered are from a Slater-Type Orbital (STO) with arbitrary quantum numbers nlm to a continuum state represented by a PW or a CW. distorted_STO.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in DW theories. The transitions considered are from a (distorted) STO with arbitrary quantum numbers nlm to a distorted-wave continuum state. The computations are based on scalar and vectorial integrals (see the text for details). dipoleLength_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in length gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleVelocity_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in velocity gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleAcceleration_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in acceleration gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA). The symbolic expressions obtained within each notebook can be exported to standard programming languages such as Fortran or C using the Format.m package (see the text and Ref. Sofroniou (1993) [16] for details). Running time: Computational times vary according to the transition matrix selected and quantum numbers nlm of the initial state used. The typical running time is several minutes, but it will take longer for large values of nlm.

Hydrogen considerations in light-water power reactons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Keilholtz, G.W.

1976-02-01

A critical review of the literature now available on hydrogen considerations in light-water power reactors (LWRs) and a bibliography of that literature are presented. The subject matter includes mechanisms for the generation of hydrogen-oxygen mixtures, a description of the fundamental properties of such mixtures, and their spontaneous ignition in both static and dynamic systems. The limits for hydrogen flammability and flame propagation are examined in terms of the effects of pressure, temperature, and additives; the emphasis is on the effects of steam and water vapor. The containment systems for pressurized-water reactors (PWRs) and boiling-water reactors (BWRs) are compared, and methodsmore » to control hydrogen and oxygen under the conditions of both normal operation and postulated accidents are reviewed. It is concluded that hydrogen can be controlled so that serious complications from the production of hydrogen will not occur. The bibliography contains abstracts from the computerized files of the Nuclear Safety Information Center. Key-word, author, and permuted-title indexes are provided. The bibliography includes responses to questions asked by the U. S. Nuclear Regulatory Commission (NRC) which relate to hydrogen, as well as information on normal operations and postulated accidents including generation of hydrogen from core sprays. Other topics included in the ten sections of the bibliography are metal-water reactions, containment atmosphere, radiolytic gas, and recombiners.« less

Characteristics of Hydrogen Monitoring Systems for Severe Accident Management at a Nuclear Power Plant

NASA Astrophysics Data System (ADS)

Petrosyan, V. G.; Yeghoyan, E. A.; Grigoryan, A. D.; Petrosyan, A. P.; Movsisyan, M. R.

2018-02-01

One of the main objectives of severe accident management at a nuclear power plant is to protect the integrity of the containment, for which the most serious threat is possible ignition of the generated hydrogen. There should be a monitoring system providing information support of NPP personnel, ensuring data on the current state of a containment gaseous environment and trends in its composition changes. Monitoring systems' requisite characteristics definition issues are considered by the example of a particular power unit. Major characteristics important for proper information support are discussed. Some features of progression of severe accident scenarios at considered power unit are described and a possible influence of the hydrogen concentration monitoring system performance on the information support reliability in a severe accident is analyzed. The analysis results show that the following technical characteristics of the combustible gas monitoring systems are important for the proper information support of NPP personnel in the event of a severe accident at a nuclear power plant: measured parameters, measuring ranges and errors, update rate, minimum detectable concentration of combustible gas, monitoring reference points, environmental qualification parameters of the system components. For NPP power units with WWER-440/270 (230) type reactors, which have a relatively small containment volume, the update period for measurement results is a critical characteristic of the containment combustible gas monitoring system, and the choice of monitoring reference points should be focused not so much on the definition of places of possible hydrogen pockets but rather on the definition of places of a possible combustible mixture formation. It may be necessary for the above-mentioned power units to include in the emergency operating procedures measures aimed at a timely heat removal reduction from the containment environment if there are signs of a severe accident phase approaching to prevent a combustible mixture formation in the containment.

Electronic and optical properties of hydrogenated silicon carbide nanosheets: A DFT study

NASA Astrophysics Data System (ADS)

Delavari, Najmeh; Jafari, Mahmoud

2018-07-01

Density-functional theory has been applied to investigate the effect of hydrogen adsorption on silicon carbide (SiC) nanosheets, considering six, different configurations for adsorption process. The chair-like configuration is found to be the most stable because of the adsorption of hydrogen atoms by silicon and carbon atoms on the opposite sides. The pure and hydrogenated SiC monolayers are also found to be sp2- and sp3-hybridized, respectively. The binding energy of the hydrogen atoms in the chair-like structure is calculated about -3.845 eV, implying the system to be much more stable than the same study based on graphene, though with nearly the same electronic properties, strongly proposing the SiC monolayer to be a promising material for next generation hydrogen storage. Optical properties presented in terms of the real and the imaginary parts of the dielectric function also demonstrate a decrease in the dielectric constant and the static refractive index due to hydrogen adsorption with the Plasmon frequency of the chair-like, hydrogenated monolayer, occurring at higher energies compared to that of the pure one.

Process for hydroliquefying coal or like carbonaceous solid materials

DOEpatents

Malek, John Michael

1977-01-01

In this process the products of the dissolution-hydrogenation of coal or the like material in a hydrocarbon rich solvent are subjected in their slurryform fraction to an asphaltenes decomposing action of an alkali, like caustic soda or, being admixed after the gasiform fraction of the hydrogenation products has been taken off the slurryform fraction of the hydrogenation products now including the admixed alkali is subjected to a rehydrogenation by a hydrogen rich gas which after its rehydrogenating use is preferably applied, as source of hydrogen, to said dissolution-hydrogenation of coal. Optionally the admixed alkali includes minor amounts of a carboxylic acid salt of calcium.

Surface loss probability of atomic hydrogen for different electrode cover materials investigated in H₂-Ar low-pressure plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sode, M., E-mail: maik.sode@ipp.mpg.de; Schwarz-Selinger, T.; Jacob, W.

2014-07-07

In an inductively coupled H₂-Ar plasma at a total pressure of 1.5 Pa, the influence of the electrode cover material on selected line intensities of H, H₂, and Ar are determined by optical emission spectroscopy and actinometry for the electrode cover materials stainless steel, copper, tungsten, Macor{sup ®}, and aluminum. Hydrogen dissociation degrees for the considered conditions are determined experimentally from the measured emission intensity ratios. The surface loss probability β{sub H} of atomic hydrogen is correlated with the measured line intensities, and β{sub H} values are determined for the considered materials. Without the knowledge of the atomic hydrogen temperature,more » β{sub H} cannot be determined exactly. However, ratios of β{sub H} values for different surface materials are in first order approximation independent of the atomic hydrogen temperature. Our results show that β{sub H} of copper is equal to the value of stainless steel, β{sub H} of Macor{sup ®} and tungsten is about 2 times smaller and β{sub H} of aluminum about 5 times smaller compared with stainless steel. The latter ratio is in reasonable agreement with literature. The influence of the atomic hydrogen temperature T{sub H} on the absolute value is thoroughly discussed. For our assumption of T{sub H}=600 K, we determine a β{sub H} for stainless steel of 0.39±0.13.« less

Soft X-ray continuum radiation from low-energy pinch discharges of hydrogen

NASA Astrophysics Data System (ADS)

Mills, R.; Booker, R.; Lu, Y.; Lu

2013-10-01

Under a study contracted by GEN3 Partners, spectra of high current pinch discharges in pure hydrogen and helium were recorded in the extreme ultraviolet radiation region at the Harvard Smithsonian Center for Astrophysics (CfA) in an attempt to reproduce experimental results published by BlackLight Power, Inc. (BLP) showing predicted continuum radiation due to hydrogen in the 10-30 nm region (Mills, R. L. and Lu, Y. 2010 Hydrino continuum transitions with cutoffs at 22.8 nm and 10.1 nm. Int. J. Hydrog. Energy 35, 8446-8456, doi:10.1016?j.ijhydene.2010.05.098). Alternative explanations were considered to the claimed interpretation of the continuum radiation as being that emitted during transitions of H to lower-energy states (hydrinos). Continuum radiation was observed at CfA in the 10-30 nm region that matched BLP's results. Considering the low energy of 5.2 J per pulse, the observed radiation in the energy range of about 120-40 eV, reference experiments and analysis of plasma gases, cryofiltration to remove contaminants, and spectra of the electrode metal, no conventional explanation was found in the prior or present work to be plausible including contaminants, electrode metal emission, and Bremsstrahlung, ion recombination, molecular or molecular ion band radiation, and instrument artifacts involving radicals and energetic ions reacting at the charge-coupled device and H2 re-radiation at the detector chamber. Moreover, predicted selective extraordinarily high-kinetic energy H was observed by the corresponding Doppler broadening of the Balmer α line.

THERMAL PROPERTIES OF SOLID HYDROGEN UNDER PRESSURE (thesis)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Orttung, W.H.

1961-02-01

A calorimeter was designed and constructed for use in the temperature interval 1 to 25 deg K with samples of solid hydrogen under pressures up to 12,000 kg/cm/sup 2/. Unusual features of the calorimeter include the use of two baths for liquid hydrogen or helium, a jaw-type thermal contact capable of high contact pressure, and a set of flanges at the cell level for ready access. The associated high-pressuregenerating apparatus was also designed and constructed. Pressures were generated with oil pumps and an intensifier. The oil was separated from the hydrogen by steel U-tubes half full of mercury, three ofmore » which were required for different pressure ranges. The highest-pressure U-tube was isolated from the rest of the system by mercury frozen in a steel capillary. The hydrogen entered the calorimeter through high-pressure capillary tubing, in which it was then frozen to isolate the sample in the cell. Catalyst chambers were constructed for the conversion of normal hydrogen to para hydrogen, and a three- stage system uti lizing alumina catalyst at liquid-hydrogen temperature was constructed for the separation of ortho hydrogen from para hydrogen. Because the calorimeter was of unconventional design, various modifications and procedures had to bo worked out. A dummy cell was used for these developments. The high- pressure apparatas was tested to 6000 kg/cm/sup 2/ with hydrogen at room temperature. Satisfactory highpressure seals for the low-temperatare cell were not developed soon enough to enable data to be taken. The theory of the anomalous heat capacity for low concentrations of ortho hydrogen or para deuterium Was extended by a calculation based on the angular potential energy between adjacent molecules. At 1 atm it was found that only electrostatic quadrupole-quadrupole interactions had to be considered, but at higher pressures, the valence forces became important. The case of three ortho molecules in a row was also treated in the quadrupole approximation. The heat capacity predicted by this model is somewhat different from that predicted for isolated ortho-ortho pairs. The theory was compared with the avnilable 1-atm data, taking into consideration the relation between the total ortho concentration and the relative amounts of isolated ortho molecules, isolated pairs of ortho molecules, and more complicated configurations. The suggestion of T. Nakamura that an additional term in the anomalous heat capacity proportional to the ortho concentration is needed to explain the data seems to be supported by the analysis, although comparison with a larger amount of data would be desirable. (auth)« less

Metal salt catalysts for enhancing hydrogen spillover

DOEpatents

Yang, Ralph T; Wang, Yuhe

2013-04-23

A composition for hydrogen storage includes a receptor, a hydrogen dissociating metal doped on the receptor, and a metal salt doped on the receptor. The hydrogen dissociating metal is configured to spill over hydrogen to the receptor, and the metal salt is configured to increase a rate of the spill over of the hydrogen to the receptor.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Swain, M.R.

The following report is divided into two sections. The first section describes the results of ignitability tests of high pressure hydrogen and natural gas leaks. The volume of ignitable gases formed by leaking hydrogen or natural gas were measured. Leaking high pressure hydrogen produced a cone of ignitable gases with 28{degrees} included angle. Leaking high pressure methane produced a cone of ignitable gases with 20{degrees} included angle. Ignition of hydrogen produced larger overpressures than did natural gas. The largest overpressures produced by hydrogen were the same as overpressures produced by inflating a 11 inch child`s balloon until it burst.

Estimating changes in urban ozone concentrations due to life cycle emissions from hydrogen transportation systems

NASA Astrophysics Data System (ADS)

Wang, Guihua; Ogden, Joan M.; Chang, Daniel P. Y.

Hydrogen has been proposed as a low polluting alternative transportation fuel that could help improve urban air quality. This paper examines the potential impact of introducing a hydrogen-based transportation system on urban ambient ozone concentrations. This paper considers two scenarios, where significant numbers of new hydrogen vehicles are added to a constant number of gasoline vehicles. In our scenarios hydrogen fuel cell vehicles (HFCVs) are introduced in Sacramento, California at market penetrations of 9% and 20%. From a life cycle analysis (LCA) perspective, considering all the emissions involved in producing, transporting, and using hydrogen, this research compares three hypothetical natural gas to hydrogen pathways: (1) on-site hydrogen production; (2) central hydrogen production with pipeline delivery; and (3) central hydrogen production with liquid hydrogen truck delivery. Using a regression model, this research shows that the daily maximum temperature correlates well with atmospheric ozone formation. However, increases in initial VOC and NO x concentrations do not necessarily increase the peak ozone concentration, and may even cause it to decrease. It is found that ozone formation is generally limited by NO x in the summer and is mostly limited by VOC in the fall in Sacramento. Of the three hydrogen pathways, the truck delivery pathway contributes the most to ozone precursor emissions. Ozone precursor emissions from the truck pathway at 9% market penetration can cause additional 3-h average VOC (or NO x) concentrations up to approximately 0.05% (or 1%) of current pollution levels, and at 20% market penetration up to approximately 0.1% (or 2%) of current pollution levels. However, all of the hydrogen pathways would result in very small (either negative or positive) changes in ozone air quality. In some cases they will result in worse ozone air quality (mostly in July, August, and September), and in some cases they will result in better ozone air quality (mostly in October). The truck pathway tends to cause a much wider fluctuation in degradation or improvement of ozone air quality: percentage changes in peak ozone concentrations are approximately -0.01% to 0.04% for the assumed 9% market penetration, and approximately -0.03% to 0.1% for the 20% market penetration. Moreover, the 20% on-site pathway occasionally results in a decrease of about -0.1% of baseline ozone pollution. Compared to the current ambient pollution level, all three hydrogen pathways are unlikely to cause a serious ozone problem for market penetration levels of HFCVs in the 9-20% range.

Hydrogen Chemical Configuration and Thermal Stability in Tungsten Disulfide Nanoparticles Exposed to Hydrogen Plasma

PubMed Central

Laikhtman, Alex; Makrinich, Gennady; Sezen, Meltem; Yildizhan, Melike Mercan; Martinez, Jose I.; Dinescu, Doru; Prodana, Mariana; Enachescu, Marius; Alonso, Julio A.; Zak, Alla

2017-01-01

The chemical configuration and interaction mechanism of hydrogen adsorbed in inorganic nanoparticles of WS2 are investigated. Our recent approaches of using hydrogen activated by either microwave or radiofrequency plasma dramatically increased the efficiency of its adsorption on the nanoparticles surface. In the current work we make an emphasis on elucidation of the chemical configuration of the adsorbed hydrogen. This configuration is of primary importance as it affects its adsorption stability and possibility of release. To get insight on the chemical configuration, we combined the experimental analysis methods with theoretical modeling based on the density functional theory (DFT). Micro-Raman spectroscopy was used as a primary tool to elucidate chemical bonding of hydrogen and to distinguish between chemi- and physisorption. Hydrogen adsorbed in molecular form (H2) was clearly identified in all the plasma-hydrogenated WS2 nanoparticles samples. It was shown that the adsorbed hydrogen is generally stable under high vacuum conditions at room temperature, which implies its stability at the ambient atmosphere. A DFT model was developed to simulate the adsorption of hydrogen in the WS2 nanoparticles. This model considers various adsorption sites and identifies the preferential locations of the adsorbed hydrogen in several WS2 structures, demonstrating good concordance between theory and experiment and providing tools for optimizing of hydrogen exposure conditions and the type of substrate materials. PMID:28596812

Effect ofHydrogen Use on Diesel Engine Performance

NASA Astrophysics Data System (ADS)

Ceraat, A.; Pana, C.; Negurescu, N.; Nutu, C.; Mirica, I.; Fuiorescu, D.

2016-11-01

Necessity of pollutant emissions decreasing, a great interest aspect discussed at 2015 Paris Climate Conference, highlights the necessity of alternative fuels use at diesel engines. Hydrogen is considered a future fuel for the automotive industry due to its properties which define it as the cleanest fuel and due to the production unlimited sources. The use of hydrogen as fuel for diesel engines has a higher degree of complexity because of some hydrogen particularities which lead to specific issues of the hydrogen use at diesel engine: tendency of uncontrolled ignition with inlet backfire, in-cylinder combustion with higher heat release rates and with high NOx level, storage difficulties. Because hydrogen storing on vehicle board implies important difficulties in terms of safety and automotive range, the partial substitution of diesel fuel by hydrogen injected into the inlet manifold represents the most efficient method. The paper presents the results of the experimental researches carried on a truck diesel engine fuelled with diesel fuel and hydrogen, in-cylinder phenomena's study showing the influence of some parameters on combustion, engine performance and pollutant emissions. The paper novelty is defined by the hydrogen fuelling method applied to diesel engine and the efficient control of the engine running.

Space power technology into the 21st century

NASA Technical Reports Server (NTRS)

Faymon, K. A.; Fordyce, J. S.

1984-01-01

This paper discusses the space power systems of the early 21st century. The focus is on those capabilities which are anticipated to evolve from today's state-of-the-art and the technology development programs presently in place or planned for the remainder of the century. The power system technologies considered include solar thermal, nuclear, radioisotope, photovoltaic, thermionic, thermoelectric, and dynamic conversion systems such as the Brayton and Stirling cycles. Energy storage technologies considered include nickel hydrogen biopolar batteries, advanced high energy rechargeable batteries, regenerative fuel cells, and advanced primary batteries. The present state-of-the-art of these space power and energy technologies is discussed along with their projections, trends and goals. A speculative future mission model is postulated which includes manned orbiting space stations, manned lunar bases, unmanned earth orbital and interplanetary spacecraft, manned interplanetary missions, military applications, and earth to space and space to space transportation systems. The various space power/energy system technologies anticipated to be operational by the early 21st century are matched to these missions.

Space power technology into the 21st Century

NASA Technical Reports Server (NTRS)

Faymon, K. A.; Fordyce, J. S.

1983-01-01

The space power systems of the early 21st century are discussed. The capabilities which are anticipated to evolve from today's state of the art and the technology development programs presently in place or planned for the remainder of the century are emphasized. The power system technologies considered include: solar thermal, nuclear, radioisotope, photovoltaic, thermionic, thermoelectric, and dynamic conversion systems such as the Brayton and Stirling cycles. Energy storage technologies considered include: nickel hydrogen biopolar batteries, advanced high energy rechargeable batteries, regenerative fuel cells, and advanced primary batteries. The present state of the art of these space power and energy technologies is discussed along with their projections, trends and goals. A speculative future mission model is postulated which includes manned orbiting space stations, manned lunar bases, unmanned Earth orbital and interplanetary spacecraft, manned interplanetary missions, military applications, and Earth to space and space to space transportation systems. The various space power/energy system technologies which are anticipated to be operational by the early 21st century are matched to these missions.

Membrane for hydrogen recovery from streams containing hydrogen sulfide

DOEpatents

Agarwal, Pradeep K.

2007-01-16

A membrane for hydrogen recovery from streams containing hydrogen sulfide is provided. The membrane comprises a substrate, a hydrogen permeable first membrane layer deposited on the substrate, and a second membrane layer deposited on the first layer. The second layer contains sulfides of transition metals and positioned on the on a feed side of the hydrogen sulfide stream. The present invention also includes a method for the direct decomposition of hydrogen sulfide to hydrogen and sulfur.

Design and evaluation of active cooling systems for Mach 6 cruise vehicle wings

NASA Technical Reports Server (NTRS)

Mcconarty, W. A.; Anthony, F. M.

1971-01-01

Active cooling systems, which included transpiration, film, and convective cooling concepts, are examined. Coolants included hydrogen, helium, air, and water. Heat shields, radiation barriers, and thermal insulation are considered to reduce heat flow to the cooling systems. Wing sweep angles are varied from 0 deg to 75 deg and wing leading edge radii of 0.05 inch and 2.0 inches are examined. Structural temperatures are varied to allow comparison of aluminum alloy, titanium alloy, and superalloy structural materials. Cooled wing concepts are compared among themselves, and with the uncooled concept on the basis of structural weight, cooling system weight, and coolant weight.

The use of gaseous fuels mixtures for SI engines propulsion

NASA Astrophysics Data System (ADS)

Flekiewicz, M.; Kubica, G.

2016-09-01

Paper presents results of SI engine tests, carried on for different gaseous fuels. Carried out analysis made it possible to define correlation between fuel composition and engine operating parameters. Tests covered various gaseous mixtures: of methane and hydrogen and LPG with DME featuring different shares. The first group, considered as low carbon content fuels can be characterized by low CO2 emissions. Flammability of hydrogen added in those mixtures realizes the function of combustion process activator. That is why hydrogen addition improves the energy conversion by about 3%. The second group of fuels is constituted by LPG and DME mixtures. DME mixes perfectly with LPG, and differently than in case of other hydrocarbon fuels consists also of oxygen makes the stoichiometric mixture less oxygen demanding. In case of this fuel an improvement in engine volumetric and overall engine efficiency has been noticed, when compared to LPG. For the 11% DME share in the mixture an improvement of 2% in the efficiency has been noticed. During the tests standard CNG/LPG feeding systems have been used, what underlines utility value of the research. The stand tests results have been followed by combustion process simulation including exhaust forming and charge exchange.

Hair Treatments and Pregnancy

MedlinePlus

... Common chemicals in hair dyes include hydrogen peroxide, ammonia, and alcohols. Hair curling or permanent wave chemicals include ammonium thioglycolate and ammonia. Hair bleaching chemicals include hydrogen peroxide. Hair straighteners ( ...

Molecular hydrogen sorption capacity of D-shwarzites

NASA Astrophysics Data System (ADS)

Krasnov, Pavel O.; Shkaberina, Guzel S.; Kuzubov, Alexander A.; Kovaleva, Evgenia A.

2017-09-01

Schwarzites are one of the most well-known forms of nanoporous carbon. High porosity and large surface area of these materials make them promising candidates for molecular hydrogen storage. Quantum-chemical modeling showed that hydrogen weight fraction inside D-schwarzite structure depends on the number of atoms per unit cell that determines its size and morphology. D480 schwarzite has demonstrated the largest value of hydrogen sorption capacity amongst the structures considered in this work. It reaches 7.65% at the technologically acceptable values of temperature and pressure (300 K and 10 MPa). Though being lower than that required by DOE (9%), this amount can be increased by using schwarzites with larger unit cell corresponding to the larger surface area.

Cost reductions in nickel-hydrogen battery

NASA Technical Reports Server (NTRS)

Beauchamp, Richard L.; Sindorf, Jack F.

1987-01-01

Significant progress was made toward the development of a commercially marketable hydrogen nickel oxide battery. The costs projected for this battery are remarkably low when one considers where the learning curve is for commercialization of this system. Further developmental efforts on this project are warranted as the H2/NiO battery is already cost competitive with other battery systems.

The Feasibility of Using Hydrogen Peroxide Decomposition Studies for High School Chemistry.

ERIC Educational Resources Information Center

Carter, Gillian E.

1986-01-01

Highlights difficulties that occur when teachers attempt to devise new experiments (use of hydrogen peroxide decomposition) and how seemingly useless results can be turned into productive student projects. Considers effects of ions present in tap water, pH, dust, and nature of vessel's surface. Reaction order and safety precautions are noted. (JN)

Collision cascades enhanced hydrogen redistribution in cobalt implanted hydrogenated diamond-like carbon films

NASA Astrophysics Data System (ADS)

Gupta, P.; Becker, H.-W.; Williams, G. V. M.; Hübner, R.; Heinig, K.-H.; Markwitz, A.

2017-03-01

Hydrogenated diamond-like carbon films produced by C3H6 deposition at 5 kV and implanted at room temperature with 30 keV Co atoms to 12 at.% show not only a bimodal distribution of Co atoms but also a massive redistribution of hydrogen in the films. Resonant nuclear reaction analysis was used to measure the hydrogen depth profiles (15N-method). Depletion of hydrogen near the surface was measured to be as low as 7 at.% followed by hydrogen accumulation from 27 to 35 at.%. A model is proposed considering the thermal energy deposited by collision cascade for thermal insulators. In this model, sufficient energy is provided for dissociated hydrogen to diffuse out of the sample from the surface and diffuse into the sample towards the interface which is however limited by the range of the incoming Co ions. At a hydrogen concentration of ∼35 at.%, the concentration gradient of the mobile unbounded hydrogen atoms is neutralised effectively stopping diffusion towards the interface. The results point towards new routes of controlling the composition and distribution of elements at the nanoscale within a base matrix without using any heat treatment methods. Exploring these opportunities can lead to a new horizon of materials and device engineering needed for enabling advanced technologies and applications.

NASA Hydrogen Peroxide Propellant Hazards Technical Manual

NASA Technical Reports Server (NTRS)

Baker, David L.; Greene, Ben; Frazier, Wayne

2005-01-01

The Fire, Explosion, Compatibility and Safety Hazards of Hydrogen Peroxide NASA technical manual was developed at the NASA Johnson Space Center White Sands Test Facility. NASA Technical Memorandum TM-2004-213151 covers topics concerning high concentration hydrogen peroxide including fire and explosion hazards, material and fluid reactivity, materials selection information, personnel and environmental hazards, physical and chemical properties, analytical spectroscopy, specifications, analytical methods, and material compatibility data. A summary of hydrogen peroxide-related accidents, incidents, dose calls, mishaps and lessons learned is included. The manual draws from art extensive literature base and includes recent applicable regulatory compliance documentation. The manual may be obtained by United States government agencies from NASA Johnson Space Center and used as a reference source for hazards and safe handling of hydrogen peroxide.

Water reactive hydrogen fuel cell power system

DOEpatents

Wallace, Andrew P; Melack, John M; Lefenfeld, Michael

2014-01-21

A water reactive hydrogen fueled power system includes devices and methods to combine reactant fuel materials and aqueous solutions to generate hydrogen. The generated hydrogen is converted in a fuel cell to provide electricity. The water reactive hydrogen fueled power system includes a fuel cell, a water feed tray, and a fuel cartridge to generate power for portable power electronics. The removable fuel cartridge is encompassed by the water feed tray and fuel cell. The water feed tray is refillable with water by a user. The water is then transferred from the water feed tray into a fuel cartridge to generate hydrogen for the fuel cell which then produces power for the user.

Water reactive hydrogen fuel cell power system

DOEpatents

Wallace, Andrew P; Melack, John M; Lefenfeld, Michael

2014-11-25

A water reactive hydrogen fueled power system includes devices and methods to combine reactant fuel materials and aqueous solutions to generate hydrogen. The generated hydrogen is converted in a fuel cell to provide electricity. The water reactive hydrogen fueled power system includes a fuel cell, a water feed tray, and a fuel cartridge to generate power for portable power electronics. The removable fuel cartridge is encompassed by the water feed tray and fuel cell. The water feed tray is refillable with water by a user. The water is then transferred from the water feed tray into the fuel cartridge to generate hydrogen for the fuel cell which then produces power for the user.

Process, including PSA and membrane separation, for separating hydrogen from hydrocarbons

DOEpatents

Baker, Richard W.; Lokhandwala, Kaaeid A.; He, Zhenjie; Pinnau, Ingo

2001-01-01

An improved process for separating hydrogen from hydrocarbons. The process includes a pressure swing adsorption step, a compression/cooling step and a membrane separation step. The membrane step relies on achieving a methane/hydrogen selectivity of at least about 2.5 under the conditions of the process.

Incomplete Combustion of Hydrogen: Trapping a Reaction Intermediate

ERIC Educational Resources Information Center

Mattson, Bruce; Hoette, Trisha

2007-01-01

The combustion of hydrogen in air is quite complex with at least 28 mechanistic steps and twelve reaction species. Most of the species involved are radicals (having unpaired electrons) in nature. Among the various species generated, a few are stable, including hydrogen peroxide. In a normal hydrogen flame, the hydrogen peroxide goes on to further…

Ice method for production of hydrogen clathrate hydrates

DOEpatents

Lokshin, Konstantin [Santa Fe, NM; Zhao, Yusheng [Los Alamos, NM

2008-05-13

The present invention includes a method for hydrogen clathrate hydrate synthesis. First, ice and hydrogen gas are supplied to a containment volume at a first temperature and a first pressure. Next, the containment volume is pressurized with hydrogen gas to a second higher pressure, where hydrogen clathrate hydrates are formed in the process.

Method of generating hydrogen by catalytic decomposition of water

DOEpatents

Balachandran, Uthamalingam; Dorris, Stephen E.; Bose, Arun C.; Stiegel, Gary J.; Lee, Tae-Hyun

2002-01-01

A method for producing hydrogen includes providing a feed stream comprising water; contacting at least one proton conducting membrane adapted to interact with the feed stream; splitting the water into hydrogen and oxygen at a predetermined temperature; and separating the hydrogen from the oxygen. Preferably the proton conducting membrane comprises a proton conductor and a second phase material. Preferable proton conductors suitable for use in a proton conducting membrane include a lanthanide element, a Group VIA element and a Group IA or Group IIA element such as barium, strontium, or combinations of these elements. More preferred proton conductors include yttrium. Preferable second phase materials include platinum, palladium, nickel, cobalt, chromium, manganese, vanadium, silver, gold, copper, rhodium, ruthenium, niobium, zirconium, tantalum, and combinations of these. More preferably second phase materials suitable for use in a proton conducting membrane include nickel, palladium, and combinations of these. The method for generating hydrogen is preferably preformed in the range between about 600.degree. C. and 1,700.degree. C.

Hydrogen embrittlement of structural alloys. A technology survey

NASA Technical Reports Server (NTRS)

Carpenter, J. L., Jr.; Stuhrke, W. F.

1976-01-01

Technical abstracts for about 90 significant documents relating to hydrogen embrittlement of structural metals and alloys are reviewed. Particular note was taken of documents regarding hydrogen effects in rocket propulsion, aircraft propulsion and hydrogen energy systems, including storage and transfer systems.

Apparatus and method for treating pollutants in a gas using hydrogen peroxide and UV light

NASA Technical Reports Server (NTRS)

Cooper, Charles David (Inventor); Clausen, Christian Anthony (Inventor)

2005-01-01

An apparatus for treating pollutants in a gas may include a source of hydrogen peroxide, and a treatment injector for creating and injecting dissociated hydrogen peroxide into the flow of gas. The treatment injector may further include an injector housing having an inlet, an outlet, and a hollow interior extending therebetween. The inlet may be connected in fluid communication with the source of hydrogen peroxide so that hydrogen peroxide flows through the hollow interior and toward the outlet. At least one ultraviolet (UV) lamp may be positioned within the hollow interior of the injector housing. The at least one UV lamp may dissociate the hydrogen peroxide flowing through the tube. The dissociated hydrogen peroxide may be injected into the flow of gas from the outlet for treating pollutants, such as nitrogen oxides.

APPARATUS AND METHOD FOR TREATING POLLUTANTS IN A GAS USING HYDROGEN PEROXIDE AND UV LIGHT

NASA Technical Reports Server (NTRS)

Cooper, Charles David (Inventor); Clauseu, christian Anthony (Inventor)

2005-01-01

An apparatus for treating pollutants in a gas may include a source of hydrogen peroxide, and a treatment injector for creating and injecting dissociated hydrogen peroxide into the flow of gas. The treatment injector may further include an injector housing having an inlet, an outlet, and a hollow interior extending there between. The inlet may be connected in fluid communication with the source of hydrogen peroxide so that hydrogen peroxide flows through the hollow interior and toward the outlet. At least one ultraviolet (UV) lamp may be positioned within the hollow interior of the injector housing. The at least one UV lamp may dissociate the hydrogen peroxide flowing through the tube. The dissociated hydrogen peroxide may be injected into the flow of gas from the outlet for treating pollutants, such as nitrogen oxides.

Oxidation of Molecular Hydrogen by a Chemolithoautotrophic Beggiatoa Strain

PubMed Central

2016-01-01

ABSTRACT A chemolithoautotrophic strain of the family Beggiatoaceae, Beggiatoa sp. strain 35Flor, was found to oxidize molecular hydrogen when grown in a medium with diffusional gradients of oxygen, sulfide, and hydrogen. Microsensor profiles and rate measurements suggested that the strain oxidized hydrogen aerobically when oxygen was available, while hydrogen consumption under anoxic conditions was presumably driven by sulfur respiration. Beggiatoa sp. 35Flor reached significantly higher biomass in hydrogen-supplemented oxygen-sulfide gradient media, but hydrogen did not support growth of the strain in the absence of reduced sulfur compounds. Nevertheless, hydrogen oxidation can provide Beggiatoa sp. 35Flor with energy for maintenance and assimilatory purposes and may support the disposal of internally stored sulfur to prevent physical damage resulting from excessive sulfur accumulation. Our knowledge about the exposure of natural populations of Beggiatoaceae to hydrogen is very limited, but significant amounts of hydrogen could be provided by nitrogen fixation, fermentation, and geochemical processes in several of their typical habitats such as photosynthetic microbial mats and submarine sites of hydrothermal fluid flow. IMPORTANCE Reduced sulfur compounds are certainly the main electron donors for chemolithoautotrophic Beggiatoaceae, but the traditional focus on this topic has left other possible inorganic electron donors largely unexplored. In this paper, we provide evidence that hydrogen oxidation has the potential to strengthen the ecophysiological plasticity of Beggiatoaceae in several ways. Moreover, we show that hydrogen oxidation by members of this family can significantly influence biogeochemical gradients and therefore should be considered in environmental studies. PMID:26896131

Multi-scale theoretical investigation of hydrogen storage in covalent organic frameworks.

PubMed

Tylianakis, Emmanuel; Klontzas, Emmanouel; Froudakis, George E

2011-03-01

The quest for efficient hydrogen storage materials has been the limiting step towards the commercialization of hydrogen as an energy carrier and has attracted a lot of attention from the scientific community. Sophisticated multi-scale theoretical techniques have been considered as a valuable tool for the prediction of materials storage properties. Such techniques have also been used for the investigation of hydrogen storage in a novel category of porous materials known as Covalent Organic Frameworks (COFs). These framework materials are consisted of light elements and are characterized by exceptional physicochemical properties such as large surface areas and pore volumes. Combinations of ab initio, Molecular Dynamics (MD) and Grand Canonical Monte-Carlo (GCMC) calculations have been performed to investigate the hydrogen adsorption in these ultra-light materials. The purpose of the present review is to summarize the theoretical hydrogen storage studies that have been published after the discovery of COFs. Experimental and theoretical studies have proven that COFs have comparable or better hydrogen storage abilities than other competitive materials such as MOF. The key factors that can lead to the improvement of the hydrogen storage properties of COFs are highlighted, accompanied with some recently presented theoretical multi-scale studies concerning these factors.

Theoretical study of hydrogen storage in metal hydrides.

PubMed

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.

Hydrogen as a fuel for today and tomorrow: expectations for advanced hydrogen storage materials/systems research.

PubMed

Hirose, Katsuhiko

2011-01-01

History shows that the evolution of vehicles is promoted by several environmental restraints very similar to the evolution of life. The latest environmental strain is sustainability. Transport vehicles are now facing again the need to advance to use sustainable fuels such as hydrogen. Hydrogen fuel cell vehicles are being prepared for commercialization in 2015. Despite intensive research by the world's scientists and engineers and recent advances in our understanding of hydrogen behavior in materials, the only engineering phase technology which will be available for 2015 is high pressure storage. Thus industry has decided to implement the high pressure tank storage system. However the necessity of smart hydrogen storage is not decreasing but rather increasing because high market penetration of hydrogen fuel cell vehicles is expected from around 2025 onward. In order to bring more vehicles onto the market, cheaper and more compact hydrogen storage is inevitable. The year 2025 seems a long way away but considering the field tests and large scale preparation required, there is little time available for research. Finding smart materials within the next 5 years is very important to the success of fuel cells towards a low carbon sustainable world.

Penetration of hydrogen-based energy system and its potential for causing global environmental change: Scoping risk analysis based on life cycle thinking

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kikuchi, Ryunosuke

2006-03-15

A hydrogen-based economy seems superficially to be environmentally friendly, and many people have worked toward its realization. Today hydrogen is mainly produced by decarbonizing fossil fuels (e.g. natural gas), and in the future decarbonization of both fossil fuels and biomass will play a leading role in the production of hydrogen. The main purpose of this paper is to suggest the identification of potential environmental risks in terms of 'life cycle thinking' (which considers all aspects from production to utilization) with regard to the hydrogen-based economy to come. Hydrogen production by decarbonization results in CO{sub 2} emissions. The final destination ofmore » the recovered CO{sub 2} is uncertain. Furthermore, there is a possibility that hydrogen molecules will escape to the atmosphere, posing risks that could occasion global environmental changes such as depletion of stratospheric ozone, temperature change in the stratosphere and change of the hydrides cycle through global vaporization. Based on the results of simulation, requirements regarding the following items are proposed to minimize potential risks: hydrogen source, production and storage loss.« less

Realizing nanographene activated by a vacancy to solve hydrogen storage problem

NASA Astrophysics Data System (ADS)

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

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

Dirac equation in noncommutative space for hydrogen atom

NASA Astrophysics Data System (ADS)

Adorno, T. C.; Baldiotti, M. C.; Chaichian, M.; Gitman, D. M.; Tureanu, A.

2009-11-01

We consider the energy levels of a hydrogen-like atom in the framework of θ-modified, due to space noncommutativity, Dirac equation with Coulomb field. It is shown that on the noncommutative (NC) space the degeneracy of the levels 2S1 / 2, 2P1 / 2 and 2P3 / 2 is lifted completely, such that new transition channels are allowed.

Use of moments of momentum to predict the crystal habit in potassium hydrogen phthalate

NASA Technical Reports Server (NTRS)

Barber, Patrick G.; Petty, John T.

1990-01-01

A relatively simple calculation of the moments of momentum predicts the morphological order of crystal faces for potassium hydrogen phthalate. The effects on the habit caused by the addition of monomeric, dimeric, and larger aggregates during crystal growth are considered. The first six of the seven observed crystal faces are predicted with this method.

Effect of biogas sparging on the performance of bio-hydrogen reactor over a long-term operation.

PubMed

Nualsri, Chatchawin; Kongjan, Prawit; Reungsang, Alissara; Imai, Tsuyoshi

2017-01-01

This study aimed to enhance hydrogen production from sugarcane syrup by biogas sparging. Two-stage continuous stirred tank reactor (CSTR) and upflow anaerobic sludge blanket (UASB) reactor were used to produce hydrogen and methane, respectively. Biogas produced from the UASB was used to sparge into the CSTR. Results indicated that sparging with biogas increased the hydrogen production rate (HPR) by 35% (from 17.1 to 23.1 L/L.d) resulted from a reduction in the hydrogen partial pressure. A fluctuation of HPR was observed during a long term monitoring because CO2 in the sparging gas and carbon source in the feedstock were consumed by Enterobacter sp. to produce succinic acid without hydrogen production. Mixed gas released from the CSTR after the sparging can be considered as bio-hythane (H2+CH4). In addition, a continuous sparging biogas into CSTR release a partial pressure in the headspace of the methane reactor. In consequent, the methane production rate is increased.

In Situ Formation of AgCo Stabilized on Graphitic Carbon Nitride and Concomitant Hydrolysis of Ammonia Borane to Hydrogen.

PubMed

Wang, Qi; Xu, Caili; Ming, Mei; Yang, Yingchun; Xu, Bin; Wang, Yi; Zhang, Yun; Wu, Jie; Fan, Guangyin

2018-04-26

The development of highly-efficient heterogeneous supported catalysts for catalytic hydrolysis of ammonia borane to yield hydrogen is of significant importance considering the versatile usages of hydrogen. Herein, we reported the in situ synthesis of AgCo bimetallic nanoparticles supported on g-C₃N₄ and concomitant hydrolysis of ammonia borane for hydrogen evolution at room temperature. The as-synthesized Ag 0.1 Co 0.9 /g-C₃N₄ catalysts displayed the highest turnover frequency (TOF) value of 249.02 mol H₂·(mol Ag ·min) −1 for hydrogen evolution from the hydrolysis of ammonia borane, which was higher than many other reported values. Furthermore, the Ag 0.1 Co 0.9 /g-C₃N₄ catalyst could be recycled during five consecutive runs. The study proves that Ag 0.1 Co 0.9 /g-C₃N₄ is a potential catalytic material toward the hydrolysis of ammonia borane for hydrogen production.

The influence of dislocation and hydrogen on thermal helium desorption behavior in Fe9Cr alloys

NASA Astrophysics Data System (ADS)

Zhu, Te; Jin, Shuoxue; Gong, Yihao; Lu, Eryang; Song, Ligang; Xu, Qiu; Guo, Liping; Cao, Xingzhong; Wang, Baoyi

2017-11-01

Transmutation helium may causes serious embrittlement which is considered to be due to helium from clustering as a bubble in materials. Suppression of transmutation helium can be achieved by introducing trapping sites such as dislocations and impurities in materials. Here, effects of intentionally-induced dislocations and hydrogen on helium migrate and release behaviors were investigated using thermal desorption spectrometry (TDS) technique applied to well-annealed and cold-worked Fe9Cr alloys irradiated by energetic helium/hydrogen ions. Synchronous desorption of helium and hydrogen was observed, and the microstructure states during helium release at different temperatures were analyzed. High thermally stable HenD type complexes formed in cold-worked specimens, resulting in the retardation of helium migration and release. The existence of hydrogen will strongly affect the thermal helium desorption which could be reflected in the TDS spectrum. It was confirmed that hydrogen retained in the specimens can result in obvious delay of helium desorption.

Highly Active and Selective Hydrogenation of CO2 to Ethanol by Ordered Pd-Cu Nanoparticles.

PubMed

Bai, Shuxing; Shao, Qi; Wang, Pengtang; Dai, Qiguang; Wang, Xingyi; Huang, Xiaoqing

2017-05-24

Carbon dioxide (CO 2 ) hydrogenation to ethanol (C 2 H 5 OH) is considered a promising way for CO 2 conversion and utilization, whereas desirable conversion efficiency remains a challenge. Herein, highly active, selective and stable CO 2 hydrogenation to C 2 H 5 OH was enabled by highly ordered Pd-Cu nanoparticles (NPs). By tuning the composition of the Pd-Cu NPs and catalyst supports, the efficiency of CO 2 hydrogenation to C 2 H 5 OH was well optimized with Pd 2 Cu NPs/P25 exhibiting high selectivity to C 2 H 5 OH of up to 92.0% and the highest turnover frequency of 359.0 h -1 . Diffuse reflectance infrared Fourier transform spectroscopy results revealed the high C 2 H 5 OH production and selectivity of Pd 2 Cu NPs/P25 can be ascribed to boosting *CO (adsorption CO) hydrogenation to *HCO, the rate-determining step for the CO 2 hydrogenation to C 2 H 5 OH.

Effect of biogas sparging on the performance of bio-hydrogen reactor over a long-term operation

PubMed Central

Nualsri, Chatchawin; Kongjan, Prawit; Imai, Tsuyoshi

2017-01-01

This study aimed to enhance hydrogen production from sugarcane syrup by biogas sparging. Two-stage continuous stirred tank reactor (CSTR) and upflow anaerobic sludge blanket (UASB) reactor were used to produce hydrogen and methane, respectively. Biogas produced from the UASB was used to sparge into the CSTR. Results indicated that sparging with biogas increased the hydrogen production rate (HPR) by 35% (from 17.1 to 23.1 L/L.d) resulted from a reduction in the hydrogen partial pressure. A fluctuation of HPR was observed during a long term monitoring because CO2 in the sparging gas and carbon source in the feedstock were consumed by Enterobacter sp. to produce succinic acid without hydrogen production. Mixed gas released from the CSTR after the sparging can be considered as bio-hythane (H2+CH4). In addition, a continuous sparging biogas into CSTR release a partial pressure in the headspace of the methane reactor. In consequent, the methane production rate is increased. PMID:28207755

Development of Technology and Installation for Biohydrogen Production

NASA Astrophysics Data System (ADS)

Pridvizhkin, S. V.; Vyguzova, M. A.; Bazhenov, O. V.

2017-11-01

The article discusses the method for hydrogen production and the device this method application. The relevance of the use of renewable fuels and the positive impact of renewable energy on the environment and the economy is also considered. The presented technology relates to a method for hydrogen production from organic materials subject to anaerobic fermentation, such as the components of solid municipal waste, sewage sludge and agricultural enterprises wastes, sewage waste. The aim of the research is to develop an effective eco-friendly technology for hydrogen producing within an industrial project To achieve the goal, the following issues have been addressed in the course of the study: - development of the process schemes for hydrogen producing from organic materials; - development of the technology for hydrogen producing; - optimization of a biogas plant with the aim of hydrogen producing at one of the fermentation stages; - approbation of the research results. The article is recommended for engineers and innovators working on the renewable energy development issues.

DFT STUDY OF HYDROGEN STORAGE ON Li- AND Na-DOPED C59B HETEROFULLERENE

NASA Astrophysics Data System (ADS)

Zahedi, Ehsan; Mozaffari, Majid

2014-05-01

Effect of light alkali metal (Li and Na) decorated on the C59B heterofullerene for hydrogen storage is considered using DFT-MPW1PW91 method. Results show that Li and Na atoms strongly prefer to adsorb on top of five-member and six-member ring where a carbon atom is replaced by a boron atom. Significant charge transfer from the alkali metal to the C59B compensates for the electron deficiency of C59B and makes the latter aromatic in nature. Corrected binding energies of hydrogen molecule on the alkali-doped C59B using counterpoise method, structural properties and NBO analysis indicate that first hydrogen molecule is adsorbed physically and does not support minimal conditions of DOE requirement. Finally, positive values of binding energies for the adsorption of a second hydrogen molecule show that alkali doped C59B are capable of storing a maximum of one hydrogen molecule.

Design progress of cryogenic hydrogen system for China Spallation Neutron Source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, G. P.; Zhang, Y.; Xiao, J.

2014-01-29

China Spallation Neutron Source (CSNS) is a large proton accelerator research facility with 100 kW beam power. Construction started in October 2011 and is expected to last 6.5 years. The cryogenic hydrogen circulation is cooled by a helium refrigerator with cooling capacity of 2200 W at 20 K and provides supercritical hydrogen to neutron moderating system. Important progresses of CSNS cryogenic system were concluded as follows. Firstly, process design of cryogenic system has been completed including helium refrigerator, hydrogen loop, gas distribution, and safety interlock. Secondly, an accumulator prototype was designed to mitigate pressure fluctuation caused by dynamic heat loadmore » from neutron moderation. Performance test of the accumulator has been carried out at room and liquid nitrogen temperature. Results show the accumulator with welding bellows regulates hydrogen pressure well. Parameters of key equipment have been identified. The contract for the helium refrigerator has been signed. Mechanical design of the hydrogen cold box has been completed, and the hydrogen pump, ortho-para hydrogen convertor, helium-hydrogen heat exchanger, hydrogen heater, and cryogenic valves are in procurement. Finally, Hydrogen safety interlock has been finished as well, including the logic of gas distribution, vacuum, hydrogen leakage and ventilation. Generally, design and construction of CSNS cryogenic system is conducted as expected.« less

Analysis of the holistic impact of the Hydrogen Economy on the coal industry

NASA Astrophysics Data System (ADS)

Lusk, Shannon Perry

As gas prices soar and energy demand continues to grow amidst increasingly stringent environmental regulations and an assortment of global pressures, implementing alternative energy sources while considering their linked economic, environmental and societal impacts becomes a more pressing matter. The Hydrogen Economy has been proposed as an answer to meeting the increasing energy demand for electric power generation and transportation in an environmentally benign way. Based on current hydrogen technology development, the most practical feedstock to fuel the Hydrogen Economy may prove to be coal via hydrogen production at FutureGen plants. The planned growth of the currently conceived Hydrogen Economy will cause dramatic impacts, some good and some bad, on the economy, the environment, and society, which are interlinked. The goal of this research is to provide tools to inform public policy makers in sorting out policy options related to coal and the Hydrogen Economy. This study examines the impact of a transition to a Hydrogen Economy on the coal industry by creating FutureGen penetration models, forecasting coal MFA's which clearly provide the impact on coal production and associated environmental impacts, and finally formulating a goal programming model that seeks the maximum benefit to society while analyzing the trade-offs between environmental, social, and economical concerns related to coal and the Hydrogen Economy.

Hydrogen: The Ultimate Fuel and Energy Carrier.

ERIC Educational Resources Information Center

Dinga, Gustav P.

1988-01-01

Lists 24 frequently asked questions concerning hydrogen as a fuel with several responses given to each question. Emphasized are hydrogen production, storage, transmission, and application to various energy-consuming sectors. Summarizes current findings and research on hydrogen. An extensive bibliography is included. (ML)

Hydrogen-oxygen steam generator applications for increasing the efficiency, maneuverability and reliability of power production

NASA Astrophysics Data System (ADS)

Schastlivtsev, A. I.; Borzenko, V. I.

2017-11-01

The comparative feasibility study of the energy storage technologies showed good applicability of hydrogen-oxygen steam generators (HOSG) based energy storage systems with large-scale hydrogen production. The developed scheme solutions for the use of HOSGs for thermal power (TPP) and nuclear power plants (NPP), and the feasibility analysis that have been carried out have shown that their use makes it possible to increase the maneuverability of steam turbines and provide backup power supply in the event of failure of the main steam generating equipment. The main design solutions for the integration of hydrogen-oxygen steam generators into the main power equipment of TPPs and NPPs, as well as their optimal operation modes, are considered.

Reaction propagation test. Evaluation of the behavior of nonmetallic materials in hydrogen

NASA Technical Reports Server (NTRS)

Smith, I. D.

1972-01-01

Results of tests conducted to evaluate the behavior of nonmetallic materials in hydrogen are described. The reaction propagation test simulates the conditions resulting from the interaction of an electrical wire in an overload condition in contract with a material in the test medium. The test is designed to evaluate the behavior of a material subjected to an energy input (usually heat) sufficient to cause a reaction which propagates to consume larger quantities of the material. Ten nonmetallic materials were evaluated to establish baseline data on the behavior of nonmetallic materials in hydrogen and to characterize, on an initial basis, one mode of material failure considered to be a factor pertinent to the safe use of a material in hydrogen.

An Analysis of Fuel Cell Options for an All-electric Unmanned Aerial Vehicle

NASA Technical Reports Server (NTRS)

Kohout, Lisa L.; Schmitz, Paul C.

2007-01-01

A study was conducted to assess the performance characteristics of both PEM and SOFC-based fuel cell systems for an all-electric high altitude, long endurance Unmanned Aerial Vehicle (UAV). Primary and hybrid systems were considered. Fuel options include methane, hydrogen, and jet fuel. Excel-based models were used to calculate component mass as a function of power level and mission duration. Total system mass and stored volume as a function of mission duration for an aircraft operating at 65 kft altitude were determined and compared.

New reactions involving the oxidative O-, N-, and C-phosphorylation of organic compounds by phosphorus and phosphides in the presence of metal complexes

NASA Astrophysics Data System (ADS)

Dorfman, Ya A.; Aleshkova, M. M.; Polimbetova, G. S.; Levina, L. V.; Petrova, T. V.; Abdreimova, R. R.; Doroshkevich, D. M.

1993-09-01

The mechanisms of new catalytic reactions leading to the formation of di-, and tri-alkyl phosphates, di- and tri-alkyl phosphites, phosphoramidites, phosphazenes, phosphines, and phosphine oxides from hydrogen, copper, and zinc phosphides and white and red phosphorus are analysed. The mechanisms of the activation of the reactants by metal complexes and of the reactions involving the oxidative P-O, P-N, and P-C coupling of organic compounds to phosphorus and phosphides are considered. The bibliography includes 124 references.

Dynamics of electronic transitions and reemission spectra of attosecond electromagnetic pulses

NASA Astrophysics Data System (ADS)

Matveev, V. I.; Makarov, D. N.

2014-05-01

The processes of reemission of attosecond electromagnetic pulses by systems in nonstationary states have been considered. The probabilities of the reemission of attosecond electromagnetic pulses at the resonance charge exchange of a proton on a hydrogen atom and at the decay of a quasistationary state, as well as the probabilities of the reemission of attosecond pulses by a system in a resonance external field, have been calculated as examples. The developed method can be applied to more complex targets, including targets in the collision state, and to various chemical reactions.

LEO-to-GEO low thrust chemical propulsion

NASA Technical Reports Server (NTRS)

Shoji, J. M.

1980-01-01

One approach being considered for transporting large space structures from low Earth orbit (LEO) to geosynchronous equatorial orbit (GEO) is the use of low thrust chemical propulsion systems. A variety of chemical rocket engine cycles evaluated for this application for oxygen/hydrogen and oxygen/hydrocarbon propellants (oxygen/methane and oxygen/RF-1) are discussed. These cycles include conventional propellant turbine drives, turboalternator/electric motor pump drive, and fuel cell/electric motor pump drive as well as pressure fed engines. Thrust chamber cooling analysis results are presented for regenerative/radiation and film/radiation cooling.

Disilane chemisorption on Si(x)Ge(1-x)(100)-(2 x 1): molecular mechanisms and implications for film growth rates.

PubMed

Ng, Rachel Qiao-Ming; Tok, E S; Kang, H Chuan

2009-07-28

At low temperatures, hydrogen desorption is known to be the rate-limiting process in silicon germanium film growth via chemical vapor deposition. Since surface germanium lowers the hydrogen desorption barrier, Si(x)Ge((1-x)) film growth rate increases with the surface germanium fraction. At high temperatures, however, the molecular mechanisms determining the epitaxial growth rate are not well established despite much experimental work. We investigate these mechanisms in the context of disilane adsorption because disilane is an important precursor used in film growth. In particular, we want to understand the molecular steps that lead, in the high temperature regime, to a decrease in growth rate as the surface germanium increases. In addition, there is a need to consider the issue of whether disilane adsorbs via silicon-silicon bond dissociation or via silicon-hydrogen bond dissociation. It is usually assumed that disilane adsorption occurs via silicon-silicon bond dissociation, but in recent work we provided theoretical evidence that silicon-hydrogen bond dissociation is more important. In order to address these issues, we calculate the chemisorption barriers for disilane on silicon germanium using first-principles density functional theory methods. We use the calculated barriers to estimate film growth rates that are then critically compared to the experimental data. This enables us to establish a connection between the dependence of the film growth rate on the surface germanium content and the kinetics of the initial adsorption step. We show that the generally accepted mechanism where disilane chemisorbs via silicon-silicon bond dissociation is not consistent with the data for film growth kinetics. Silicon-hydrogen bond dissociation paths have to be included in order to give good agreement with the experimental data for high temperature film growth rate.

Influence of molecular electronic properties on the IR spectra of dimeric hydrogen bond systems: polarized spectra of 2-hydroxybenzothiazole and 2-mercaptobenzothiazole crystals

NASA Astrophysics Data System (ADS)

Flakus, Henryk T.; Miros, Artur; Jones, Peter G.

2002-01-01

We have studied the polarized IR spectra of the hydrogen-bonded molecular crystals of 2-hydroxybenzothiazole (HBT) and 2-mercaptobenzothiazole (MBT). The crystal structure of 2-hydroxybenzothiazole was determined by X-ray diffraction. The polarized spectra of the crystals were measured, in the frequency ranges of the νN-H and νN-D bands, at room temperature, and at 77 K. In both systems an extremely strong H/D isotopic effect in the spectra was observed, involving reduction of the well-developed νN-H band fine structure to a single prominent νN-D line only. The two νN-H bands were also shown to exhibit almost identical properties, band shapes, temperature and dichroic properties included. The spectra were quantitatively reconstituted, along with the strong isotopic effect, when calculated using the 'strong-coupling' theory, assuming the centrosymmetric dimers of HBT or MBT to be the structural units responsible for the crystalline spectral properties. The similarity of the spectra of the two crystalline systems was considered to be a result of longer-distance couplings between the proton vibrations in the dimers, via the aromatic ring electrons. When investigating the 'residual' νN-H band shapes for crystals isotopically diluted by deuterium, we observed some 'self-organization' effects in the spectra, indicating the energetically favored presence of two identical hydrogen isotopes in each hydrogen bond dimer.

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

NASA Astrophysics Data System (ADS)

Zhou, Yanan; Chu, Wei; Jing, Fangli; Zheng, Jian; Sun, Wenjing; Xue, Ying

2017-07-01

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-Lix. Additionally, as the amount of adsorbed H2 molecules increase, the H2 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 H2 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.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kotoh, K.; Graduate School of Engineering, Kyushu University, Nishi-ku, Fukuoka; Kubo, K.

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 packedmore » 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)« less

High density H2 associative absorption on Titanium alpha-borozene (Ti2B6H6): An ab-initio case study

NASA Astrophysics Data System (ADS)

Akbarzadeh, Alireza; Tymzcak, C. J.

2011-03-01

Hydrogen is considered as a clean energy carrier that could be a future replacement for our addiction to fossil fuels. However, in order to have hydrogen economy at its highest efficiently we need to store hydrogen at high volumetric and gravimetric density. Using the all electron hybrid density functional theory, we have designed a benzene-like-molecule, Ti2B6H6, which has the promise of achieving this goal. Our results show that the molecule can associatively absorb the hydrogen up to ten percent by weight of hydrogen, which exceeds the 2015 US department of energy target. In this presentation we will discuss the mechanisms of H2 absorption and possible applications of this novel molecule. This research is funded by the Welch Foundation under Grant J. 1675 and the Texas Southern University High Performance Computing Center.

A Theme-Based Course: Hydrogen as the Fuel of the Future

ERIC Educational Resources Information Center

Shultz, Mary Jane; Kelly, Matthew; Paritsky, Leonid; Wagner, Julia

2009-01-01

A theme-based course focusing on the potential role of hydrogen as a future fuel is described. Numerous topics included in typical introductory courses can be directly related to the issue of hydrogen energy. Beginning topics include Avogadro's number, the mole, atomic mass, gas laws, and the role of electrons in chemical transformations. Reaction…

Creep-rupture behavior of seven iron-base alloys after long term aging at 760 deg in low pressure hydrogen

NASA Technical Reports Server (NTRS)

Witzke, W. R.; Stephens, J. R.

1980-01-01

Seven candidate iron-base alloys for heater tube application in the Stirling automotive engine were aged for 3500 hours at 760 C in argon and hydrogen. Aging degraded the tensile and creep-rupture properties. The presence of hydrogen during aging caused additional degradiation of the rupture strength in fine grain alloys. Based on current design criteria for the Mod 1 Stirling engine, N-155 and 19-9DL are considered the only alloys in this study with strengths adequate for heater tube service at 760 C.

The contribution of dissociative processes to the production of atomic lines in hydrogen plasmas

NASA Technical Reports Server (NTRS)

Kunc, J. A.

1985-01-01

The contribution of molecular dissociative processes to the production of atomic lines is considered for a steady-state hydrogen plasma. If the contribution of dissociative processes is dominant, a substantial simplification in plasma diagnostics can be achieved. Numerical calculations have been performed for the production of Balmer alpha, beta, and gamma lines in hydrogen plasmas with medium and large degrees of ionization (x greater than about 0.0001) and for electron temperatures of 5000-45,000 K and electron densities of 10 to the 10th to 10 to the 16th/cu cm.

[The toxic complications of hydrogen sulfide-based balneotherapy in the spa and health resort practice].

PubMed

Khodasevich, L S

2015-01-01

The present literature review was designed to consider the toxic complications of hydrogen sulfide-based balneotherapy encountered in the spa and health resort practice that should actually be regarded as hydrogen sulfide intoxication taking into consideration that their severity depends on the route through which the toxicant enters the body, its concentration in the therapeutic bath, and the overall duration of balneotherapy. Although such complications rarely occur in everyday practice, they may constitute a threat to the patient's health which implies the necessity of adequate measures for their prevention.

Comment on "A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)].

PubMed

Miller, Thomas F; Manolopoulos, David E; Madden, Paul A; Konieczny, Martin; Oberhofer, Harald

2005-02-01

We show that the two phase points considered in the recent simulations of liquid para hydrogen by Hone and Voth lie in the liquid-vapor coexistence region of a purely classical molecular dynamics simulation. By contrast, their phase point for ortho deuterium was in the one-phase liquid region for both classical and quantum simulations. These observations are used to account for their report that quantum mechanical effects enhance the diffusion in liquid para hydrogen and decrease it in ortho deuterium.(c) 2005 American Institute of Physics.

Getter materials for cracking ammonia

DOEpatents

Boffito, Claudio; Baker, John D.

1999-11-02

A method is provided for cracking ammonia to produce hydrogen. The method includes the steps of passing ammonia over an ammonia-cracking catalyst which is an alloy including (1) alloys having the general formula Zr.sub.1-x Ti.sub.x M.sub.1 M.sub.2, wherein M.sub.1 and M.sub.2 are selected independently from the group consisting of Cr, Mn, Fe, Co, and Ni, and x is between about 0.0 and about 1.0 inclusive; and between about 20% and about 50% Al by weight. In another aspect, the method of the invention is used to provide methods for operating hydrogen-fueled internal combustion engines and hydrogen fuel cells. In still another aspect, the present invention provides a hydrogen-fueled internal combustion engine and a hydrogen fuel cell including the above-described ammonia-cracking catalyst.

Generating Aromatics From CO2 on Mars or Natural Gas on Earth

NASA Technical Reports Server (NTRS)

Muscatello, Anthony C.; Zubrin, Robert; Berggren, Mark

2006-01-01

Methane to aromatics on Mars ( METAMARS ) is the name of a process originally intended as a means of converting Martian atmospheric carbon dioxide to aromatic hydrocarbons and oxygen, which would be used as propellants for spacecraft to return to Earth. The process has been demonstrated on Earth on a laboratory scale. A truncated version of the process could be used on Earth to convert natural gas to aromatic hydrocarbon liquids. The greater (relative to natural gas) density of aromatic hydrocarbon liquids makes it more economically feasible to ship them to distant markets. Hence, this process makes it feasible to exploit some reserves of natural gas that, heretofore, have been considered as being "stranded" too far from markets to be of economic value. In the full version of METAMARS, carbon dioxide is frozen out of the atmosphere and fed to a Sabatier reactor along with hydrogen (which, on Mars, would have been brought from Earth). In the Sabatier reactor, these feedstocks are converted to methane and water. The water is condensed and electrolyzed to oxygen (which is liquefied) and hydrogen (which is recycled to the Sabatier reactor). The methane is sent to an aromatization reactor, wherein, over a molybdenum-on-zeolite catalyst at a temperature 700 C, it is partially converted into aromatic hydrocarbons (specifically, benzene, toluene, and naphthalene) along with hydrogen. The aromatics are collected by freezing, while unreacted methane and hydrogen are separated by a membrane. Most of the hydrogen is recycled to the Sabatier reactor, while the methane and a small portion of the hydrogen are recycled to the aromatization reactor. The partial recycle of hydrogen to the aromatization reactor greatly increases the catalyst lifetime and eases its regeneration by preventing the formation of graphitic carbon, which could damage the catalyst. (Moreover, if graphitic carbon were allowed to form, it would be necessary to use oxygen to remove it.) Because the aromatics contain only one hydrogen atom per carbon atom, METAMARS produces four times as much propellant from a given amount of hydrogen as does a related process that includes the Sabatier reaction and electrolysis but not aromatization. In the terrestrial version of METAMARS, the Sabatier reactor and electrolyzer would be omitted, while the hydrogen/ methane membrane-separating membrane, the aromatization reactor, and the unreacted-gas-recycling subsystem would be retained. Natural gas would be fed directly to the aromatization reactor. Because natural gas consists of higher hydrocarbons in addition to methane, the aromatization subprocess should be more efficient than it is for methane alone.

Atomic hydrogen distribution. [in Titan atmospheric model

NASA Technical Reports Server (NTRS)

Tabarie, N.

1974-01-01

Several possible H2 vertical distributions in Titan's atmosphere are considered with the constraint of 5 km-A a total quantity. Approximative calculations show that hydrogen distribution is quite sensitive to two other parameters of Titan's atmosphere: the temperature and the presence of other constituents. The escape fluxes of H and H2 are also estimated as well as the consequent distributions trapped in the Saturnian system.

Comparison of alternate fuels for aircraft. [liquid hydrogen, liquid methane, and synthetic aviation kerosene

NASA Technical Reports Server (NTRS)

Witcofski, R. D.

1979-01-01

Liquid hydrogen, liquid methane, and synthetic aviation kerosene were assessed as alternate fuels for aircraft in terms of cost, capital requirements, and energy resource utilization. Fuel transmission and airport storage and distribution facilities are considered. Environmental emissions and safety aspects of fuel selection are discussed and detailed descriptions of various fuel production and liquefaction processes are given. Technological deficiencies are identified.

Preliminary design of an auxiliary power unit for the space shuttle. Volume 3: Details of system analysis, engineering, and design for selected system

NASA Technical Reports Server (NTRS)

Hamilton, M. L.; Burriss, W. L.

1972-01-01

Numerous candidate APU concepts, each meeting the space shuttle APU problem statement are considered. Evaluation of these concepts indicates that the optimum concept is a hydrogen-oxygen APU incorporating a recuperator to utilize the exhaust energy and using the cycle hydrogen flow as a means of cooling the component heat loads.

Irregular wave functions of a hydrogen atom in a uniform magnetic field

NASA Technical Reports Server (NTRS)

Wintgen, D.; Hoenig, A.

1989-01-01

The highly excited irregular wave functions of a hydrogen atom in a uniform magnetic field are investigated analytically, with wave function scarring by periodic orbits considered quantitatively. The results obtained confirm that the contributions of closed classical orbits to the spatial wave functions vanish in the semiclassical limit. Their disappearance, however, is slow. This discussion is illustrated by numerical examples.

Catalytic Ignition of Ionic Liquid Fuels by Ionic Liquids

DTIC Science & Technology

2014-07-01

catalytically decompose hydrogen peroxide. Catalytic approach for H2O2 decomposition Distribution NOT APPROVED through STINFO process Distribution...Charts 3. DATES COVERED (From - To) July 2014- August 2014 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER In-House Catalytic Ignition of Ionic...are highly hazardous. To gain a true advantage, a more environmentally friendly oxidizer must be considered. Hydrogen peroxide might be an attractive

Effect of species, life stage, and water temperature on the toxicity of hydrogen peroxide to fish

USGS Publications Warehouse

Rach, J.J.; Schreier, Theresa M.; Howe, G.E.; Redman, S.D.

1997-01-01

Hydrogen peroxide is a drug of low regulatory priority status that is effective in treating fish and fish eggs infected by fungi. However, only limited information is available to guide fish culturists in administering hydrogen peroxide to diseased fish. Laboratory tests were conducted to determine (1) the sensitivity of brown trout Salmo trutta, lake trout Salvelinus namaycush, fathead minnow Pimephales promelas, walleye Stizostedion vitreum, channel catfish Ictalurus punctatus, and bluegill Lepomis, machrochirus to hydrogen peroxide treatments; (2) the sensitivity of various life stages of rainbow trout Oncorhynchus mykiss to hydrogen peroxide treatments; and (3) the effect of water temperature on the acute toxicity of hydrogen peroxide to three fish species. Fish were exposed to hydrogen peroxide concentrations ranging from 100 to 5,000 mu L/L (ppm) for 15-min or 45-min treatments every other day for four consecutive treatments to determine the sensitivity of various species and life stages of fish. Except for walleye, most species of fish tested (less than or equal to 2 g) tolerated hydrogen peroxide of 1,000 mu L/L or greater. Walleyes were sensitive to hydrogen peroxide concentrations as low as 100 mu L/L. A correlation was found between the toxicity of hydrogen peroxide and the life stages of rainbow trout; larger fish were more sensitive. Generally, the toxicity of hydrogen peroxide increased for all species as water temperature increased. The results of these experiments demonstrate that it is important to consider the effects of species, life stage, and water temperature when conducting hydrogen peroxide treatments.

Hydrogen-bonding Interactions between Apigenin and Ethanol/Water: A Theoretical Study

NASA Astrophysics Data System (ADS)

Zheng, Yan-Zhen; Zhou, Yu; Liang, Qin; Chen, Da-Fu; Guo, Rui; Lai, Rong-Cai

2016-10-01

In this work, hydrogen-bonding interactions between apigenin and water/ethanol were investigated from a theoretical perspective using quantum chemical calculations. Two conformations of apigenin molecule were considered in this work. The following results were found. (1) For apigenin monomer, the molecular structure is non-planar, and all of the hydrogen and oxygen atoms can be hydrogen-bonding sites. (2) Eight and seven optimized geometries are obtained for apigenin (I)-H2O/CH3CH2OH and apigenin (II)-H2O/CH3CH2OH complexes, respectively. In apigenin, excluding the aromatic hydrogen atoms in the phenyl substituent, all other hydrogen atoms and the oxygen atoms form hydrogen-bonds with H2O and CH3CH2OH. (3) In apigenin-H2O/CH3CH2OH complexes, the electron density and the E(2) in the related localized anti-bonding orbital are increased upon hydrogen-bond formation. These are the cause of the elongation and red-shift of the X-H bond. The sum of the charge change transfers from the hydrogen-bond acceptor to donor. The stronger interaction makes the charge change more intense than in the less stable structures. (4) Most of the hydrogen-bonds in the complexes are electrostatic in nature. However, the C4-O5···H, C9-O4···H and C13-O2···H hydrogen-bonds have some degree of covalent character. Furthermore, the hydroxyl groups of the apigenin molecule are the preferred hydrogen-bonding sites.

Hydrogen and sulfur recovery from hydrogen sulfide wastes

DOEpatents

Harkness, J.B.L.; Gorski, A.J.; Daniels, E.J.

1993-05-18

A process is described for generating hydrogen and elemental sulfur from hydrogen sulfide waste in which the hydrogen sulfide is [dis]associated under plasma conditions and a portion of the hydrogen output is used in a catalytic reduction unit to convert sulfur-containing impurities to hydrogen sulfide for recycle, the process also including the addition of an ionizing gas such as argon to initiate the plasma reaction at lower energy, a preheater for the input to the reactor and an internal adjustable choke in the reactor for enhanced coupling with the microwave energy input.

Hydrogen and sulfur recovery from hydrogen sulfide wastes

DOEpatents

Harkness, John B. L.; Gorski, Anthony J.; Daniels, Edward J.

1993-01-01

A process for generating hydrogen and elemental sulfur from hydrogen sulfide waste in which the hydrogen sulfide is associated under plasma conditions and a portion of the hydrogen output is used in a catalytic reduction unit to convert sulfur-containing impurities to hydrogen sulfide for recycle, the process also including the addition of an ionizing gas such as argon to initiate the plasma reaction at lower energy, a preheater for the input to the reactor and an internal adjustable choke in the reactor for enhanced coupling with the microwave energy input.

Chemical bridges for enhancing hydrogen storage by spillover and methods for forming the same

DOEpatents

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

2012-12-25

A composition for hydrogen storage includes a source of hydrogen atoms, a receptor, and a chemical bridge formed between the source and the receptor. The chemical bridge is formed from a precursor material. The receptor is adapted to receive hydrogen spillover from the source.

A methodology for thermodynamic simulation of high temperature, internal reforming fuel cell systems

NASA Astrophysics Data System (ADS)

Matelli, José Alexandre; Bazzo, Edson

This work presents a methodology for simulation of fuel cells to be used in power production in small on-site power/cogeneration plants that use natural gas as fuel. The methodology contemplates thermodynamics and electrochemical aspects related to molten carbonate and solid oxide fuel cells (MCFC and SOFC, respectively). Internal steam reforming of the natural gas hydrocarbons is considered for hydrogen production. From inputs as cell potential, cell power, number of cell in the stack, ancillary systems power consumption, reformed natural gas composition and hydrogen utilization factor, the simulation gives the natural gas consumption, anode and cathode stream gases temperature and composition, and thermodynamic, electrochemical and practical efficiencies. Both energetic and exergetic methods are considered for performance analysis. The results obtained from natural gas reforming thermodynamics simulation show that the hydrogen production is maximum around 700 °C, for a steam/carbon ratio equal to 3. As shown in the literature, the found results indicate that the SOFC is more efficient than MCFC.

Comparative study of fuel cell, battery and hybrid buses for renewable energy constrained areas

NASA Astrophysics Data System (ADS)

Stempien, J. P.; Chan, S. H.

2017-02-01

Fuel cell- and battery-based public bus technologies are reviewed and compared for application in tropical urban areas. This paper scrutinizes the reported literature on fuel cell bus, fuel cell electric bus, battery electric bus, hybrid electric bus, internal combustion diesel bus and compressed natural gas bus. The comparison includes the capital and operating costs, fuel consumption and fuel cycle emissions. To the best of authors knowledge, this is the first study to holistically compare hydrogen and battery powered buses, which is the original contribution of this paper. Moreover, this is the first study to focus on supplying hydrogen and electricity from fossil resources, while including the associated emissions. The study shows that compressed natural gas and hybrid electric buses appear to be the cheapest options in terms of total cost of ownership, but they are unable to meet the EURO VI emissions' standard requirement. Only fuel cell based buses have the potential to achieve the emissions' standard when the fuel cycle based on fossil energy was considered. Fuel cell electric buses are identified as a technology allowing for the largest CO2 emission reduction, making ∼61% decrease in annual emissions possible.

Aqueous Alteration and Hydrogen Generation on Parent Bodies of Unequilibrated Ordinary Chondrites: Thermodynamic Modeling for the Semarkona Composition

NASA Technical Reports Server (NTRS)

Zolotov, M. Y.; Mironenko, M. V.; Shock, E. L.

2005-01-01

Ordinary chondrites are the most abundant class of meteorites that could represent rocky parts of solar system bodies. However, even the most primitive unequilibrated ordinary chondrites (UOC) reveal signs of mild alteration that affected the matrix and peripheral zones of chondrules. Major chemical changes include oxidation of kamacite, alteration of glass, removal of alkalis, Al, and Si from chondrules, and formation of phases enriched in halogens, alkalis, and hydrogen. Secondary mineralogical changes include formation of magnetite, ferrous olivine, fayalite, pentlandite, awaruite, smectites, phosphates, carbonates, and carbides. Aqueous alteration is consistent with the oxygen isotope data for magnetite. The presence of secondary magnetite, Ni-rich metal alloys, and ferrous silicates in UOC implies that H2O was the oxidizing agent. However, oxidation by H2O means that H2 is produced in each oxidative pathway. In turn, production of H2, and its redistribution and possible escape should have affected total pressure, as well as the oxidation state of gas, aqueous and mineral phases in the parent body. Here we use equilibrium thermodynamic modeling to explore water-rock reactions in UOC. The chemical composition of gas, aqueous, and mineral phases is considered.

Precipitation of Excess Hydrogen in Olivine During Cooling Under Pressures: An Experimental Study

NASA Astrophysics Data System (ADS)

Borinski, S.; Karato, S.

2007-12-01

Water (hydrogen) content in olivine transported from the upper mantle is used to infer the water content in the upper mantle (e.g., Bell and Rossman 1992). However, since hydrogen diffusion is known to be fast, processes of hydrogen loss need to be examined. In many literature, diffusion loss (or gain) of hydrogen is usually considered, but in addition to diffusion loss, hydrogen could also precipitate inside of olivine as small inclusions. Consider an upward transport of olivine-bearing rock that originally contained a large amount of hydrogen in the deep interior. As this rock is transported to the shallow region, the solubility limit of hydrogen will decrease because of the reduction of pressure (and temperature) (Kohlstedt et al. 1996, Zhao et al 2004). Consequently, excess hydrogen will precipitate to form water bubbles and/or hydrous minerals as inclusions. Frequently observed submicron-scale inclusions of hydrous minerals (Khisina and Wirth 2002, Kitamura et al. 1987) may correspond to these precipitation products. If that is the case, hydrogen content corresponding to these minerals should not be excluded when estimating the hydrogen content of a sample in the Earth's upper mantle. However, kinetics of precipitation of hydrogen from olivine have not been investigated in the laboratory. We have conducted a series of experimental study in which we annealed hydrogen-saturated olivine single crystals in two different P- T conditions. The starting material was an olivine crystal in which ~1,135 H/106Si (70 wt ppm H2O) was dissolved at P= 3.5 GPa and T=1,573 K. A small piece of this crystal (0.5 mm3) was placed in a multianvil at P=3.5 GPa and either at T= 873K or 1,173K with oxygen fugacity, fO2, buffered by the Ni-NiO solid-state reaction and silica activity, aSiO2, buffered by the presence of orthopyroxene powder in contact with the crystal. Annealing experiments were conducted up to 72 hours. Hydroxyl concentrations were determined from infrared spectra obtained from polished thin sections from crack-free regions of 100 x 100 μm. The hydroxyl concentration at the OH-stretching region around 3678 cm-1 increases systematically with increasing time at 873 K, whereas this band is not detected in samples annealed at 1,173 K. The peak(s) at 3678 cm-1 corresponds to the OH-stretching vibration in hydrous minerals such as serpentine (Mellini et al. 2002, Hofmeister and Bowey 2006). We conclude that the water in the upper mantle not only diffuse out and disappear during the ascent (cooling and depressurization), but also is bounded in hydrous minerals (e.g. serpentine).

Hydrogen storage compositions

DOEpatents

Li, Wen; Vajo, John J.; Cumberland, Robert W.; Liu, Ping

2011-04-19

Compositions for hydrogen storage and methods of making such compositions employ an alloy that exhibits reversible formation/deformation of BH.sub.4.sup.- anions. The composition includes a ternary alloy including magnesium, boron and a metal and a metal hydride. The ternary alloy and the metal hydride are present in an amount sufficient to render the composition capable of hydrogen storage. The molar ratio of the metal to magnesium and boron in the alloy is such that the alloy exhibits reversible formation/deformation of BH.sub.4.sup.- anions. The hydrogen storage composition is prepared by combining magnesium, boron and a metal to prepare a ternary alloy and combining the ternary alloy with a metal hydride to form the hydrogen storage composition.

Anode reactive bleed and injector shift control strategy

DOEpatents

Cai, Jun [Rochester, NY; Chowdhury, Akbar [Pittsford, NY; Lerner, Seth E [Honeoye Falls, NY; Marley, William S [Rush, NY; Savage, David R [Rochester, NY; Leary, James K [Rochester, NY

2012-01-03

A system and method for correcting a large fuel cell voltage spread for a split sub-stack fuel cell system. The system includes a hydrogen source that provides hydrogen to each split sub-stack and bleed valves for bleeding the anode side of the sub-stacks. The system also includes a voltage measuring device for measuring the voltage of each cell in the split sub-stacks. The system provides two levels for correcting a large stack voltage spread problem. The first level includes sending fresh hydrogen to the weak sub-stack well before a normal reactive bleed would occur, and the second level includes sending fresh hydrogen to the weak sub-stack and opening the bleed valve of the other sub-stack when the cell voltage spread is close to stack failure.

Biohydrogen production in a continuous stirred tank bioreactor from synthesis gas by anaerobic photosynthetic bacterium: Rhodopirillum rubrum.

PubMed

Younesi, Habibollah; Najafpour, Ghasem; Ku Ismail, Ku Syahidah; Mohamed, Abdul Rahman; Kamaruddin, Azlina Harun

2008-05-01

Hydrogen may be considered a potential fuel for the future since it is carbon-free and oxidized to water as a combustion product. Bioconversion of synthesis gas (syngas) to hydrogen was demonstrated in continuous stirred tank bioreactor (CSTBR) utilizing acetate as a carbon source. An anaerobic photosynthetic bacterium, Rhodospirillum rubrum catalyzed water-gas shift reaction which was applied for the bioconversion of syngas to hydrogen. The continuous fermentation of syngas in the bioreactor was continuously operated at various gas flow rates and agitation speeds, for the period of two months. The gas flow rates were varied from 5 to 14 ml/min. The agitation speeds were increasingly altered in the range of 150-500 rpm. The pH and temperature of the bioreactor was set at 6.5 and 30 degrees C. The liquid flow rate was kept constant at 0.65 ml/min for the duration of 60 days. The inlet acetate concentration was fed at 4 g/l into the bioreactor. The hydrogen production rate and yield were 16+/-1.1 mmol g(-1)cell h(-1) and 87+/-2.4% at fixed agitation speed of 500 rpm and syngas flow rate of 14 ml/min, respectively. The mass transfer coefficient (KLa) at this condition was approximately 72.8h(-1). This new approach, using a biocatalyst was considered as an alternative method of conventional Fischer-Tropsch synthetic reactions, which were able to convert syngas into hydrogen.

Effect of subband mixing on the energy levels of a hydrogenic impurity in a GaAs/Ga1-xAlxAs double quantum well in a magnetic field

NASA Astrophysics Data System (ADS)

Nguyen, N.; Ranganathan, R.; McCombe, B. D.; Rustgi, M. L.

1992-05-01

In view of the recent evidence found in favor of subband mixing in coupling of confined impurity states in doped double-quantum-well structures, a variational approach employing Gaussian trial wave functions has been used to calculate the binding energies of the ground, (1s, m=0) and first excited, (2p-, m=-1) states of a hydrogenic donor associated with the mixture of subbands of a double-GaAs quantum well coupled by a layer of Ga1-xA1xAs in the presence of a magnetic field. Two different well sizes and three different locations of the impurity, (A) at the outer edge, (B) at the center, and (C) at the inner edge of the well, are considered, and the barrier width is allowed to vary. It is found that for the structures considered here the results from the calculations using the mixture of only first (symmetric) and second (asymmetric) subbands are significantly different from those using only the lowest (symmetric) subband, especially for the intermediate barrier widths, and depend strongly on the location of the impurity in the well. These results demonstrate that subband mixing should be included in double-quantum-well structure calculations. The effect of varying the magnetic field on the binding energies is also studied. A comparison with the measurements of Ranganathan et al. [Phys. Rev. B 44, 1423 (1991)] demonstrates that the agreement is not improved when mixing of subbands higher than the lowest two is included in the calculation.

Modulating the spin transport behaviors in ZBNCNRs by edge hydrogenation and position of BN chain

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ouyang, Jun; Long, Mengqiu, E-mail: mqlong@csu.edu.cn, E-mail: ygao@csu.edu.cn; Zhang, Dan

2016-03-15

Using the density functional theory and the nonequilibrium Green’s function method, we study the spin transport behaviors in zigzag boron-nitrogen-carbon nanoribbons (ZBNCNRs) by modulating the edge hydrogenation and the position of B-N nanoribbons (BNNRs) chain. The different edge hydrogenations of the ZBNCNRs and the different position relationships of the BNNRs have been considered systematically. Our results show that the metallic, semimetallic and semiconductive properties of the ZBNCNRs can be modulated by the different edge hydrogenations and different position relationships of BN chains. And our proposaled ZBNCNRs devices act as perfect spin-filters with nearly 100% spin polarization. These effects would havemore » potential applications for boron-nitrogen-carbon-based nanomaterials in spintronics nano-devices.« less

Numerical estimation of ultrasonic production of hydrogen: Effect of ideal and real gas based models.

PubMed

Kerboua, Kaouther; Hamdaoui, Oualid

2018-01-01

Based on two different assumptions regarding the equation describing the state of the gases within an acoustic cavitation bubble, this paper studies the sonochemical production of hydrogen, through two numerical models treating the evolution of a chemical mechanism within a single bubble saturated with oxygen during an oscillation cycle in water. The first approach is built on an ideal gas model, while the second one is founded on Van der Waals equation, and the main objective was to analyze the effect of the considered state equation on the ultrasonic hydrogen production retrieved by simulation under various operating conditions. The obtained results show that even when the second approach gives higher values of temperature, pressure and total free radicals production, yield of hydrogen does not follow the same trend. When comparing the results released by both models regarding hydrogen production, it was noticed that the ratio of the molar amount of hydrogen is frequency and acoustic amplitude dependent. The use of Van der Waals equation leads to higher quantities of hydrogen under low acoustic amplitude and high frequencies, while employing ideal gas law based model gains the upper hand regarding hydrogen production at low frequencies and high acoustic amplitudes. Copyright © 2017 Elsevier B.V. All rights reserved.

Processes for making dense, spherical active materials for lithium-ion cells

DOEpatents

Kang, Sun-Ho [Naperville, IL; Amine, Khalil [Downers Grove, IL

2011-11-22

Processes are provided for making dense, spherical mixed-metal carbonate or phosphate precursors that are particularly well suited for the production of active materials for electrochemical devices such as lithium ion secondary batteries. Exemplified methods include precipitating dense, spherical particles of metal carbonates or metal phosphates from a combined aqueous solution using a precipitating agent such as ammonium hydrogen carbonate, sodium hydrogen carbonate, or a mixture that includes sodium hydrogen carbonate. Other exemplified methods include precipitating dense, spherical particles of metal phosphates using a precipitating agent such as ammonium hydrogen phosphate, ammonium dihydrogen phosphate, sodium phosphate, sodium hydrogen phosphate, sodium dihydrogen phosphate, or a mixture of any two or more thereof. Further provided are compositions of and methods of making dense, spherical metal oxides and metal phosphates using the dense, spherical metal precursors. Still further provided are electrodes and batteries using the same.

Competing Intramolecular vs. Intermolecular Hydrogen Bonds in Solution

PubMed Central

Nagy, Peter I.

2014-01-01

A hydrogen bond for a local-minimum-energy structure can be identified according to the definition of the International Union of Pure and Applied Chemistry (IUPAC recommendation 2011) or by finding a special bond critical point on the density map of the structure in the framework of the atoms-in-molecules theory. Nonetheless, a given structural conformation may be simply favored by electrostatic interactions. The present review surveys the in-solution competition of the conformations with intramolecular vs. intermolecular hydrogen bonds for different types of small organic molecules. In their most stable gas-phase structure, an intramolecular hydrogen bond is possible. In a protic solution, the intramolecular hydrogen bond may disrupt in favor of two solute-solvent intermolecular hydrogen bonds. The balance of the increased internal energy and the stabilizing effect of the solute-solvent interactions regulates the new conformer composition in the liquid phase. The review additionally considers the solvent effects on the stability of simple dimeric systems as revealed from molecular dynamics simulations or on the basis of the calculated potential of mean force curves. Finally, studies of the solvent effects on the type of the intermolecular hydrogen bond (neutral or ionic) in acid-base complexes have been surveyed. PMID:25353178

Persistent Hydrogen Production by the Photo-Assisted Microbial Electrolysis Cell Using a p-Type Polyaniline Nanofiber Cathode.

PubMed

Jeon, Yongwon; Kim, Sunghyun

2016-12-08

A microbial electrolysis cell, though considered as a promising, environmentally friendly technology for hydrogen production, suffers from concomitant production of methane. The high hydrogen/methane ratio at the initial operation stage decreases with time. Here we report for the first time the photoassisted microbial electrolysis cell (MEC) for persistent hydrogen production using polyaniline nanofibers as a cathode. Under 0.8 V external bias and laboratory fluorescent light illumination in a single-chamber MEC, continuous hydrogen production from acetate at a rate of 1.78 mH2 3  m -3  d -1 with 79.2 % overall hydrogen recovery was achieved with negligible methane formation for six months. Energy efficiencies based on input electricity as well as input electricity plus substrate were 182 and 66.2 %, respectively. This was attributed to the p-type-semiconductor characteristics of polyaniline nanofibers in which photoexcited electrons are used to reduce protons at the surface and holes are reduced with electrons originating from acetate oxidation at the anode. This method can be extended to microbial wastewater treatment for hydrogen production. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Instruction manual for UTEP weld gas hydrogen detector

NASA Technical Reports Server (NTRS)

Mcclure, John; Pang, Tonghui

1992-01-01

The instrument described in this manual was developed at the University of Texas at El Paso under contract from the National Aeronautics and Space Administration Marshall Space Flight Center. The instrument has been used to detect hydrogen in the shielding gas of Variable Polarity Plasma Arc (VPPA) welds at concentrations of less than 100 ppm. The instrument makes measurements in real time during the welding operation and provides the operator with an easily readable graphic display of the present level of hydrogen in the arc as well as the level of hydrogen over the past approximately five minutes. In this way the welder can not only tell if the present level of hydrogen is excessive, but can see what changes in weld parameters have done to the level of hydrogen. The welder can set the level of hydrogen that is considered critical and the instrument display will indicate when that level has been exceeded. All detection is from the torch side. All needed equipment is supplied by the developer except for an IBM PC compatible computer which must be supplied by the user. Source code is supplied in this manual so that the user can modify the control program as desired.

GIS-based preliminary wind-hydrogen energy assessment: A case study for Pakistan

NASA Astrophysics Data System (ADS)

Hussain Siyal, Shahid; Hopper, Miles; Lefvert, Adrian; Mentis, Dimitris; Korkovelos, Alexandros; Lopez De Briñas Gorosabel, Oier; Varela González, Cristina; Howells, Mark

2017-04-01

While the world is making progress on incorporating renewables in the electricity grid, the transport sector is still widely locked into using gasoline and diesel fuels. Simultaneously, wind energy is encountering resistance due to its intermittent nature. Wind to hydrogen energy conversion poses a solution to this problem, using wind powered electrolysis to produce hydrogen which can fuel the transport sector. In this report a preliminary assessment for wind to hydrogen energy conversion potential of Pakistan was made considering two different turbines; Vestas V82 and V112. Using available wind speed data, processed in ArcGIS, the hydrogen potential was calculated. Finally, the economic feasibility and potential environmental savings were assessed. From the results it was concluded that Pakistan has a good potential for wind to hydrogen conversion, with 63,807 and 80,232 ktons of hydrogen per year from the V82 and V112 turbines. This corresponds to 2,105 and 2,647 TWh of energy per year respectively. Only using 2% of that potential could give emissions savings of up to 11.43 and 14.37 MtCO2-eq, which would give good reason for more in-depth studies to evaluate the feasibility of a project in Pakistan.

Advances of zeolite based membrane for hydrogen production via water gas shift reaction

NASA Astrophysics Data System (ADS)

Makertihartha, I. G. B. N.; Zunita, M.; Rizki, Z.; Dharmawijaya, P. T.

2017-07-01

Hydrogen is considered as a promising energy vector which can be obtained from various renewable sources. However, an efficient hydrogen production technology is still challenging. One technology to produce hydrogen with very high capacity with low cost is through water gas shift (WGS) reaction. Water gas shift reaction is an equilibrium reaction that produces hydrogen from syngas mixture by the introduction of steam. Conventional WGS reaction employs two or more reactors in series with inter-cooling to maximize conversion for a given volume of catalyst. Membrane reactor as new technology can cope several drawbacks of conventional reactor by removing reaction product and the reaction will favour towards product formation. Zeolite has properties namely high temperature, chemical resistant, and low price makes it suitable for membrane reactor applications. Moreover, it has been employed for years as hydrogen selective layer. This review paper is focusing on the development of membrane reactor for efficient water gas shift reaction to produce high purity hydrogen and carbon dioxide. Development of membrane reactor is discussed further related to its modification towards efficient reaction and separation from WGS reaction mixture. Moreover, zeolite framework suitable for WGS membrane reactor will be discussed more deeply.

Bio-hydrogen production from tempeh and tofu processing wastes via fermentation process using microbial consortium: A mini-review

NASA Astrophysics Data System (ADS)

Rengga, Wara Dyah Pita; Wati, Diyah Saras; Siregar, Riska Yuliana; Wulandari, Ajeng Riswanti; Lestari, Adela Ayu; Chafidz, Achmad

2017-03-01

One of alternative energies that can replace fossil fuels is hydrogen. Hydrogen can be used to generate electricity and to power combustion engines for transportation. Bio-hydrogen produced from tempeh and tofu processing waste can be considered as a renewable energy. Bio-hydrogen produced from tempeh and tofu processing waste is beneficial because the waste of soybean straw and tofu processing waste is plentiful, cheap, renewable and biodegradable. Specification of tempeh and tofu processing waste were soybean straw and sludge of tofu processing. They contain carbohydrates (cellulose, hemicellulose, and lignin) and methane. This paper reviews the optimal condition to produce bio-hydrogen from tempeh and tofu processing waste. The production of bio-hydrogen used microbial consortium which were enriched from cracked cereals and mainly dominated by Clostridium butyricum and Clostridium roseum. The production process of bio-hydrogen from tempeh and tofu processing waste used acid pre-treatment with acid catalyzed hydrolysis to cleave the bond of hemicellulose and cellulose chains contained in biomass. The optimal production of bio-hydrogen has a yield of 6-6.8 mL/g at 35-60 °C, pH 5.5-7 in hydraulic retention time (HRT) less than 16 h. The production used a continuous system in an anaerobic digester. This condition can be used as a reference for the future research.

An Integrated Device View on Photo-Electrochemical Solar-Hydrogen Generation.

PubMed

Modestino, Miguel A; Haussener, Sophia

2015-01-01

Devices that directly capture and store solar energy have the potential to significantly increase the share of energy from intermittent renewable sources. Photo-electrochemical solar-hydrogen generators could become an important contributor, as these devices can convert solar energy into fuels that can be used throughout all sectors of energy. Rather than focusing on scientific achievement on the component level, this article reviews aspects of overall component integration in photo-electrochemical water-splitting devices that ultimately can lead to deployable devices. Throughout the article, three generalized categories of devices are considered with different levels of integration and spanning the range of complete integration by one-material photo-electrochemical approaches to complete decoupling by photovoltaics and electrolyzer devices. By using this generalized framework, we describe the physical aspects, device requirements, and practical implications involved with developing practical photo-electrochemical water-splitting devices. Aspects reviewed include macroscopic coupled multiphysics device models, physical device demonstrations, and economic and life cycle assessments, providing the grounds to draw conclusions on the overall technological outlook.

Is Current CMBR Temperature: The Scale Independent Quantum Gravitational Result of Black Hole Cosmology?

NASA Astrophysics Data System (ADS)

Seshavatharam, U. V. S.; Lakshminarayana, S.

If one is willing to consider the current cosmic microwave back ground temperature as a quantum gravitational effect of the evolving primordial cosmic black hole (universe that constitutes dynamic space-time and exhibits quantum behavior) automatically general theory of relativity and quantum mechanics can be combined into a `scale independent' true unified model of quantum gravity. By considering the `Planck mass' as the initial mass of the baby Hubble volume, past and current physical and thermal parameters of the cosmic black hole can be understood. Current rate of cosmic black hole expansion is being stopped by the microscopic quantum mechanical lengths. In this new direction authors observed 5 important quantum mechanical methods for understanding the current cosmic deceleration. To understand the ground reality of current cosmic rate of expansion, sensitivity and accuracy of current methods of estimating the magnitudes of current CMBR temperature and current Hubble constant must be improved and alternative methods must be developed. If it is true that galaxy constitutes so many stars, each star constitutes so many hydrogen atoms and light is coming from the excited electron of galactic hydrogen atom, then considering redshift as an index of `whole galaxy' receding may not be reasonable. During cosmic evolution, at any time in the past, in hydrogen atom emitted photon energy was always inversely proportional to the CMBR temperature. Thus past light emitted from older galaxy's excited hydrogen atom will show redshift with reference to the current laboratory data. As cosmic time passes, in future, the absolute rate of cosmic expansion can be understood by observing the rate of increase in the magnitude of photon energy emitted from laboratory hydrogen atom. Aged super novae dimming may be due to the effect of high cosmic back ground temperature. Need of new mathematical methods & techniques, computer simulations, advanced engineering skills seem to be essential in this direction.

Sensitive Capacitive-type Hydrogen Sensor Based on Ni Thin Film in Different Hydrogen Concentrations.

PubMed

Pour, Ghobad Behzadi; Aval, Leila Fekri; Eslami, Shahnaz

2018-04-01

Hydrogen sensors are micro/nano-structure that are used to locate hydrogen leaks. They are considered to have fast response/recovery time and long lifetime as compared to conventional gas sensors. In this paper, fabrication of sensitive capacitive-type hydrogen gas sensor based on Ni thin film has been investigated. The C-V curves of the sensor in different hydrogen concentrations have been reported. Dry oxidation was done in thermal chemical vapor deposition furnace (TCVD). For oxidation time of 5 min, the oxide thickness was 15 nm and for oxidation time 10 min, it was 20 nm. The Ni thin film as a catalytic metal was deposited on the oxide film using electron gun deposition. Two MOS sensors were compared with different oxide film thickness and different hydrogen concentrations. The highest response of the two MOS sensors with 15 nm and 20 nm oxide film thickness in 4% hydrogen concentration was 87.5% and 65.4% respectively. The fast response times for MOS sensors with 15 nm and 20 nm oxide film thickness in 4% hydrogen concentration was 8 s and 21 s, respectively. By increasing the hydrogen concentration from 1% to 4%, the response time for MOS sensor (20nm oxide thickness), was decreased from 28s to 21s. The recovery time was inversely increased from 237s to 360s. The experimental results showed that the MOS sensor based on Ni thin film had a quick response and a high sensitivity.

Energy Systems Integration Laboratory | Energy Systems Integration Facility

Science.gov Websites

systems test hub includes a Class 1, Division 2 space for performing tests of high-pressure hydrogen Laboratory offers the following capabilities. High-Pressure Hydrogen Systems The high-pressure hydrogen infrastructure. Key Infrastructure Robotic arm; high-pressure hydrogen; natural gas supply; standalone SCADA

Waste/By-Product Hydrogen

DTIC Science & Technology

2011-01-13

Waste /By product Hydrogen Waste H2 sources include: � Waste bio‐mass: biogas to high temp fuel cells to produce H2 – there are over two dozen sites...By‐product Hydrogen Fuel Flexibility Biogas : generated from organic waste �Wastewater treatment plants can provide multiple MW of renewable...13 Waste /By product Hydrogen ‐ Biogas

Stable catalyst layers for hydrogen permeable composite membranes

DOEpatents

Way, J. Douglas; Wolden, Colin A

2014-01-07

The present invention provides a hydrogen separation membrane based on nanoporous, composite metal carbide or metal sulfide coated membranes capable of high flux and permselectivity for hydrogen without platinum group metals. The present invention is capable of being operated over a broad temperature range, including at elevated temperatures, while maintaining hydrogen selectivity.

Another Unprecedented Wieland Mechanism Confirmed: Hydrogen Formation from Hydrogen Peroxide, Formaldehyde, and Sodium Hydroxide.

PubMed

Czochara, Robert; Litwinienko, Grzegorz; Korth, Hans-Gert; Ingold, Keith U

2018-03-26

In 1923, Wieland and Wingler reported that in the molecular hydrogen producing reaction of hydrogen peroxide with formaldehyde in basic solution, free hydrogen atoms (H . ) are not involved. They postulated that bis(hydroxymethyl)peroxide, HOCH 2 OOCH 2 OH, is the intermediate, which decomposes to yield H 2 and formate, proposing a mechanism that would nowadays be considered as a "concerted process". Since then, several other (conflicting) "mechanisms" have been suggested. Our NMR and Raman spectroscopic and kinetic studies, particularly the determination of the deuterium kinetic isotope effect (DKIE), now confirm that in this base-dependent reaction, both H atoms of H 2 derive from the CH 2 hydrogen atoms of formaldehyde, and not from the OH groups of HOCH 2 OOCH 2 OH or from water. Quantum-chemical CBS-QB3 and W1BD computations show that H 2 release proceeds through a concerted process, which is strongly accelerated by double deprotonation of HOCH 2 OOCH 2 OH, thereby ruling out a free radical pathway. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analytical chemical kinetic investigation of the effects of oxygen, hydrogen, and hydroxyl radicals on hydrogen-air combustion

NASA Technical Reports Server (NTRS)

Carson, G. T., Jr.

1974-01-01

Quantitative values were computed which show the effects of the presence of small amounts of oxygen, hydrogen, and hydroxyl radicals on the finite-rate chemical kinetics of premixed hydrogen-air mixtures undergoing isobaric autoignition and combustion. The free radicals were considered to be initially present in hydrogen-air mixtures at equivalence ratios of 0.2, 0.6, 1.0, and 1.2. Initial mixture temperatures were 1100 K, 1200 K, and 1500 K, and pressures were 0.5, 1.0, 2.0, and 4.0 atm. Of the radicals investigated, atomic oxygen was found to be the most effective for reducing induction time, defined as the time to 5 percent of the total combustion temperature rise. The reaction time, the time between 5 percent and 95 percent of the temperature rise, is not decreased by the presence of free radicals in the initial hydrogen-air mixture. Fuel additives which yield free radicals might be used to effect a compact supersonic combustor design for efficient operation in an otherwise reaction-limited combustion regime.

Prevalence of abnormal lactose breath hydrogen tests in children with functional abdominal pain.

PubMed

Garg, Neha; Basu, Srikanta; Singh, Preeti; Kumar, Ruchika; Sharma, Lokesh; Kumar, Praveen

2017-05-01

The study was undertaken to determine the prevalence of abnormal lactose breath hydrogen test in children with non-organic chronic abdominal pain. Children with chronic abdominal pain were examined and investigated for organic causes. All children without a known organic cause underwent lactose and glucose breath hydrogen test. After a standard dose of 2 g/kg of lactose to a maximum of 50 g, hydrogen in breath was measured at 15 min intervals for 3 h. A rise of 20 ppm above baseline was considered suggestive of lactose malabsorption. Of 108 children screened, organic causes were found in 46 children. Sixty-two patients without any organic cause underwent hydrogen breath test. Lactose hydrogen breath test (HBT) was positive in 36 of 62 (58%), while 11 (17%) had positive HBT with glucose suggestive of small intestinal bacterial overgrowth (SIBO). Twenty out of 34 (59%) improved on lactose free diet while 8 out of 11 (72%) children of SIBO improved on antibiotics. Lactose malabsorption was seen in 58% of children with non-organic chronic abdominal pain.

Structure sensitivity in the nonscalable regime explored via catalysed ethylene hydrogenation on supported platinum nanoclusters

NASA Astrophysics Data System (ADS)

Crampton, Andrew S.; Rötzer, Marian D.; Ridge, Claron J.; Schweinberger, Florian F.; Heiz, Ueli; Yoon, Bokwon; Landman, Uzi

2016-01-01

The sensitivity, or insensitivity, of catalysed reactions to catalyst structure is a commonly employed fundamental concept. Here we report on the nature of nano-catalysed ethylene hydrogenation, investigated through experiments on size-selected Ptn (n=8-15) clusters soft-landed on magnesia and first-principles simulations, yielding benchmark information about the validity of structure sensitivity/insensitivity at the bottom of the catalyst size range. Both ethylene-hydrogenation-to-ethane and the parallel hydrogenation-dehydrogenation ethylidyne-producing route are considered, uncovering that at the <1 nm size-scale the reaction exhibits characteristics consistent with structure sensitivity, in contrast to structure insensitivity found for larger particles. The onset of catalysed hydrogenation occurs for Ptn (n>=10) clusters at T>150 K, with maximum room temperature reactivity observed for Pt13. Structure insensitivity, inherent for specific cluster sizes, is induced in the more active Pt13 by a temperature increase up to 400 K leading to ethylidyne formation. Control of sub-nanometre particle size may be used for tuning catalysed hydrogenation activity and selectivity.

Evaluation and simultaneous optimization of bio-hydrogen production using 3 2 factorial design and the desirability function

NASA Astrophysics Data System (ADS)

Cuetos, M. J.; Gómez, X.; Escapa, A.; Morán, A.

Various mixtures incorporating a simulated organic fraction of municipal solid wastes and blood from a poultry slaughterhouse were used as substrate in a dark fermentation process for the production of hydrogen. The individual and interactive effects of hydraulic retention time (HRT), solid content in the feed (%TS) and proportion of residues (%Blood) on bio-hydrogen production were studied in this work. A central composite design and response surface methodology were employed to determine the optimum conditions for the hydrogen production process. Experimental results were approximated to a second-order model with the principal effects of the three factors considered being statistically significant (P < 0.05). The production of hydrogen obtained from the experimental point at conditions close to best operability was 0.97 L Lr -1 day -1. Moreover, a desirability function was employed in order to optimize the process when a second, methanogenic, phase is coupled with it. In this last case, the optimum conditions lead to a reduction in the production of hydrogen when the optimization process involves the maximization of intermediary products.

Hydrogenation of carbonyl compounds of relevance to hydrogen storage in alcohols

NASA Astrophysics Data System (ADS)

Suárez, Andrés

2018-02-01

Alcohols are a promising source for the sustainable production of hydrogen that may also serve as rechargeable liquid organic hydrogen carriers (LOHCs). Metal-catalyzed acceptorless dehydrogenation of alcohols produces carbonyl derivatives as H2-depleted by-products, which by means of a hydrogenation reaction can be reconverted to the initial alcohols. Hence, reversible H2-storage systems based on pairs of secondary alcohols/ketones and primary alcohols/carboxylic acid derivatives may be envisaged. In this contribution, the hydrogenation of carbonyl derivatives, including ketones, esters, amides and carboxylic acids, is reviewed from the perspective of the hydrogen storage in alcohols.

Multi-fuel reformers for fuel cells used in transportation. Phase 1: Multi-fuel reformers

NASA Astrophysics Data System (ADS)

1994-05-01

DOE has established the goal, through the Fuel Cells in Transportation Program, of fostering the rapid development and commercialization of fuel cells as economic competitors for the internal combustion engine. Central to this goal is a safe feasible means of supplying hydrogen of the required purity to the vehicular fuel cell system. Two basic strategies are being considered: (1) on-board fuel processing whereby alternative fuels such as methanol, ethanol or natural gas stored on the vehicle undergo reformation and subsequent processing to produce hydrogen, and (2) on-board storage of pure hydrogen provided by stationary fuel processing plants. This report analyzes fuel processor technologies, types of fuel and fuel cell options for on-board reformation. As the Phase 1 of a multi-phased program to develop a prototype multi-fuel reformer system for a fuel cell powered vehicle, the objective of this program was to evaluate the feasibility of a multi-fuel reformer concept and to select a reforming technology for further development in the Phase 2 program, with the ultimate goal of integration with a DOE-designated fuel cell and vehicle configuration. The basic reformer processes examined in this study included catalytic steam reforming (SR), non-catalytic partial oxidation (POX) and catalytic partial oxidation (also known as Autothermal Reforming, or ATR). Fuels under consideration in this study included methanol, ethanol, and natural gas. A systematic evaluation of reforming technologies, fuels, and transportation fuel cell applications was conducted for the purpose of selecting a suitable multi-fuel processor for further development and demonstration in a transportation application.

Hafnium Oxide Film Etching Using Hydrogen Chloride Gas

NASA Astrophysics Data System (ADS)

Habuka, Hitoshi; Yamaji, Masahiko; Kobori, Yoshitsugu; Horii, Sadayoshi; Kunii, Yasuo

2009-12-01

Hydrogen chloride gas removes the hafnium oxide film formed by atomic layer deposition at the etch rate of about 1 nm/min. A 100 nm-thick hafnium oxide film was perfectly etched off at 1173 K for 60 min by 100% hydrogen chloride gas at 100 sccm. A weight decrease in the hafnium oxide film was observed at temperatures higher than ca. 600 K, which corresponds to the sublimation point of hafnium tetrachloride. The etching by-product is considered to be hafnium tetrachloride. The etching technique developed in this study is expected to be applicable to various processes, such as the cleaning of a hafnium oxide film deposition reactor.

Effects of mass transfer and hydrogen pressure on the fixed-bed pyrolysis of sunflower bagasse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Putun, E.; Kockar, O.M.; Gercel, F.

1994-12-31

There are a number of waste and biomass sources being considered as potential sources of fuels and chemical feedstocks. The economics for biomass pyrolysis are generally considered to be most favourable for (1) plants which grow abundantly and require little cultivation in and lands and (2) wastes available in relatively large quantities from agricultural plants, for example, sunflower and hazel nuts. For the former, one such group of plants is Euphorbiaceae which are characterised by their ability to produce a milky latex, an emulsion of about 30% w/w terpenoids in water. One species in the family, Euphorbia Rigida from Southwesternmore » Anatolia, Turkey is cultivated in close proximity to the sunflower growing regions and their oil extraction plants. The Turkish sunflower oil industry generates 800,000 tons of extraction residue (bagasse) per annum. Thus, both sunflower wastes and latex-producing plants are being considered as feedstocks for a future thermochemical demonstration unit in Turkey. Pyrolysis at relatively high hydrogen pressures (hydropyrolysis) has not been widely investigated for biomass. A potential advantage of hydropyrolysis is the ability to upgrade tar vapours over hydroprocessing catalysts. Fixed-bed pyrolysis and hydropyrolysis experiments have been conducted on sunflower bagasse to assess the effects of mass transfer and hydrogen pressure on oil yield and quality.« less

Method and Pd/V2 O5 device for H2 detection

DOEpatents

Liu, Ping [San Diego, CA; Tracy, C Edwin [Golden, CO; Pitts, J Roland [Lakewood, CO; Smith, II, R. Davis; Lee, Se-Hee [Lakewood, CO

2011-12-27

Methods and Pd/V.sub.2O.sub.5 devices for hydrogen detection are disclosed. An exemplary method of preparing an improved sensor for chemochromic detection of hydrogen gas over a wide response range exhibits stability during repeated coloring/bleaching cycles upon exposure and removal of hydrogen gas. The method may include providing a substrate. The method may also include depositing a V.sub.20.sub.5 layer that functions as a H.sub.2 insertion host in a Pd/V.sub.20.sub.5 hydrogen sensor to be formed on said substrate. The method may also include depositing a Pd layer onto said V.sub.20.sub.5 layer; said Pd layer functioning as an optical modulator.

Methods of using ionic liquids having a fluoride anion as solvents

DOEpatents

Pagoria, Philip [Livermore, CA; Maiti, Amitesh [San Ramon, CA; Gash, Alexander [Brentwood, CA; Han, Thomas Yong [Pleasanton, CA; Orme, Christine [Oakland, CA; Fried, Laurence [Livermore, CA

2011-12-06

A method in one embodiment includes contacting a strongly hydrogen bonded organic material with an ionic liquid having a fluoride anion for solubilizing the strongly hydrogen bonded organic material; and maintaining the ionic liquid at a temperature of about 90.degree. C. or less during the contacting. A method in another embodiment includes contacting a strongly hydrogen bonded organic material with an ionic liquid having an acetate or formate anion for solubilizing the strongly hydrogen bonded organic material; and maintaining the ionic liquid at a temperature of less than about 90.degree. C. during the contacting.

Sulfur tolerant zeolite supported platinum catalysts for aromatics hydrogenation

DOT National Transportation Integrated Search

1997-04-01

An experimental study of sulfur tolerant zeolite platinum catalysts for aormatics hydrogenation. Platinum catalysts supported on Y-zeolite have been prepared and characterized in various ways, including the hydrogenation of toluene in a high pressure...

Hydrogen Storage Materials for Mobile and Stationary Applications: Current State of the Art.

PubMed

Lai, Qiwen; Paskevicius, Mark; Sheppard, Drew A; Buckley, Craig E; Thornton, Aaron W; Hill, Matthew R; Gu, Qinfen; Mao, Jianfeng; Huang, Zhenguo; Liu, Hua Kun; Guo, Zaiping; Banerjee, Amitava; Chakraborty, Sudip; Ahuja, Rajeev; Aguey-Zinsou, Kondo-Francois

2015-09-07

One of the limitations to the widespread use of hydrogen as an energy carrier is its storage in a safe and compact form. Herein, recent developments in effective high-capacity hydrogen storage materials are reviewed, with a special emphasis on light compounds, including those based on organic porous structures, boron, nitrogen, and aluminum. These elements and their related compounds hold the promise of high, reversible, and practical hydrogen storage capacity for mobile applications, including vehicles and portable power equipment, but also for the large scale and distributed storage of energy for stationary applications. Current understanding of the fundamental principles that govern the interaction of hydrogen with these light compounds is summarized, as well as basic strategies to meet practical targets of hydrogen uptake and release. The limitation of these strategies and current understanding is also discussed and new directions proposed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Hydrogen bonding in phytohormone-auxin (IAA) and its derivatives

NASA Astrophysics Data System (ADS)

Kojić-Prodić, Biserka; Kroon, Jan; Puntarec, Vitomir

1994-06-01

The significant importance of hydrogen bonds in biological structures and enzymatic reactions has been demonstrated in many examples. As a part of the molecular recognition study of auxins (plant growth hormones) the influence of hydrogen bonding on molecular conformation, particularly of the carboxyl group, which is one of the biologically active ligand sites, has been studied by X-ray diffraction and computational chemistry methods. The survey includes about 40 crystal structures of free auxins such as indol-3-ylacetic acid and its n-alkylated and halogenated derivatives but also bound auxins such as N-(indol-3-ylacetyl)- L-amino acids, and carbohydrate conjugates. The study includes hydrogen bonds of the NH⋯O and OH⋯O types. The classification of hydrogen bond patterns based on the discrimination between the centrosymmetric and non-centrosymmetric space groups and several examples of hydrogen bond systematics on graph set analysis are also shown.

Hydrogen Production from Nuclear Energy via High Temperature Electrolysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

2006-04-01

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.

NASA atomic hydrogen standards program - An update

NASA Technical Reports Server (NTRS)

Reinhardt, V. S.; Kaufmann, D. C.; Adams, W. A.; Deluca, J. J.; Soucy, J. L.

1976-01-01

Some of the design features of NASA hydrogen masers are discussed including the large hydrogen source bulb, the palladium purified, the state selector, the replaceable pumps, the small entrance stem, magnetic shields, the elongated storage bulb, the aluminum cavity, the electronics package, and the autotuner. Attention is also given to the reliability and operating life of these hydrogen atomic standards.

Carbon and hydrogen isotopic effects of stomatal density in Arabidopsis thaliana

NASA Astrophysics Data System (ADS)

Lee, Hyejung; Feakins, Sarah J.; Sternberg, Leonel da S. L.

2016-04-01

Stomata are key gateways mediating carbon uptake and water loss from plants. Varied stomatal densities in fossil leaves raise the possibility that isotope effects associated with the openness of exchange may have mediated plant wax biomarker isotopic proxies for paleovegetation and paleoclimate in the geological record. Here we use Arabidopsis thaliana, a widely used model organism, to provide the first controlled tests of stomatal density on carbon and hydrogen isotopic compositions of cuticular waxes. Laboratory grown wildtype and mutants with suppressed and overexpressed stomatal densities allow us to directly test the isotope effects of stomatal densities independent of most other environmental or biological variables. Hydrogen isotope (D/H) measurements of both plant waters and plant wax n-alkanes allow us to directly constrain the isotopic effects of leaf water isotopic enrichment via transpiration and biosynthetic fractionations, which together determine the net fractionation between irrigation water and n-alkane hydrogen isotopic composition. We also measure carbon isotopic fractionations of n-alkanes and bulk leaf tissue associated with different stomatal densities. We find offsets of +15‰ for δD and -3‰ for δ13C for the overexpressed mutant compared to the suppressed mutant. Since the range of stomatal densities expressed is comparable to that found in extant plants and the Cenozoic fossil record, the results allow us to consider the magnitude of isotope effects that may be incurred by these plant adaptive responses. This study highlights the potential of genetic mutants to isolate individual isotope effects and add to our fundamental understanding of how genetics and physiology influence plant biochemicals including plant wax biomarkers.

Zymographic differentiation of [NiFe]-Hydrogenases 1, 2 and 3 of Escherichia coli K-12

PubMed Central

2012-01-01

Background When grown under anaerobic conditions, Escherichia coli K-12 is able to synthesize three active [NiFe]-hydrogenases (Hyd1-3). Two of these hydrogenases are respiratory enzymes catalysing hydrogen oxidation, whereby Hyd-1 is oxygen-tolerant and Hyd-2 is considered a standard oxygen-sensitive hydrogenase. Hyd-3, together with formate dehydrogenase H (Fdh-H), forms the formate hydrogenlyase (FHL) complex, which is responsible for H2 evolution by intact cells. Hydrogen oxidation activity can be assayed for all three hydrogenases using benzyl viologen (BV; Eo′ = -360 mV) as an artificial electron acceptor; however ascribing activities to specific isoenzymes is not trivial. Previously, an in-gel assay could differentiate Hyd-1 and Hyd-2, while Hyd-3 had long been considered too unstable to be visualized on such native gels. This study identifies conditions allowing differentiation of all three enzymes using simple in-gel zymographic assays. Results Using a modified in-gel assay hydrogen-dependent BV reduction catalyzed by Hyd-3 has been described for the first time. High hydrogen concentrations facilitated visualization of Hyd-3 activity. The activity was membrane-associated and although not essential for visualization of Hyd-3, the activity was maximal in the presence of a functional Fdh-H enzyme. Furthermore, through the use of nitroblue tetrazolium (NBT; Eo′ = -80 mV) it was demonstrated that Hyd-1 reduces this redox dye in a hydrogen-dependent manner, while neither Hyd-2 nor Hyd-3 could couple hydrogen oxidation to NBT reduction. Hydrogen-dependent reduction of NBT was also catalysed by an oxygen-sensitive variant of Hyd-1 that had a supernumerary cysteine residue at position 19 of the small subunit substituted for glycine. This finding suggests that tolerance toward oxygen is not the main determinant that governs electron donation to more redox-positive electron acceptors such as NBT. Conclusions The utilization of particular electron acceptors at different hydrogen concentrations and redox potentials correlates with the known physiological functions of the respective hydrogenase. The ability to rapidly distinguish between oxygen-tolerant and standard [NiFe]-hydrogenases provides a facile new screen for the discovery of novel enzymes. A reliable assay for Hyd-3 will reinvigorate studies on the characterisation of the hydrogen-evolving FHL complex. PMID:22769583

Water content and porosity effect on hydrogen radiolytic yields of geopolymers

NASA Astrophysics Data System (ADS)

Chupin, Frédéric; Dannoux-Papin, Adeline; Ngono Ravache, Yvette; d'Espinose de Lacaillerie, Jean-Baptiste

2017-10-01

The behavior of geopolymers under irradiation is a topic that has not been thoroughly investigated so far. However, if geopolymers are considered to be used as radioactive waste embedding matrices, their chemical and mechanical stability under ionizing radiation as well as low hydrogen production must be demonstrated. For that purpose, a particular focus is put on water radiolysis. Various formulations of geopolymers have been irradiated either with γ-rays (60Co source) or 95 MeV/amu 36Ar18+ ions beams and the hydrogen production has been quantified. This paper presents the results of radiolytic gas analysis in order to identify important structural parameters that influence confined water radiolysis. A correlation between geopolymers nature, water content on the one side, and the hydrogen radiolytic yield (G(H2)) on the other side, has been demonstrated. For both types of irradiations, a strong influence of the water content on the hydrogen radiolytic yield G(H2) is evidenced. The geopolymers porosity effect has been only highlighted under γ-rays irradiation.

Photosynthetic electron partitioning between [FeFe]-hydrogenase and ferredoxin:NADP+-oxidoreductase (FNR) enzymes in vitro

PubMed Central

Yacoby, Iftach; Pochekailov, Sergii; Toporik, Hila; Ghirardi, Maria L.; King, Paul W.; Zhang, Shuguang

2011-01-01

Photosynthetic water splitting, coupled to hydrogenase-catalyzed hydrogen production, is considered a promising clean, renewable source of energy. It is widely accepted that the oxygen sensitivity of hydrogen production, combined with competition between hydrogenases and NADPH-dependent carbon dioxide fixation are the main limitations for its commercialization. Here we provide evidence that, under the anaerobic conditions that support hydrogen production, there is a significant loss of photosynthetic electrons toward NADPH production in vitro. To elucidate the basis for competition, we bioengineered a ferredoxin-hydrogenase fusion and characterized hydrogen production kinetics in the presence of Fd, ferredoxin:NADP+-oxidoreductase (FNR), and NADP+. Replacing the hydrogenase with a ferredoxin-hydrogenase fusion switched the bias of electron transfer from FNR to hydrogenase and resulted in an increased rate of hydrogen photoproduction. These results suggest a new direction for improvement of biohydrogen production and a means to further resolve the mechanisms that control partitioning of photosynthetic electron transport. PMID:21606330

Hydrogen and carbon nanotube production via catalytic decomposition of methane

NASA Astrophysics Data System (ADS)

Deniz, Cansu; Karatepe, Nilgün

2013-09-01

The future energy demand is expected to increase significantly due to an increasing world population and demands for higher standards of living and better air quality. Hydrogen is considered as an energy carrier because of its high conversion efficiency and low pollutant emissions. It can be produced from various sources and transformed into electricity and other energy forms with a low pollution. The catalytic decomposition of hydrocarbon has been seen as a really useful method for production of pure hydrogen and for the environmental concern. The objective of this study was to assess the impact of catalyst composition and processing parameters on COx-free hydrogen production and to produce an available solid form of co-product carbon as carbon nanotubes via catalytic decomposition of methane. The optimum experimental conditions for methane decomposition have been investigated. Fe, Co and Ni are used as catalysts (nano materials) over different substrates as SiO2 and MgO to produce hydrogen at optimum temperatures.

Large-scale atomistic simulations of helium-3 bubble growth in complex palladium alloys

DOE PAGES

Hale, Lucas M.; Zimmerman, Jonathan A.; Wong, Bryan M.

2016-05-18

Palladium is an attractive material for hydrogen and hydrogen-isotope storage applications due to its properties of large storage density and high diffusion of lattice hydrogen. When considering tritium storage, the material’s structural and mechanical integrity is threatened by both the embrittlement effect of hydrogen and the creation and evolution of additional crystal defects (e.g., dislocations, stacking faults) caused by the formation and growth of helium-3 bubbles. Using recently developed inter-atomic potentials for the palladium-silver-hydrogen system, we perform large-scale atomistic simulations to examine the defect-mediated mechanisms that govern helium bubble growth. Our simulations show the evolution of a distribution of materialmore » defects, and we compare the material behavior displayed with expectations from experiment and theory. In conclusion, we also present density functional theory calculations to characterize ideal tensile and shear strengths for these materials, which enable the understanding of how and why our developed potentials either meet or confound these expectations.« less

On the Lamb shift in neutral muonic helium

NASA Astrophysics Data System (ADS)

Amusia, Miron; Karshenboim, Savely; Ivanov, Vladimir

2015-05-01

The neutral muonic helium is an exotic atomic system consisting of an electron, muon and a nucleus. We consider it as a hydrogen-like atom with a compound nucleus that is also hydrogen-like system. There are a number of corrections to the Bohr energy levels, which all can be treated as contributions of generic hydrogen-like theory. While the form of those contributions is the same for all hydrogen-like atoms, their relative numerical importance differs from an atom to an atom. Here, the leading contribution to the electronic Lamb shift in the neutral muonic helium is found in a close analytic form together with the most important corrections. We believe that the Lamb shift in the neutral muonic hydrogen is measurable, at least through a measurement of the electronic 1 s - 2 s transition. We present a theoretical prediction for the 1 s - 2 s transitions with the uncertainty of 2 ppm (4 GHz), as well as for the 2 s - 2 p Lamb shift with the uncertainty of 0.6 GHz.

Fracture mechanics and surface chemistry investigations of environment-assisted crack growth

NASA Technical Reports Server (NTRS)

Wei, R. P.; Klier, K.; Simmons, G. W.; Chou, Y. T.

1984-01-01

It is pointed out that environment-assisted subcritical crack growth in high-strength steels and other high-strength alloys (particularly in hydrogen and in hydrogenous environments) is an important technological problem of long standing. This problem is directly related to issues of structural integrity, durability, and reliability. The terms 'hydrogen embrittlement' and 'stress corrosion cracking' have been employed to describe the considered phenomenon. This paper provides a summary of contributions made during the past ten years toward the understanding of environmentally assisted crack growth. The processes involved in crack growth are examined, and details regarding crack growth and chemical reactions are discussed, taking into account crack growth in steels exposed to water/water vapor, the effect of hydrogen, reactions involving hydrogen sulfide, and aspects of fracture surface morphology and composition. Attention is also given to the modeling of crack growth response, crack growth in gas mixtures, and the interaction of solute atoms with the crack-tip stress field.

Cost analysis of carbon dioxide concentrators

NASA Technical Reports Server (NTRS)

Yakut, M. M.

1972-01-01

A methodology is developed to predict the relevant contributions of the more intangible cost elements encountered in the development of flight-qualified hardware and is used to predict the costs of three carbon dioxide concentration systems. The cost and performance data from Gemini, Skylab, and other programs are utilized as a basis for establishing the cost estimating relationships. The concentration systems analyzed are the molecular sieves C02 concentrator, the hydrogen-depolarized concentrator, and the regenerable solid desiccant concentrator. Besides the cost estimates for each system, their comparative criteria including relative characteristics, operational differences, and development status are considered.

IGMtransmission: Transmission curve computation

NASA Astrophysics Data System (ADS)

Harrison, Christopher M.; Meiksin, Avery; Stock, David

2015-04-01

IGMtransmission is a Java graphical user interface that implements Monte Carlo simulations to compute the corrections to colors of high-redshift galaxies due to intergalactic attenuation based on current models of the Intergalactic Medium. The effects of absorption due to neutral hydrogen are considered, with particular attention to the stochastic effects of Lyman Limit Systems. Attenuation curves are produced, as well as colors for a wide range of filter responses and model galaxy spectra. Photometric filters are included for the Hubble Space Telescope, the Keck telescope, the Mt. Palomar 200-inch, the SUBARU telescope and UKIRT; alternative filter response curves and spectra may be readily uploaded.

Recent Progress in Energy-Driven Water Splitting.

PubMed

Tee, Si Yin; Win, Khin Yin; Teo, Wee Siang; Koh, Leng-Duei; Liu, Shuhua; Teng, Choon Peng; Han, Ming-Yong

2017-05-01

Hydrogen is readily obtained from renewable and non-renewable resources via water splitting by using thermal, electrical, photonic and biochemical energy. The major hydrogen production is generated from thermal energy through steam reforming/gasification of fossil fuel. As the commonly used non-renewable resources will be depleted in the long run, there is great demand to utilize renewable energy resources for hydrogen production. Most of the renewable resources may be used to produce electricity for driving water splitting while challenges remain to improve cost-effectiveness. As the most abundant energy resource, the direct conversion of solar energy to hydrogen is considered the most sustainable energy production method without causing pollutions to the environment. In overall, this review briefly summarizes thermolytic, electrolytic, photolytic and biolytic water splitting. It highlights photonic and electrical driven water splitting together with photovoltaic-integrated solar-driven water electrolysis.

Recent Progress in Energy‐Driven Water Splitting

PubMed Central

Tee, Si Yin; Win, Khin Yin; Teo, Wee Siang; Koh, Leng‐Duei; Liu, Shuhua; Teng, Choon Peng

2017-01-01

Hydrogen is readily obtained from renewable and non‐renewable resources via water splitting by using thermal, electrical, photonic and biochemical energy. The major hydrogen production is generated from thermal energy through steam reforming/gasification of fossil fuel. As the commonly used non‐renewable resources will be depleted in the long run, there is great demand to utilize renewable energy resources for hydrogen production. Most of the renewable resources may be used to produce electricity for driving water splitting while challenges remain to improve cost‐effectiveness. As the most abundant energy resource, the direct conversion of solar energy to hydrogen is considered the most sustainable energy production method without causing pollutions to the environment. In overall, this review briefly summarizes thermolytic, electrolytic, photolytic and biolytic water splitting. It highlights photonic and electrical driven water splitting together with photovoltaic‐integrated solar‐driven water electrolysis. PMID:28546906

Efficient hydrogen isotopologues separation through a tunable potential barrier: The case of a C2N membrane.

PubMed

Qu, Yuanyuan; Li, Feng; Zhao, Mingwen

2017-05-03

Isotopes separation through quantum sieving effect of membranes is quite promising for industrial applications. For the light hydrogen isotopologues (eg. H 2 , D 2 ), the confinement of potential wells in porous membranes to isotopologues was commonly regarded to be crucial for highly efficient separation ability. Here, we demonstrate from first-principles that a potential barrier is also favorable for efficient hydrogen isotopologues separation. Taking an already-synthesized two-dimensional carbon nitride (C 2 N-h2D) as an example, we predict that the competition between quantum tunneling and zero-point-energy (ZPE) effects regulated by the tensile strain leads to high selectivity and permeance. Both kinetic quantum sieving and equilibrium quantum sieving effects are considered. The quantum effects revealed in this work offer a prospective strategy for highly efficient hydrogen isotopologues separation.

Microstructure of hydrogenated Mg2Ni studied by SANS

NASA Astrophysics Data System (ADS)

Mori, K.; Sugiyama, M.; Iwase, K.; Kawabe, S.; Onodera, Y.; Itoh, K.; Otomo, T.; Fukunaga, T.

2010-10-01

X-ray powder diffraction (XRD) and small-angle neutron scattering (SANS) experiments were carried out for the hydrogenated and duterated Mg2Ni, respectively. According to the results of XRD experiments, both of them coexisted with unhydrogenated (or undeuterated) Mg2Ni in the hydrogen absorbing cycle. Furthermore, in the SANS experiments, a slope of SANS curve, I(Q), was roughly evaluated by using the following power law: I(Q) propto Q-m, where Q is the magnitude of the scattering vector, and m can be equated with a fractal dimensionality, DS (= 6 - m). In conclusion, the hydrogenated and duterated Mg2Ni showed DS~ 3 and ~ 2, respectively. The significant difference between DS's can be understood by considering the scattering length densities, ρ, of Mg2Ni, Mg2NiH4, and Mg2NiD4.

Hydrogen Purification and Recycling for an Integrated Oxygen Recovery System Architecture

NASA Technical Reports Server (NTRS)

Abney, Morgan B.; Greenwood, Zachary; Wall, Terry; Miller, Lee; Wheeler, Ray

2016-01-01

The United States Atmosphere Revitalization life support system on the International Space Station (ISS) performs several services for the crew including oxygen generation, trace contaminant control, carbon dioxide (CO2) removal, and oxygen recovery. Oxygen recovery is performed using a Sabatier reactor developed by Hamilton Sundstrand, wherein CO2 is reduced with hydrogen in a catalytic reactor to produce methane and water. The water product is purified in the Water Purification Assembly and recycled to the Oxygen Generation Assembly (OGA) to provide O2 to the crew. This architecture results in a theoretical maximum oxygen recovery from CO2 of approximately 54% due to the loss of reactant hydrogen in Sabatier-produced methane that is currently vented outside of ISS. Plasma Methane Pyrolysis technology (PPA), developed by Umpqua Research Company, provides the capability to further close the Atmosphere Revitalization oxygen loop by recovering hydrogen from Sabatier-produced methane. A key aspect of this technology approach is to purify the hydrogen from the PPA product stream which includes acetylene, unreacted methane and byproduct water and carbon monoxide. In 2015, four sub-scale hydrogen separation systems were delivered to NASA for evaluation. These included two electrolysis single-cell hydrogen purification cell stacks developed by Sustainable Innovations, LLC, a sorbent-based hydrogen purification unit using microwave power for sorbent regeneration developed by Umpqua Research Company, and a LaNi4.6Sn0.4 metal hydride produced by Hydrogen Consultants, Inc. Here we report the results of these evaluations, discuss potential architecture options, and propose future work.

Hydrogen Purification and Recycling for an Integrated Oxygen Recovery System Architecture

NASA Technical Reports Server (NTRS)

Abney, Morgan B.; Greenwood, Zachary; Wall, Terry; Nur, Mononita; Wheeler, Richard R., Jr.; Preston, Joshua; Molter, Trent

2016-01-01

The United States Atmosphere Revitalization life support system on the International Space Station (ISS) performs several services for the crew including oxygen generation, trace contaminant control, carbon dioxide (CO2) removal, and oxygen recovery. Oxygen recovery is performed using a Sabatier reactor developed by Hamilton Sundstrand, wherein CO2 is reduced with hydrogen in a catalytic reactor to produce methane and water. The water product is purified in the Water Purification Assembly and recycled to the Oxygen Generation Assembly (OGA) to provide O2 to the crew. This architecture results in a theoretical maximum oxygen recovery from CO2 of approx.54% due to the loss of reactant hydrogen in Sabatier-produced methane that is currently vented outside of ISS. Plasma Pyrolysis Assembly (PPA) technology, developed by Umpqua Research Company, provides the capability to further close the Atmosphere Revitalization oxygen loop by recovering hydrogen from Sabatier-produced methane. A key aspect of this technology approach is the need to purify the hydrogen from the PPA product stream which includes acetylene, unreacted methane and byproduct water and carbon monoxide. In 2015, four sub-scale hydrogen separation systems were delivered to NASA for evaluation. These included two electrolysis single-cell hydrogen purification cell stacks developed by Sustainable Innovations, LLC, a sorbent-based hydrogen purification unit using microwave power for sorbent regeneration developed by Umpqua Research Company, and a LaNi4.6Sn0.4 metal hydride produced by Hydrogen Consultants, Inc. Here we report the results of these evaluations to-date, discuss potential architecture options, and propose future work.

Thermodynamic Cycle and CFD Analyses for Hydrogen Fueled Air-breathing Pulse Detonation Engines

NASA Technical Reports Server (NTRS)

Povinelli, Louis A.; Yungster, Shaye

2002-01-01

This paper presents the results of a thermodynamic cycle analysis of a pulse detonation engine (PDE) using a hydrogen-air mixture at static conditions. The cycle performance results, namely the specific thrust, fuel consumption and impulse are compared to a single cycle CFD analysis for a detonation tube which considers finite rate chemistry. The differences in the impulse values were indicative of the additional performance potential attainable in a PDE.

Rice emissions during field flooding and air pollution feedbacks across South Korea

NASA Astrophysics Data System (ADS)

So, C.; Diskin, G. S.; DiGangi, J. P.; Choi, Y.; Rana, M.; Hughes, S.; Blake, D. R.; Nault, B.; Schroeder, J.; Campuzano Jost, P.; Jimenez, J. L.; Kim, M. J.; Teng, A.; Crounse, J. D.; Wenneberg, P.; Kaser, L.; Mikoviny, T.; Müller, M.; Wisthaler, A.; Pusede, S. E.

2017-12-01

Nitrous oxide (N2O) and methane (CH4) are important long-lived greenhouse gases. Known anthropogenic sources of these gases include rice cultivation, which represents anywhere between 5% and 20% of methane emissions globally. Other volatile molecules are also produced by soil biogeochemistry when rice fields are flooded, including small organic oxygenates. Here, we use recent aircraft measurements from the KORUS-AQ experiment to describe controls over rice emissions of N2O and CH4 at regional-scales across the South Korean Peninsula. We also investigate potential emissions of molecular hydrogen and volatile alcohols and organic acids and consider the effect of aerosol nitrate and sulfate deposition on rice soil biogeochemistry on paddies downwind of polluted urban areas.

Efficiency and impacts of hythane (CH4+H2) underground storage

NASA Astrophysics Data System (ADS)

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

2016-04-01

The foreseen increase share of renewable energy production requires energy storage to mitigate shortage periods of energy supply. Hydrogen is an efficient energy carrier that can be transported and storage. A very promising way to store large amounts of hydrogen is underground geological reservoirs. Hydrogen can be stored, among other options, as a mixture of natural gas and less than 20% of hydrogen (hythane) to avoid damages on the existing infrastructure for gas transport. This technology is known as power-to-gas and is being considered by a number of European countries (Simon et al., 2015). In this study, the feasibility of a deep aquifer to store CH4-H2 mixtures in the Lower Triassic of the Paris Basin is numerically analyzed. The solubility of gas mixture in the groundwater is extremely low (Panfilov, 2015) and, therefore, gas and water are considered immiscible and non-reactive. An immiscible multiphase flow model is developed using the coefficient-form PDE interface of the finite element method code, COMSOL Multiphysics. The modelled domain is a 2D section of 2500 x 290 m resembling the Lower Triassic aquifer of the Paris basin, consisting of 2 layers of sandstone separated by a layer of conglomerates. The domain dips 0.5% from east to west. The top of the aquifer is 500 m-deep and the lateral boundaries are assumed to be open. This case is considered conservative compared to a dome-like geological trap, which could be more favorable to retain higher gas concentration. A number of cycles of gas production and injection were modelled. An automatic shut-down of the pump is implemented in case pressure on the well exceeds an upper or lower threshold. The influence of the position of the well, the uncertain residual gas saturation and the regional flow are studied. The model shows that both gas and aquifer properties have a significant impact on storage. Due to its low viscosity, the mobility of the hythane is quite high and gas expands significantly, reducing the maximum gas saturation during injection/production cycles. The storage efficiency is hindered by inactivity periods. Furthermore, the gas fate is extremely affected by regional groundwater flow. References Panfilov, M., 2015. Underground and pipeline hydrogen storage, in: Gupta, R., Basile, A., Veziroglu, T.N. (Eds.), Compendium of Hydrogen Energy. Woodhead Publishing, pp. 91-116. Simon, J., Ferriz, A.M., Correas, L.C., 2015. HyUnder - Hydrogen Underground Storage at Large Scale: Case Study Spain. Energy Procedia. 73, 136 - 144.

Hydrogen energy. A bibliography with abstracts

NASA Technical Reports Server (NTRS)

1978-01-01

Hydrogen Energy is a continuing bibliographic summary with abstracts of research and projections on the subject of hydrogen as a secondary fuel and as an energy carrier. This update to Hydrogen Energy cites additional references identified during the fourth quarter of 1978. It is the fourth in a 1978 quarterly series intended to provide current awareness to those interested in hydrogen energy. A series of cross indexes are included which track directly with those of the cumulative volume.

Overview of the U.S. DOE Hydrogen Safety, Codes and Standards Program. Part 4: Hydrogen Sensors; Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buttner, William J.; Rivkin, Carl; Burgess, Robert

Hydrogen sensors are recognized as a critical element in the safety design for any hydrogen system. In this role, sensors can perform several important functions including indication of unintended hydrogen releases, activation of mitigation strategies to preclude the development of dangerous situations, activation of alarm systems and communication to first responders, and to initiate system shutdown. The functionality of hydrogen sensors in this capacity is decoupled from the system being monitored, thereby providing an independent safety component that is not affected by the system itself. The importance of hydrogen sensors has been recognized by DOE and by the Fuel Cellmore » Technologies Office's Safety and Codes Standards (SCS) program in particular, which has for several years supported hydrogen safety sensor research and development. The SCS hydrogen sensor programs are currently led by the National Renewable Energy Laboratory, Los Alamos National Laboratory, and Lawrence Livermore National Laboratory. The current SCS sensor program encompasses the full range of issues related to safety sensors, including development of advance sensor platforms with exemplary performance, development of sensor-related code and standards, outreach to stakeholders on the role sensors play in facilitating deployment, technology evaluation, and support on the proper selection and use of sensors.« less

Conceptual Launch Vehicles Using Metallic Hydrogen Propellant

NASA Astrophysics Data System (ADS)

Cole, John W.; Silvera, Isaac F.; Foote, John P.

2008-01-01

Solid molecular hydrogen is predicted to transform into an atomic solid with metallic properties under pressures >4.5 Mbar. Atomic metallic hydrogen is predicted to be metastable, limited by some critical temperature and pressure, and to store very large amounts of energy. Experiments may soon determine the critical temperature, critical pressure, and specific energy availability. It is useful to consider the feasibility of using metastable atomic hydrogen as a rocket propellant. If one assumes that metallic hydrogen is stable at usable temperatures and pressures, and that it can be affordably produced, handled, and stored, then it may be a useful rocket propellant. Assuming further that the available specific energy can be determined from the recombination of the atoms into molecules (216 MJ/kg), then conceptual engines and launch vehicle concepts can be developed. Under these assumptions, metallic hydrogen would be a revolutionary new rocket fuel with a theoretical specific impulse of 1700 s at a chamber pressure of 100 atm. A practical problem that arises is that rocket chamber temperatures may be too high for the use of this pure fuel. This paper examines an engine concept that uses liquid hydrogen or water as a diluent coolant for the metallic hydrogen to reduce the chamber temperature to usable values. Several launch vehicles are then conceptually developed. Results indicate that if metallic hydrogen is experimentally found to have the properties assumed in this analysis, then there are significant benefits. These benefits become more attractive as the chamber temperatures increase.

Hydrogen and methane gases are frequently detected in the stomach.

PubMed

Urita, Yoshihisa; Ishihara, Susumu; Akimoto, Tatsuo; Kato, Hiroto; Hara, Noriko; Honda, Yoshiko; Nagai, Yoko; Nakanishi, Kazushige; Shimada, Nagato; Sugimoto, Motonobu; Miki, Kazumasa

2006-05-21

To investigate the incidence of bacterial overgrowth in the stomach by using a new endoscopic method in which intragastric hydrogen and methane gases are collected and analyzed. Studies were performed in 490 consecutive patients undergoing esophagogastroscopy. At endoscopy, we intubated the stomach without inflation by air, and 20 mL of intragastric gas was collected through the biopsy channel using a 30 mL syringe. Intragastric hydrogen and methane concentrations were immediately measured by gaschromatography. H pylori infection was also determined by serology. Most of intragastric hydrogen and methane levels were less than 15 ppm (parts per million). The median hydrogen and methane values (interquartile range) were 3 (1-8) ppm and 2 (1-5) ppm, respectively. The high hydrogen and methane levels for indication of fermentation were decided if the patient had the values more than 90 percentile range in each sample. When a patient had a high level of hydrogen or methane in one or more samples, the patient was considered to have fermentation. The overall incidence of intragastric fermentation was 15.4% (73/473). Intragastric methane levels were higher in the postoperative group than in other groups. None of the mean hydrogen or methane values was related to H pylori infection. Hydrogen and methane gases are more frequently detected in the stomach than expected, regardless of the presence of abdominal symptoms. Previous gastric surgery influences on the growth of methane-producing bacteria in the fasting stomach.

Atomic hydrogen as a launch vehicle propellant

NASA Technical Reports Server (NTRS)

Palaszewski, Bryan A.

1990-01-01

An analysis of several atomic hydrogen launch vehicles was conducted. A discussion of the facilities and the technologies that would be needed for these vehicles is also presented. The Gross Liftoff Weights (GLOW) for two systems were estimated; their specific impulses (I sub sp) were 750 and 1500 lb(sub f)/s/lb(sub m). The atomic hydrogen launch vehicles were also compared to the currently planned Advanced Launch System design concepts. Very significant GLOW reductions of 52 to 58 percent are possible over the Advanced Launch System designs. Applying atomic hydrogen propellants to upper stages was also considered. Very high I(sub sp) (greater than 750 lb(sub f)/s/lb(sub m)) is needed to enable a mass savings over advanced oxygen/hydrogen propulsion. Associated with the potential benefits of high I(sub sp) atomic hydrogen are several challenging problems. Very high magnetic fields are required to maintain the atomic hydrogen in a solid hydrogen matrix. The magnetic field strength was estimated to be 30 kilogauss (3 Tesla). Also the storage temperature of the propellant is 4 K. This very low temperature will require a large refrigeration facility for the launch vehicle. The design considerations for a very high recombination rate for the propellant are also discussed. A recombination rate of 210 cm/s is predicted for atomic hydrogen. This high recombination rate can produce very high acceleration for the launch vehicle. Unique insulation or segmentation to inhibit the propellant may be needed to reduce its recombination rate.

New nanosized catalytic membrane reactors for hydrogenation with stored hydrogen: Prerequisites and the experimental basis for their creation

NASA Astrophysics Data System (ADS)

Soldatov, A. P.; Tsodikov, M. V.; Parenago, O. P.; Teplyakov, V. V.

2010-12-01

The prerequisites and prospects for creating a new generation of nanosized membrane reactors are considered. For the first time, hydrogenation reactions take place in ceramic membrane pores with hydrogen adsorbed beforehand in mono- and multilayered oriented carbon nanotubes with graphene walls (OCNTGs) formed on the internal pore surface. It is shown for Trumem microfiltration membranes with D avg ˜130 nm that oxidation reactions of CO on a Cu0.03Ti0.97O2 ± δ catalyst and the oxidative conversion of methane into synthesis gas and light hydrocarbons on La + Ce/MgO are considerably enhanced when they occur in membranes. Regularities of hydrogen adsorption, storage, and desorption in nanosized membrane reactors are investigated through OCNTG formation in Trumem ultrafiltration membrane pores with D avg = 50 and 90 nm and their saturation with hydrogen at a pressure of 10-13 MPa. It is shown that the amount of adsorbed hydrogen reaches 14.0% of OCNTG mass. Using thermogravimetric analysis in combination with mass-spectrometric analysis, hydrogen adsorption in OCNTG is first determined and its desorption is found to proceed at atmospheric pressure at a temperature of ˜175°C. It is shown that adsorbed hydrogen affects the transport properties of the membranes, reducing their efficiency with respect to liquids by 4-26 times. This is indirect confirmation of its high activity, due apparently the dissociative mechanism of adsorption.

Next Generation Hydrogen Station Composite Data Products: Retail Stations, Data through Quarter 4 of 2016

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sprik, Sam; Kurtz, Jennifer; Ainscough, Chris

This publication includes 86 composite data products (CDPs) produced for next generation hydrogen stations, with data through the fourth quarter of 2016. These CDPs include data from retail stations only.

Next Generation Hydrogen Station Composite Data Products: Retail Stations, Data through Quarter 2 of 2017

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sprik, Samuel; Kurtz, Jennifer M.; Ainscough, Christopher D.

2017-12-05

This publication includes 92 composite data products (CDPs) produced for next generation hydrogen stations, with data through the second quarter of 2017. These CDPs include data from retail stations only.

Next Generation Hydrogen Station Composite Data Products: Retail Stations, Data through Quarter 4 of 2017

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sprik, Samuel; Kurtz, Jennifer M; Saur, Genevieve

This publication includes 98 composite data products (CDPs) produced for next generation hydrogen stations, with data through the fourth quarter of 2017. These CDPs include data from retail stations only.

Next Generation Hydrogen Station Composite Data Products: Retail Stations, Data through Quarter 2 of 2017

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sprik, Samuel; Kurtz, Jennifer M; Ainscough, Christopher D.

This publication includes 92 composite data products (CDPs) produced for next generation hydrogen stations, with data through the second quarter of 2017. These CDPs include data from retail stations only.

Thermochemistry of Alane Complexes for Hydrogen Storage: A Theoretical and Experimental Investigation

PubMed Central

2011-01-01

Knowledge of the relative stabilities of alane (AlH3) complexes with electron donors is essential for identifying hydrogen storage materials for vehicular applications that can be regenerated by off-board methods; however, almost no thermodynamic data are available to make this assessment. To fill this gap, we employed the G4(MP2) method to determine heats of formation, entropies, and Gibbs free energies of formation for 38 alane complexes with NH3−nRn (R = Me, Et; n = 0−3), pyridine, pyrazine, triethylenediamine (TEDA), quinuclidine, OH2−nRn (R = Me, Et; n = 0−2), dioxane, and tetrahydrofuran (THF). Monomer, bis, and selected dimer complex geometries were considered. Using these data, we computed the thermodynamics of the key formation and dehydrogenation reactions that would occur during hydrogen delivery and alane regeneration, from which trends in complex stability were identified. These predictions were tested by synthesizing six amine−alane complexes involving trimethylamine, triethylamine, dimethylethylamine, TEDA, quinuclidine, and hexamine and obtaining upper limits of ΔG° for their formation from metallic aluminum. Combining these computational and experimental results, we establish a criterion for complex stability relevant to hydrogen storage that can be used to assess potential ligands prior to attempting synthesis of the alane complex. On the basis of this, we conclude that only a subset of the tertiary amine complexes considered and none of the ether complexes can be successfully formed by direct reaction with aluminum and regenerated in an alane-based hydrogen storage system. PMID:22962624

Atomic hydrogen as a launch vehicle propellant

NASA Technical Reports Server (NTRS)

Palaszewski, Bryan A.

1990-01-01

An analysis of several atomic hydrogen launch vehicles was conducted. A discussion of the facilities and the technologies that would be needed for these vehicles is also presented. The Gross Liftoff Weights (GLOW) for two systems were estimated; their specific impulses (I sub sp) were 750 and 1500 lb (sub f)/s/lb(sub m). The atomic hydrogen launch vehicles were also compared to the currently planned Advanced Launch System design concepts. Very significant GLOW reductions of 52 to 58 percent are possible over the Advanced Launch System designs. Applying atomic hydrogen propellants to upper stages was also considered. Very high I(sub sp) (greater than 750 1b(sub f)/s/lb(sub m) is needed to enable a mass savings over advanced oxygen/hydrogen propulsion. Associated with the potential benefits of high I(sub sp) atomic hydrogen are several challenging problems. Very high magnetic fields are required to maintain the atomic hydrogen in a solid kilogauss (3 Tesla). Also the storage temperature of the propellant is 4 K. This very low temperature will require a large refrigeration facility for the launch vehicle. The design considerations for a very high recombination rate for the propellant are also discussed. A recombination rate of 210 cm/s is predicted for atomic hydrogen. This high recombination rate can produce very high acceleration for the launch vehicle. Unique insulation or segmentation to inhibit the propellant may be needed to reduce its recombination rate.

Hydrogen Transfer during Liquefaction of Elbistan Lignite to Biomass; Total Reaction Transformation Approach

NASA Astrophysics Data System (ADS)

Koyunoglu, Cemil; Karaca, Hüseyin

2017-12-01

Given the high cost of the tetraline solvent commonly used in liquefaction, the use of manure with EL is an important factor when considering the high cost of using tetraline as a hydrogen transfer source. In addition, due to the another cost factor which is the catalyst prices, red mud (commonly used, produced as a byproduct in the production of aluminium) is reduced cost in the work of liquefaction of coal, biomass, even coal combined biomass, corresponding that making the EL liquefaction an agenda for our country is another important factor. Conditions for liquefaction experiments conducted for hydrogen transfer from manure to coal; Catalyst concentration of 9%, liquid/solid ratio of 3/1, reaction time of 60 min, fertilizer/lignite ratio of 1/3, and the reaction temperature of 400 °C, the stirred speed of 400 rpm and the initial nitrogen pressure of 20 bar was fixed. In order to demonstrate the hydrogen, transfer from manure to coal, coal is used solely, by using tetraline (also known as a hydrogen carrier) and distilled water which is not hydrogen donor as a solvent in the co-liquefaction of experiments, and also the liquefaction conditions are carried out under an inert (N2) gas atmosphere. According to the results of the obtained liquefaction test; using tetraline solvent the total liquid product conversion percentage of the oil + gas conversion was 38.3 %, however, the results of oil+gas conversion obtained using distilled water and EL combined with manure the total liquid product conversion percentage was 7.4 %. According to the results of calorific value and elemental analysis, only the ratio of (H/C)atomic of coal obtained by using tetraline increased with the liquefaction of manure and distilled water. The reason of the increase in the amount of hydrogen due to hydrogen transfer from the manure on the solid surface of the coal, and also on the surface of the inner pore of the coal during the liquefaction, brings about the evaluation of the coal as a structure involved in the recycling through the liquefaction plant if it is being installed. As a result of this study, results obtained from oil + gas data shows that when distilled water is used instead of tetraline during liquefaction of EL combined with manure, abundant crude hydrogen transfer takes place not because of using distilled water as a solvent but only with manure considered as a hydrogen sources. Furthermore, while adding manure into coal of liquefaction is also an alternative for current oil production.

Mechanical ball-milling preparation of fullerene/cobalt core/shell nanocomposites with high electrochemical hydrogen storage ability.

PubMed

Bao, Di; Gao, Peng; Shen, Xiande; Chang, Cheng; Wang, Longqiang; Wang, Ying; Chen, Yujin; Zhou, Xiaoming; Sun, Shuchao; Li, Guobao; Yang, Piaoping

2014-02-26

The design and synthesis of new hydrogen storage nanomaterials with high capacity at low cost is extremely desirable but remains challenging for today's development of hydrogen economy. Because of the special honeycomb structures and excellent physical and chemical characters, fullerenes have been extensively considered as ideal materials for hydrogen storage materials. To take the most advantage of its distinctive symmetrical carbon cage structure, we have uniformly coated C60's surface with metal cobalt in nanoscale to form a core/shell structure through a simple ball-milling process in this work. The X-ray diffraction (XRD), scanning electron microscope (SEM), Raman spectra, high-solution transmission electron microscopy (HRTEM), energy-dispersive X-ray spectrometry (EDX) elemental mappings, and X-ray photoelectron spectroscopy (XPS) measurements have been conducted to evaluate the size and the composition of the composites. In addition, the blue shift of C60 pentagonal pinch mode demonstrates the formation of Co-C chemical bond, and which enhances the stability of the as-obtained nanocomposites. And their electrochemical experimental results demonstrate that the as-obtained C60/Co composites have excellent electrochemical hydrogen storage cycle reversibility and considerably high hydrogen storage capacities of 907 mAh/g (3.32 wt % hydrogen) under room temperature and ambient pressure, which is very close to the theoretical hydrogen storage capacities of individual metal Co (3.33 wt % hydrogen). Furthermore, their hydrogen storage processes and the mechanism have also been investigated, in which the quasi-reversible C60/Co↔C60/Co-Hx reaction is the dominant cycle process.

Metal aminoboranes

DOEpatents

Burrell, Anthony K.; Davis, Benjamin J.; Thorn, David L.; Gordon, John C.; Baker, R. Thomas; Semelsberger, Troy Allen; Tumas, William; Diyabalanage, Himashinie Vichalya Kaviraj; Shrestha, Roshan P.

2010-05-11

Metal aminoboranes of the formula M(NH.sub.2BH.sub.3).sub.n have been synthesized. Metal aminoboranes are hydrogen storage materials. Metal aminoboranes are also precursors for synthesizing other metal aminoboranes. Metal aminoboranes can be dehydrogenated to form hydrogen and a reaction product. The reaction product can react with hydrogen to form a hydrogen storage material. Metal aminoboranes can be included in a kit.

Hydrogenation of biomass-derived substrates

DOEpatents

Gordon, John C.; Waidmann, Christopher R.

2016-06-07

The .alpha.,.beta.-unsaturated ketone moiety of a substrate representative of non-food based biomass was hydrogenated to the corresponding saturated alcohol moiety using a composition including (1) a copper salt; (2) a phosphine; (3) a polar aprotic solvent such as acetonitrile, and (4) a compound suitable for providing hydrogen for the hydrogenation, such as a suitable silane material or a suitable siloxane material.

Process, including membrane separation, for separating hydrogen from hydrocarbons

DOEpatents

Baker, Richard W.; Lokhandwala, Kaaeid A.; He, Zhenjie; Pinnau, Ingo

2001-01-01

Processes for providing improved methane removal and hydrogen reuse in reactors, particularly in refineries and petrochemical plants. The improved methane removal is achieved by selective purging, by passing gases in the reactor recycle loop across membranes selective in favor of methane over hydrogen, and capable of exhibiting a methane/hydrogen selectivity of at least about 2.5 under the process conditions.

Molecular Hydrogen as an Emerging Therapeutic Medical Gas for Neurodegenerative and Other Diseases

PubMed Central

Ohno, Kinji; Ito, Mikako; Ichihara, Masatoshi; Ito, Masafumi

2012-01-01

Effects of molecular hydrogen on various diseases have been documented for 63 disease models and human diseases in the past four and a half years. Most studies have been performed on rodents including two models of Parkinson's disease and three models of Alzheimer's disease. Prominent effects are observed especially in oxidative stress-mediated diseases including neonatal cerebral hypoxia; Parkinson's disease; ischemia/reperfusion of spinal cord, heart, lung, liver, kidney, and intestine; transplantation of lung, heart, kidney, and intestine. Six human diseases have been studied to date: diabetes mellitus type 2, metabolic syndrome, hemodialysis, inflammatory and mitochondrial myopathies, brain stem infarction, and radiation-induced adverse effects. Two enigmas, however, remain to be solved. First, no dose-response effect is observed. Rodents and humans are able to take a small amount of hydrogen by drinking hydrogen-rich water, but marked effects are observed. Second, intestinal bacteria in humans and rodents produce a large amount of hydrogen, but an addition of a small amount of hydrogen exhibits marked effects. Further studies are required to elucidate molecular bases of prominent hydrogen effects and to determine the optimal frequency, amount, and method of hydrogen administration for each human disease. PMID:22720117

Method of producing hydrogen

DOEpatents

Bingham, Dennis N.; Klingler, Kerry M.; Wilding, Bruce M.; Zollinger, William T.

2006-12-26

A method of producing hydrogen is disclosed and which includes providing a first composition; providing a second composition; reacting the first and second compositions together to produce a chemical hydride; providing a liquid and reacting the chemical hydride with the liquid in a manner to produce a high pressure hydrogen gas and a byproduct which includes the first composition; and reusing the first composition formed as a byproduct in a subsequent chemical reaction to form additional chemical hydride.

Potential Application of Anaerobic Extremophiles for Hydrogen Production

NASA Technical Reports Server (NTRS)

Pikuta, Elena V.; Hoover, Richard B.

2004-01-01

During substrate fermentation many anaerobes produce the hydrogen as a waste product, which often regulates the growth of the cultures as an inhibitor. In nature the hydrogen is usually removed from the ecosystem due to its physical properties or by consumption of hydrogen by secondary anaerobes, which sometimes behave as competitors for electron donors as is seen in the classical example in anaerobic microbial communities via the interaction between methanogens and sulfate- or sulfur- reducers. It was demonstrated previously on mixed cultures of anaerobes at neutral pH that bacterial hydrogen production could provide an alternative energy source. But at neutral pH the original cultures can easily be contaminated by methanogens, a most unpleasant side effect of these conditions is the development of pathogenic bacteria. In both cases the rate of hydrogen production was dramatically decreased since some part of the hydrogen was transformed to methane, and the cultivation of human pathogens on a global scale is very dangerous. In our laboratory, experiments with obligately alkaliphilic bacteria that excrete hydrogen as the end metabolic product were performed at different temperature regimes. Mesophilic and moderately thermophilic bacterial cultures have been studied and compared for the most effective hydrogen production. For high-mineralized media with pH 9.5-10.0 not many methanogens are known to exist. Furthermore, the development of pathogenic contaminant microorganisms is virtually impossible: carbonate-saturated solutions are used as antiseptics in medicine. Therefore the cultivation of alkaliphilic hydrogen producing bacteria could be considered as most safe process for global Scale industry in future. Here we present experimental data on the rates of hydrogen productivity for mesophilic, alkaliphilic, obligately anaerobic bacterium Spirocheta americana ASpG1 and moderately thermophilic, alkaliphilic, facultative anaerobe Anoxybacillus pushchinoensis K1 and discuss the potential implications for alternative energy sources.

Prediction of thermodynamically reversible hydrogen storage reactions utilizing Ca-M(M = Li, Na, K)-B-H systems: a first-principles study.

PubMed

Guo, Yajuan; Ren, Ying; Wu, Haishun; Jia, Jianfeng

2013-12-01

Calcium borohydride is a potential candidate for onboard hydrogen storage because it has a high gravimetric capacity (11.5 wt.%) and a high volumetric hydrogen content (∼130 kg m(-3)). Unfortunately, calcium borohydride suffers from the drawback of having very strongly bound hydrogen. In this study, Ca(BH₄)₂ was predicted to form a destabilized system when it was mixed with LiBH₄, NaBH₄, or KBH₄. The release of hydrogen from Ca(BH₄)₂ was predicted to proceed via two competing reaction pathways (leading to CaB₆ and CaH₂ or CaB₁₂H₁₂ and CaH₂) that were found to have almost equal free energies. Using a set of recently developed theoretical methods derived from first principles, we predicted five new hydrogen storage reactions that are among the most attractive of those presently known. These combine high gravimetric densities (>6.0 wt.% H₂) with have low enthalpies [approximately 35 kJ/(mol(-1) H₂)] and are thermodynamically reversible at low pressure within the target window for onboard storage that is actively being considered for hydrogen storage applications. Thus, the first-principles theoretical design of new materials for energy storage in future research appears to be possible.

The development of hydrogen sensor technology at NASA Lewis Research Center

NASA Technical Reports Server (NTRS)

Hunter, Gary W.; Neudeck, Philip G.; Jefferson, G. D.; Madzsar, G. C.; Liu, C. C.; Wu, Q. H.

1993-01-01

The detection of hydrogen leaks in aerospace applications, especially those involving hydrogen fuel propulsion systems, is of extreme importance for reasons of reliability, safety, and economy. Motivated by leaks occurring in liquid hydrogen lines supplying the main engine of the Space Shuttle, NASA Lewis has initiated a program to develop point-contact hydrogen sensors which address the needs of aerospace applications. Several different approaches are being explored. They include the fabrication of PdAg Schottky diode structures, the characterization of PdCr as a hydrogen sensitive alloy, and the use of SiC as a semiconductor for hydrogen sensors. This paper discusses the motivation behind and present status of each of the major components of the NASA LeRC hydrogen sensor program.

A novel liquid organic hydrogen carrier system based on catalytic peptide formation and hydrogenation

PubMed Central

Hu, Peng; Fogler, Eran; Diskin-Posner, Yael; Iron, Mark A.; Milstein, David

2015-01-01

Hydrogen is an efficient green fuel, but its low energy density when stored under high pressure or cryogenically, and safety issues, presents significant disadvantages; hence finding efficient and safe hydrogen carriers is a major challenge. Of special interest are liquid organic hydrogen carriers (LOHCs), which can be readily loaded and unloaded with considerable amounts of hydrogen. However, disadvantages include high hydrogen pressure requirements, high reaction temperatures for both hydrogenation and dehydrogenation steps, which require different catalysts, and high LOHC cost. Here we present a readily reversible LOHC system based on catalytic peptide formation and hydrogenation, using an inexpensive, safe and abundant organic compound with high potential capacity to store and release hydrogen, applying the same catalyst for loading and unloading hydrogen under relatively mild conditions. Mechanistic insight of the catalytic reaction is provided. We believe that these findings may lead to the development of an inexpensive, safe and clean liquid hydrogen carrier system. PMID:25882348

Calculations of hydrogen diffusivity in Zr-based alloys: Influence of alloying elements and effect of stress

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, J.; Jiang, C.; Zhang, Y.

This report summarizes the progress on modeling hydrogen diffusivity in Zr-based alloys. The presence of hydrogen (H) can detrimentally affect the mechanical properties of many metals and alloys. To mitigate these detrimental effects requires fundamental understanding of the thermodynamics and kinetics governing H pickup and hydride formation. In this work, we focus on H diffusion in Zr-based alloys by studying the effects of alloying elements and stress, factors that have been shown to strongly affect H pickup and hydride formation in nuclear fuel claddings. A recently developed accelerated kinetic Monte Carlo method is used for the study. It is foundmore » that for the alloys considered here, H diffusivity depends weakly on composition, with negligible effect at high temperatures in the range of 600-1200 K. Therefore, the small variation in compositions of these alloys is likely not a major cause of the very different H pickup rates. In contrast, stress strongly affects H diffusivity. This effect needs to be considered for studying hydride formation and delayed hydride cracking.« less

Techno Economic Analysis of Hydrogen Production by gasification of biomass

DOE Office of Scientific and Technical Information (OSTI.GOV)

Francis Lau

Biomass represents a large potential feedstock resource for environmentally clean processes that produce power or chemicals. It lends itself to both biological and thermal conversion processes and both options are currently being explored. Hydrogen can be produced in a variety of ways. The majority of the hydrogen produced in this country is produced through natural gas reforming and is used as chemical feedstock in refinery operations. In this report we will examine the production of hydrogen by gasification of biomass. Biomass is defined as organic matter that is available on a renewable basis through natural processes or as a by-productmore » of processes that use renewable resources. The majority of biomass is used in combustion processes, in mills that use the renewable resources, to produce electricity for end-use product generation. This report will explore the use of hydrogen as a fuel derived from gasification of three candidate biomass feedstocks: bagasse, switchgrass, and a nutshell mix that consists of 40% almond nutshell, 40% almond prunings, and 20% walnut shell. In this report, an assessment of the technical and economic potential of producing hydrogen from biomass gasification is analyzed. The resource base was assessed to determine a process scale from feedstock costs and availability. Solids handling systems were researched. A GTI proprietary gasifier model was used in combination with a Hysys(reg. sign) design and simulation program to determine the amount of hydrogen that can be produced from each candidate biomass feed. Cost estimations were developed and government programs and incentives were analyzed. Finally, the barriers to the production and commercialization of hydrogen from biomass were determined. The end-use of the hydrogen produced from this system is small PEM fuel cells for automobiles. Pyrolysis of biomass was also considered. Pyrolysis is a reaction in which biomass or coal is partially vaporized by heating. Gasification is a more general term, and includes heating as well as the injection of other ''ingredients'' such as oxygen and water. Pyrolysis alone is a useful first step in creating vapors from coal or biomass that can then be processed in subsequent steps to make liquid fuels. Such products are not the objective of this project. Therefore pyrolysis was not included in the process design or in the economic analysis. High-pressure, fluidized bed gasification is best known to GTI through 30 years of experience. Entrained flow, in contrast to fluidized bed, is a gasification technology applied at much larger unit sizes than employed here. Coal gasification and residual oil gasifiers in refineries are the places where such designs have found application, at sizes on the order of 5 to 10 times larger than what has been determined for this study. Atmospheric pressure gasification is also not discussed. Atmospheric gasification has been the choice of all power system pilot plants built for biomass to date, except for the Varnamo plant in Sweden, which used the Ahlstrom (now Foster Wheeler) pressurized gasifier. However, for fuel production, the disadvantage of the large volumetric flows at low pressure leads to the pressurized gasifier being more economical.« less

Catalyzed borohydrides for hydrogen storage

DOEpatents

Au, Ming [Augusta, GA

2012-02-28

A hydrogen storage material and process is provided in which alkali borohydride materials are created which contain effective amounts of catalyst(s) which include transition metal oxides, halides, and chlorides of titanium, zirconium, tin, and combinations of the various catalysts. When the catalysts are added to an alkali borodydride such as a lithium borohydride, the initial hydrogen release point of the resulting mixture is substantially lowered. Additionally, the hydrogen storage material may be rehydrided with weight percent values of hydrogen at least about 9 percent.

DOE Hydrogen Program: 2006 Annual Merit Review and Peer Evaluation Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Milliken, J.

This report summarizes comments from the Peer Review Panel at the FY 2006 DOE Hydrogen Program Annual Merit Review, held on May 16-19, 2006, in Arlington, Virginia. The projects evaluated support the Department of Energy and President Bush's Hydrogen Initiative. The results of this merit review and peer evaluation are major inputs used by DOE to make funding decisions. Project areas include hydrogen production and delivery; hydrogen storage; fuel cells; technology validation; safety, codes and standards; education; and systems analysis.

Mechanical properties of turbine blade alloys in hydrogen at elevated temperatures

NASA Technical Reports Server (NTRS)

Deluca, D. P.

1981-01-01

The mechanical properties of single crystal turbine blade alloys in a gaseous hydrogen environment were determined. These alloys are proposed for use in space propulsion systems in pure or partial high pressure hydrogen environments at elevated temperatures. Mechanical property tests included: tensile, creep, low fatigue (LCF), and crack growth. Specimens were in both transverse and longitudinal directions relative to the casting solidification direction. Testing was conducted on solid specimens exposed to externally pressurized environments of gaseous hydrogen and hydrogen-enriched steam.

Microscale Enhancement of Heat and Mass Transfer for Hydrogen Energy Storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Drost, Kevin; Jovanovic, Goran; Paul, Brian

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).

DOE Hydrogen Program: 2005 Annual Merit Review and Peer Evaluation Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chalk, S. G.

This report summarizes comments from the Peer Review Panel at the FY 2005 DOE Hydrogen Program Annual Merit Review, held on May 23-26, 2005, in Arlington, Virginia. The projects evaluated support the Department of Energy and President Bush's Hydrogen Initiative. The results of this merit review and peer evaluation are major inputs used by DOE to make funding decisions. Project areas include hydrogen production and delivery; hydrogen storage; fuel cells; technology validation; safety, codes and standards; education; and systems analysis.

DOE Hydrogen Program: 2007 Annual Merit Review and Peer Evaluation Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Milliken, J.

This report summarizes comments from the Peer Review Panel at the FY 2007 DOE Hydrogen Program Annual Merit Review, held on May 14-18, 2007, in Washington, D.C. The projects evaluated support the Department of Energy and President Bush's Hydrogen Initiative. The results of this merit review and peer evaluation are major inputs used by DOE to make funding decisions. Project areas include hydrogen production and delivery; hydrogen storage; fuel cells; technology validation; safety, codes and standards; education; and systems analysis.

Hydrogen Hazards Assessment Protocol (HHAP): Approach and Methodology

NASA Technical Reports Server (NTRS)

Woods, Stephen

2009-01-01

This viewgraph presentation reviews the approach and methodology to develop a assessment protocol for hydrogen hazards. Included in the presentation are the reasons to perform hazards assessment, the types of hazard assessments that exist, an analysis of hydrogen hazards, specific information about the Hydrogen Hazards Assessment Protocol (HHAP). The assessment is specifically tailored for hydrogen behavior. The end product of the assesment is a compilation of hazard, mitigations and associated factors to facilitate decision making and achieve the best practice.

Carbonate thermochemical cycle for the production of hydrogen

DOEpatents

Collins, Jack L [Knoxville, TN; Dole, Leslie R [Knoxville, TN; Ferrada, Juan J [Knoxville, TN; Forsberg, Charles W [Oak Ridge, TN; Haire, Marvin J [Oak Ridge, TN; Hunt, Rodney D [Oak Ridge, TN; Lewis, Jr, Benjamin E [Knoxville, TN; Wymer, Raymond G [Oak Ridge, TN

2010-02-23

The present invention is directed to a thermochemical method for the production of hydrogen from water. The method includes reacting a multi-valent metal oxide, water and a carbonate to produce an alkali metal-multi-valent metal oxide compound, carbon dioxide, and hydrogen.

Preliminary study of a hydrogen peroxide rocket for use in moving source jet noise tests

NASA Technical Reports Server (NTRS)

Plencner, R. M.

1977-01-01

A preliminary investigation was made of using a hydrogen peroxide rocket to obtain pure moving source jet noise data. The thermodynamic cycle of the rocket was analyzed. It was found that the thermodynamic exhaust properties of the rocket could be made to match those of typical advanced commercial supersonic transport engines. The rocket thruster was then considered in combination with a streamlined ground car for moving source jet noise experiments. When a nonthrottlable hydrogen peroxide rocket was used to accelerate the vehicle, propellant masses and/or acceleration distances became too large. However, when a throttlable rocket or an auxiliary system was used to accelerate the vehicle, reasonable propellant masses could be obtained.

Study of the Characteristics of Elementary Processes in a Chain Hydrogen Burning Reaction in Oxygen

NASA Astrophysics Data System (ADS)

Bychkov, M. E.; Petrushevich, Yu. V.; Starostin, A. N.

2017-12-01

The characteristics of possible chain explosive hydrogen burning reactions in an oxidizing medium are calculated on the potential energy surface. Specifically, reactions H2 + O2 → H2O + O, H2 + O2 → HO2 + H, and H2 + O2 → OH + OH are considered. Special attention is devoted to the production of a pair of fast highly reactive OH radicals. Because of the high activation threshold, this reaction is often excluded from the known kinetic scheme of hydrogen burning. However, a spread in estimates of kinetic characteristics and a disagreement between theoretical predictions with experimental results suggest that the kinetic scheme should be refined.

Integrated gasifier combined cycle polygeneration system to produce liquid hydrogen

NASA Technical Reports Server (NTRS)

Burns, R. K.; Staiger, P. J.; Donovan, R. M.

1982-01-01

An integrated gasifier combined cycle (IGCC) system which simultaneously produces electricity, process steam, and liquid hydrogen was evaluated and compared to IGCC systems which cogenerate electricity and process steam. A number of IGCC plants, all employing a 15 MWe has turbine and producing from 0 to 20 tons per day of liquid hydrogen and from 0 to 20 MWt of process steam were considered. The annual revenue required to own and operate such plants was estimated to be significantly lower than the potential market value of the products. The results indicate a significant potential economic benefit to configuring IGCC systems to produce a clean fuel in addition to electricity and process steam in relatively small industrial applications.

Reduction of uranium hexafluoride to tetrafluoride by using the hydrogen atoms

NASA Astrophysics Data System (ADS)

Aleksandrov, B. P.; Gordon, E. B.; Ivanov, A. V.; Kotov, A. A.; Smirnov, V. E.

2016-09-01

We consider the reduction of UF6 to UF4 by chemical reaction with hydrogen atoms originated in the powerful chemical generator. The principal design of such a chemical convertor is described. The results of the mathematical modeling of the thermodynamics and kinetics of the UF6 to UF4 reduction process are analyzed. The few options for the hydrogen atom generator design are proposed. A layout of the experimental setup with the chemical reactor is presented. The high efficiency together with the ability of the process scaling without loss of its efficiency makes this approach to the uranium hexafluoride depletion into tetrafluoride promising for its application in the industry.

Options for refuelling hydrogen fuel cell vehicles in Italy

NASA Astrophysics Data System (ADS)

Mercuri, R.; Bauen, A.; Hart, D.

Hydrogen fuel cell vehicle (H 2 FCV) trials are taking place in a number of cities around the world. In Italy, Milan and Turin are the first to have demonstration projects involving hydrogen-fuelled vehicles, in part to satisfy increasing consumer demand for improved environmental performance. The Italian transport plan specifically highlights the potential for FCVs to enter into the marketplace from around 2005. A scenario for FCV penetration into Italy, developed using projected costs for FCV and hydrogen fuel, suggests that by 2015, 2 million Italian cars could be powered by fuel cells. By 2030, 60% of the parc could be FCVs. To develop an infrastructure to supply these vehicles, a variety of options is considered. Large-scale steam reforming, on-site reforming and electrolysis options are analysed, with hydrogen delivered both in liquid and gaseous form. Assuming mature technologies, with over 10,000 units produced, on-site steam reforming provides the most economic hydrogen supply to the consumer, at US 2.6/kg. However, in the early stages of the infrastructure development there is a clear opportunity for on-site electrolysis and for production of hydrogen at centralised facilities, with delivery in the form of liquid hydrogen. This enables additional flexibility, as the hydrogen may also be used for fuel refining or for local power generation. In the current Italian context, energy companies could have a significant role to play in developing a hydrogen infrastructure. The use of hydrogen FCVs can substantially reduce emissions of regulated pollutants and greenhouse gases. Using externality costs for regulated pollutants, it is estimated that the use of hydrogen fuel cell buses in place of 5% of diesel buses in Milan could avoid US 2 million per year in health costs. The addition of even very low externality costs to fuel prices makes the use of untaxed hydrogen in buses and cars, which is slightly more expensive for the motorist than untaxed gasoline or diesel, competitive on a social cost basis.

Synthesis and Engineering Materials Properties of Fluid Phase Chemical Hydrogen Storage Materials for Automotive Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choi, Young Joon; Westman, Matthew P.; Karkamkar, Abhijeet J.

Among candidates for chemical hydrogen storage in PEM fuel cell automotive applications, ammonia borane (AB, NH3BH3) is considered to be one of the most promising materials due to its high practical hydrogen content of 14-16 wt%. This material is selected as a surrogate chemical for a hydrogen storage system. For easier transition to the existing infrastructure, a fluid phase hydrogen storage material is very attractive and thus, we investigated the engineering materials properties of AB in liquid carriers for a chemical hydrogen storage slurry system. Slurries composed of AB and high temperature liquids were prepared by mechanical milling and sonicationmore » in order to obtain stable and fluidic properties. Volumetric gas burette system was adopted to observe the kinetics of the H2 release reactions of the AB slurry and neat AB. Viscometry and microscopy were employed to further characterize slurries engineering properties. Using a tip-sonication method we have produced AB/silicone fluid slurries at solid loadings up to 40wt% (6.5wt% H2) with viscosities less than 500cP at 25°C.« less

Luminescence dynamics of bound exciton of hydrogen doped ZnO nanowires

DOE PAGES

Yoo, Jinkyoung; Yi, Gyu -Chul; Chon, Bonghwan; ...

2016-04-11

In this study, all-optical camera, converting X-rays into visible photons, is a promising strategy for high-performance X-ray imaging detector requiring high detection efficiency and ultrafast detector response time. Zinc oxide is a suitable material for all-optical camera due to its fast radiative recombination lifetime in sub-nanosecond regime and its radiation hardness. ZnO nanostructures have been considered as proper building blocks for ultrafast detectors with spatial resolution in sub-micrometer scale. To achieve remarkable enhancement of luminescence efficiency n-type doping in ZnO has been employed. However, luminescence dynamics of doped ZnO nanostructures have not been thoroughly investigated whereas undoped ZnO nanostructures havemore » been employed to study their luminescence dynamics. Here we report a study of luminescence dynamics of hydrogen doped ZnO nanowires obtained by hydrogen plasma treatment. Hydrogen doping in ZnO nanowires gives rise to significant increase in the near-band-edge emission of ZnO and decrease in averaged photoluminescence lifetime from 300 to 140 ps at 10 K. The effects of hydrogen doping on the luminescent characteristics of ZnO nanowires were changed by hydrogen doping process variables.« less

Assessment of the potential future market in Sweden for hydrogen as an energy carrier

NASA Astrophysics Data System (ADS)

Carleson, G.

Future hydrogen markets for the period 1980-2025 are projected, the probable range of hydrogen production costs for various manufacturing methods is estimated, and expected market shares in competition with alternative energy carriers are evaluated. A general scenario for economic and industrial development in Sweden for the given period was evaluated, showing the average increase in gross national product to become 1.6% per year. Three different energy scenarios were then developed: alternatives were based on nuclear energy, renewable indigenous energy sources, and the present energy situation with free access to imported natural or synthetic fuels. An analysis was made within each scenario of the competitiveness of hydrogen on both the demand and the supply of the following sectors: chemical industry, steel industry, peak power production, residential and commercial heating, and transportation. Costs were calculated for the production, storage and transmission of hydrogen according to technically feasible methods and were compared to those of alternative energy carriers. Health, environmental and societal implications were also considered. The market penetration of hydrogen in each sector was estimated, and the required investment capital was shown to be less than 4% of the national gross investment sum.

Inelastic Transitions in Slow Collisions of Anti-Hydrogen with Hydrogen Atoms

NASA Astrophysics Data System (ADS)

Harrison, Robert; Krstic, Predrag

2007-06-01

We calculate excited adiabatic states and nonadiabatic coupling matrix elements of a quasimolecular system containing hydrogen and anti-hydrogen atoms, for a range of internuclear distances from 0.2 to 20 Bohrs. High accuracy is achieved by exact diagonalization of the molecular Hamiltionian in a large Gaussian basis. Nonadiabatic dynamics was calculated by solving MOCC equations. Positronium states are included in the consideration.

Comparative study of hydrogen storage on metal doped mesoporous materials

NASA Astrophysics Data System (ADS)

Carraro, P. M.; Sapag, K.; Oliva, M. I.; Eimer, G. A.

2018-06-01

The hydrogen adsorption capacity of mesoporous materials MCM-41 modified with Co, Fe, Ti, Mg and Ni at 77 K and 10 bar was investigated. Various techniques including XRD, N2 adsorption and DRUV-vis were employed for the materials characterization. The results showed that a low nickel loading on MCM-41 support promoted the presence of hydrogen-favorable sites, increasing the hydrogen storage capacity.

SPE (tm) regenerative hydrogen/oxygen fuel cells for extraterrestrial surface and microgravity applications

NASA Technical Reports Server (NTRS)

Mcelroy, J. F.

1990-01-01

Viewgraphs on SPE regenerative hydrogen/oxygen fuel cells for extraterrestrial surface and microgravity applications are presented. Topics covered include: hydrogen-oxygen regenerative fuel cell energy storage system; electrochemical cell reactions; SPE cell voltage stability; passive water removal SPE fuel cell; fuel cell performance; SPE water electrolyzers; hydrophobic oxygen phase separator; hydrophilic/electrochemical hydrogen phase separator; and unitized regenerative fuel cell.

Development of a microwave-type densimeter for slush hydrogen

NASA Astrophysics Data System (ADS)

Ohira, K.; Nakamichi, K.; Kihara, Y.

2003-10-01

Slush hydrogen is a two-phase solid-liquid cryogenic fluid consisting of solid hydrogen particles in liquid hydrogen, various applications for which are anticipated, including fuel for reusable space shuttles. The authors of the current study have measured the density of slush hydrogen by using the phase shift that takes place when microwaves are propagated through slush hydrogen, i.e., using the change in the specific dielectric constant. This new technique, unlike the conventional method using a waveguide and horn antenna, features a coaxial cable and patch antenna that can be used at cryogenic temperatures, leading to the development of a slush hydrogen densimeter with a high accuracy of within ±0.5%.

Fractographic analysis of gaseous hydrogen induced cracking in 18Ni maraging steel

NASA Technical Reports Server (NTRS)

Gangloff, R. P.; Wei, R. P.

1978-01-01

Electron microscope fractographic analysis supplemented an extensive study of the kinetics of gaseous hydrogen assisted cracking in 18Ni maraging steel. Temperature determined the crack path morphology in each steel which, in turn, was directly related to the temperature dependence of the crack growth rate. Crack growth in the low temperature regime proceeded along prior austenite grain boundaries. Increasing the temperature above a critical value produced a continuously increasing proportion of transgranular quasi-cleavage associated with lath martensite boundaries. The amount of transgranular cracking was qualitatively correlated with the degree of temperature-induced deviation from Arrhenius behavior. Fractographic observations are interpreted in terms of hypothesized mechanisms for gaseous hydrogen embrittlement. It is concluded that hydrogen segregation to prior austenite and lath martensite boundaries must be considered as a significant factor in developing mechanisms for gaseous embrittlement of high strength steels.

Hydrogen molecules and chains in a superstrong magnetic field

NASA Technical Reports Server (NTRS)

Lai, Dong; Salpeter, Edwin E.; Shapiro, Stuart L.

1992-01-01

The electronic structures of hydrogen polymolecules H(n) (n = 2,3,4,...) is studied in a superstrong magnetic field (B greater than about 10 exp 12 G) typically found on the surface of a neutron star. Simple analytical scaling relations for several limiting cases (e.g., large n, high B field) are derived. The binding energies of H(n) molecules are numerically calculated for various magnetic-field strengths. For a given magnetic-field strength, the binding energy per atom in the H(n) molecules is found to approach a constant value as n increases. For typical field strengths of interest, energy saturation is essentially achieved once n exceeds 3 to 4. Also considered is the structure of negative H ions in a high magnetic field. For B about 10 exp 12 G, the dissociation energy of an atom in a hydrogen chain and the ionization potential of H(-) are smaller than the ionization potential of neutral atomic hydrogen.

Preparation and X-ray diffraction studies of curium hydrides

NASA Astrophysics Data System (ADS)

Gibson, J. K.; Haire, R. G.

1985-10-01

Curium hydrides were prepared by reaction of curium-248 metal with hydrogen and characterized by X-ray powder diffraction. Several of the syntheses resulted in a hexagonal compound with average lattice parameters of a0 = 0.3769(8) nm and c0 = 0.6732(12) nm. These products are considered to be CmH 3-δ by analogy with the behavior of lanthanide-hydrogen and lighter actinide-hydrogen systems. Face-centered cubic products with an average lattice parameter of a0 = 0.5322(4) nm were obtained from other curium hydride preparations. This parameter is slightly smaller than that reported previously for cubic curium dihydride, CmH 2+ x (B. M. Bansal and D. Damien, Inorg. Nucl. Chem. Lett., 6, 603, 1970). The present results established a continuation of typical heavy trivalent lanthanide-like behavior of the transuranium actinide-hydrogen systems through curium.

Effects of cerium on the hydrogen absorption-desorption properties of rare earth-Mg-Ni hydrogen-absorbing alloys

NASA Astrophysics Data System (ADS)

Yasuoka, Shigekazu; Ishida, Jun; Kishida, Kyosuke; Inui, Haruyuki

2017-04-01

The influence of Ce addition on the phase constitution, microstructure, hydrogen absorption/desorption properties and battery performances of newly developed rare earth (RE)-Mg-Ni hydrogen-absorbing superlattice alloys for negative electrode materials in Ni-metal hydride (MH) batteries were investigated. The partial substitution of RE (La and Nd) with Ce results in a higher discharge performance and a lower cycle life in the battery. The Ce addition greatly affects the phase constitution, which is mainly characterized by increased formation of the AB2 phase (A = RE or Mg and B = Ni or Al). The existence of the AB2 phase is found to accelerate alloy pulverization and oxidation when the alloys are used as negative electrode materials in Ni-MH model cells. The accelerated pulverization and oxidation are considered to be responsible for the observed higher discharge performance and lower cycle life in the batteries, respectively.

Ultraviolet observations of cool stars. VII - Local interstellar hydrogen and deuterium Lyman-alpha

NASA Technical Reports Server (NTRS)

Mcclintock, W.; Henry, R. C.; Linsky, J. L.; Moos, H. W.

1978-01-01

High-resolution Copernicus spectra of Epsilon Eri and Epsilon Ind containing interstellar hydrogen and deuterium L-alpha absorption lines are presented, reduced, and analyzed. Parameters of the interstellar hydrogen and deuterium toward these two stars are derived independently, without any assumptions concerning the D/H ratio. Copernicus spectra of Alpha Aur and Alpha Cen A are reanalyzed, and limits on the D/H number-density ratio consistent with the data for all four stars are considered. A comparison of the present estimates for the parameters of the local interstellar medium with those obtained by other techniques shows that there is no compelling evidence for significant variations in the hydrogen density and D/H ratio in the local interstellar medium. On this basis the hypothesis of an approaching local interstellar cloud proposed by Vidal-Madjar et al. (1978) is rejected

Meso-scale anisotropic hydrogen segregation near grain-boundaries in polycrystalline nickel characterized by EBSD/SIMS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oudriss, A.; Le Guernic, Solenne; Wang, Zhaoying

2016-02-15

To study anisotropic hydrogen segregation and diffusion in nickel polycrystalline, Secondary Ion Mass Spectrometry (SIMS) and Electron Back Scattered Diffraction (EBSD) are integrated to investigate hydrogen distribution around grain boundaries. Hydrogen distribution in pre-charged samples were correlated with grain boundary character by integrating high-resolution grain microstructure from EBSD inverse pole figure map and low-resolution hydrogen concentration profile map from SIMS. This multimodal imaging instrumentation shows that grain boundaries in nickel can be categorized into two families based on behavior of hydrogen distribution crossing grain boundary: the first one includes random grain boundaries with fast hydrogen diffusivity, showing a sharp gapmore » for hydrogen concentration profile cross the grain boundaries. The second family are special Σ3n grain boundaries with low hydrogen diffusivity, showing a smooth gradient of hydrogen concentration cross the grain boundary. Heterogeneous hydrogen distributions due to grain boundary family revealed by SIMS/EBSD on mesoscale further validate the recent hydrogen permeation data and anisotropic ab-initio calculations in nanoscale. The results highlight the fact that grain boundaries character impacts hydrogen distribution significantly.« less

Next Generation Hydrogen Station Composite Data Products: Retail Stations, Data Through Quarter 3 of 2016

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sprik, Sam; Kurtz, Jennifer; Ainscough, Chris

This publication includes 80 composite data products (CDPs) produced in Spring 2016 for next generation hydrogen stations, with data through the third quarter of 2016. These CDPs include data from retail stations only.

Renewable Hydrogen Potential from Biogas in the United States

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saur, G.; Milbrandt, A.

This analysis updates and expands upon previous biogas studies to include total potential and net availability of methane in raw biogas with respect to competing demands and includes a resource assessment of four sources of biogas: (1) wastewater treatment plants, including domestic and a new assessment of industrial sources; (2) landfills; (3) animal manure; and (4) a new assessment of industrial, institutional, and commercial sources. The results of the biogas resource assessment are used to estimate the potential production of renewable hydrogen from biogas as well as the fuel cell electric vehicles that the produced hydrogen might support.

Pure spin current injection in hydrogenated graphene structures

NASA Astrophysics Data System (ADS)

Zapata-Peña, Reinaldo; Mendoza, Bernardo S.; Shkrebtii, Anatoli I.

2017-11-01

We present a theoretical study of spin-velocity injection (SVI) of a pure spin current (PSC) induced by linearly polarized light that impinges normally on the surface of two 50% hydrogenated noncentrosymmetric two-dimensional (2D) graphene structures. The first structure, labeled Up and also known as graphone, is hydrogenated only on one side, and the second, labeled Alt, is 25% hydrogenated at both sides. The hydrogenation opens an energy gap on both structures. The PSC formalism has been developed in the length gauge perturbing Hamiltonian, and includes, through the single-particle density matrix, the excited coherent superposition of the spin-split conduction bands inherent to the noncentrosymmetric nature of the structures considered in this work. We analyze two possibilities: in the first, the spin is fixed along a chosen direction, and the resulting SVI is calculated; in the second, we choose the SVI direction along the surface plane, and calculate the resulting spin orientation. This is done by changing the energy ℏ ω and polarization angle α of the incoming light. The results are calculated within a full electronic band structure scheme using the density functional theory (DFT) in the local density approximation (LDA). The maxima of the spin velocities are reached when ℏ ω =0.084 eV and α =35∘ for the Up structure, and ℏ ω =0.720 eV and α =150∘ for the Alt geometry. We find a speed of 668 and 645 km/s for the Up and the Alt structures, respectively, when the spin points perpendicularly to the surface. Also, the response is maximized by fixing the spin-velocity direction along a high-symmetry axis, obtaining a speed of 688 km/s with the spin pointing at 13∘ from the surface normal, for the Up, and 906 km/s and the spin pointing at 60∘ from the surface normal, for the Alt system. These speed values are orders of magnitude larger than those of bulk semiconductors, such as CdSe and GaAs, thus making the hydrogenated graphene structures excellent candidates for spintronics applications.

Hydrogen evolution reaction catalyst

DOEpatents

Subbaraman, Ram; Stamenkovic, Vojislav; Markovic, Nenad; Tripkovic, Dusan

2016-02-09

Systems and methods for a hydrogen evolution reaction catalyst are provided. Electrode material includes a plurality of clusters. The electrode exhibits bifunctionality with respect to the hydrogen evolution reaction. The electrode with clusters exhibits improved performance with respect to the intrinsic material of the electrode absent the clusters.

Small Intestinal Bacterial Overgrowth and Irritable Bowel Syndrome: A Bridge between Functional Organic Dichotomy.

PubMed

Ghoshal, Uday C; Shukla, Ratnakar; Ghoshal, Ujjala

2017-03-15

The pathogenesis of irritable bowel syndrome (IBS), once thought to be largely psychogenic in origin, is now understood to be multifactorial. One of the reasons for this paradigm shift is the realization that gut dysbiosis, including small intestinal bacterial overgrowth (SIBO), causes IBS symptoms. Between 4% and 78% of patients with IBS and 1% and 40% of controls have SIBO; such wide variations in prevalence might result from population differences, IBS diagnostic criteria, and, most importantly, methods to diagnose SIBO. Although quantitative jejunal aspirate culture is considered the gold standard for the diagnosis of SIBO, noninvasive hydrogen breath tests have been popular. Although the glucose hydrogen breath test is highly specific, its sensitivity is low; in contrast, the early-peak criteria in the lactulose hydrogen breath test are highly nonspecific. Female gender, older age, diarrhea-predominant IBS, bloating and flatulence, proton pump inhibitor and narcotic intake, and low hemoglobin are associated with SIBO among IBS patients. Several therapeutic trials targeting gut microbes using antibiotics and probiotics have further demonstrated that not all symptoms in patients with IBS originate in the brain but rather in the gut, providing support for the micro-organic basis of IBS. A recent proof-of-concept study showing the high frequency of symptom improvement in patients with IBS with SIBO further supports this hypothesis.

Hydrogen Sulfide: A Signal Molecule in Plant Cross-Adaptation

PubMed Central

Li, Zhong-Guang; Min, Xiong; Zhou, Zhi-Hao

2016-01-01

For a long time, hydrogen sulfide (H2S) has been considered as merely a toxic by product of cell metabolism, but nowadays is emerging as a novel gaseous signal molecule, which participates in seed germination, plant growth and development, as well as the acquisition of stress tolerance including cross-adaptation in plants. Cross-adaptation, widely existing in nature, is the phenomenon in which plants expose to a moderate stress can induce the resistance to other stresses. The mechanism of cross-adaptation is involved in a complex signal network consisting of many second messengers such as Ca2+, abscisic acid, hydrogen peroxide and nitric oxide, as well as their crosstalk. The cross-adaptation signaling is commonly triggered by moderate environmental stress or exogenous application of signal molecules or their donors, which in turn induces cross-adaptation by enhancing antioxidant system activity, accumulating osmolytes, synthesizing heat shock proteins, as well as maintaining ion and nutrient balance. In this review, based on the current knowledge on H2S and cross-adaptation in plant biology, H2S homeostasis in plant cells under normal growth conditions; H2S signaling triggered by abiotic stress; and H2S-induced cross-adaptation to heavy metal, salt, drought, cold, heat, and flooding stress were summarized, and concluded that H2S might be a candidate signal molecule in plant cross-adaptation. In addition, future research direction also has been proposed. PMID:27833636

Estimating enthalpy of vaporization from vapor pressure using Trouton's rule.

PubMed

MacLeod, Matthew; Scheringer, Martin; Hungerbühler, Konrad

2007-04-15

The enthalpy of vaporization of liquids and subcooled liquids at 298 K (delta H(VAP)) is an important parameter in environmental fate assessments that consider spatial and temporal variability in environmental conditions. It has been shown that delta H(VAP)P for non-hydrogen-bonding substances can be estimated from vapor pressure at 298 K (P(L)) using an empirically derived linear relationship. Here, we demonstrate that the relationship between delta H(VAP)and PL is consistent with Trouton's rule and the ClausiusClapeyron equation under the assumption that delta H(VAP) is linearly dependent on temperature between 298 K and the boiling point temperature. Our interpretation based on Trouton's rule substantiates the empirical relationship between delta H(VAP) degree and P(L) degrees for non-hydrogen-bonding chemicals with subcooled liquid vapor pressures ranging over 15 orders of magnitude. We apply the relationship between delta H(VAP) degrees and P(L) degrees to evaluate data reported in literature reviews for several important classes of semivolatile environmental contaminants, including polycyclic aromatic hydrocarbons, chlorobenzenes, polychlorinated biphenyls and polychlorinated dibenzo-dioxins and -furans and illustrate the temperature dependence of results from a multimedia model presented as a partitioning map. The uncertainty associated with estimating delta H(VAP)degrees from P(L) degrees using this relationship is acceptable for most environmental fate modeling of non-hydrogen-bonding semivolatile organic chemicals.

Simulations of the OKE Response in Simple Liquids Using a Polarizable and a Nonpolarizable Force Field.

PubMed

Polok, Kamil

2018-02-08

Recently polarizable force fields are becoming increasingly popular for molecular dynamics simulations. As the signal obtained in the optical Kerr effect (OKE) experiment is due to the polarizability dynamics of the investigated system, a study is conducted in order to compare the experimental results with those obtained with the polarizable AMOEBA force field. The comparison is made in the frequency domain; however, time domain data are also included. The selected molecular systems are the isotropic carbon tetrachloride molecule, the anisotropic chloroform, carbon disulfide and acetone molecules, and the hydrogen-bonded water and methanol molecules. Different dipole-induced-dipole (DID) method variants are used for calculation of the OKE response, showing the importance of use of the all-atom approach with preoptimized atomic polarizabilities. In order to obtain a good intermolecular to intramolecular components amplitude ratio, the isotropic polarizability in the Thole correction needs to be updated between iterations. The convergence of the spectra calculated with different DID variants is also considered, and the approach that appears to be the best gives a very good approximation after three iterations. The comparison of the experimental and simulated spectra shows a rather good agreement for the non-hydrogen-bonded molecules, although the contribution of the reorientation of anisotropic molecules is overestimated. In the case of the hydrogen-bonded molecules, the theoretical spectra are far from the experimental ones. The highly overestimated librational bands indicate excessive polarizability anisotropy introduced by the potential model. Finally, in order to verify the significance of different components of the AMOEBA model, it is gradually simplified and compared with a simple reference potential model. Removal of polarizability shows a tremendous change in the case of hydrogen-bonded liquids, whereas for the other molecules it is of minor importance. The non-hydrogen-bonded liquids are, however, more sensitive to the presence of atomic multipoles in the model.

The chemistry of sour taste and the strategy to reduce the sour taste of beer.

PubMed

Li, Hong; Liu, Fang

2015-10-15

The contributions of free hydrogen ions, undissociated hydrogen ions in protonated acid species, and anionic acid species to sour taste were studied through sensory experiments. According to tasting results, it can be inferred that the basic substance producing a sour taste is the hydrogen ion, including free hydrogen ions and undissociated hydrogen ions. The intensity of a sour taste is determined by the total concentration of free hydrogen ions and undissociated hydrogen ions. The anionic acid species (without hydrogen ions) does not produce a sour taste but can intensify or weaken the intensity of a sour taste. It seems that hydroxyl or conjugated groups in anionic acid species can intensify the sour taste produced by hydrogen ions. The following strategy to reduce the sensory sourness is advanced: not only reduce free hydrogen ions, namely elevate pH value, but also reduce the undissociated hydrogen ions contained in protonated acid species. Copyright © 2015 Elsevier Ltd. All rights reserved.

Solar hydrogen production: renewable hydrogen production by dry fuel reforming

NASA Astrophysics Data System (ADS)

Bakos, Jamie; Miyamoto, Henry K.

2006-09-01

SHEC LABS - Solar Hydrogen Energy Corporation constructed a pilot-plant to demonstrate a Dry Fuel Reforming (DFR) system that is heated primarily by sunlight focusing-mirrors. The pilot-plant consists of: 1) a solar mirror array and solar concentrator and shutter system; and 2) two thermo-catalytic reactors to convert Methane, Carbon Dioxide, and Water into Hydrogen. Results from the pilot study show that solar Hydrogen generation is feasible and cost-competitive with traditional Hydrogen production. More than 95% of Hydrogen commercially produced today is by the Steam Methane Reformation (SMR) of natural gas, a process that liberates Carbon Dioxide to the atmosphere. The SMR process provides a net energy loss of 30 to 35% when converting from Methane to Hydrogen. Solar Hydrogen production provides a 14% net energy gain when converting Methane into Hydrogen since the energy used to drive the process is from the sun. The environmental benefits of generating Hydrogen using renewable energy include significant greenhouse gas and criteria air contaminant reductions.

Hydrogen fuel dispensing station for transportation vehicles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, S.P.N.; Richmond, A.A.

1995-07-01

A technical and economic assessment is being conducted of a hydrogen fuel dispensing station to develop an understanding of the infrastructure requirements for supplying hydrogen fuel for mobile applications. The study includes a process design of a conceptual small-scale, stand-alone, grassroots fuel dispensing facility (similar to the present-day gasoline stations) producing hydrogen by steam reforming of natural gas. Other hydrogen production processes (such as partial oxidation of hydrocarbons and water electrolysis) were reviewed to determine their suitability for manufacturing the hydrogen. The study includes an assessment of the environmental and other regulatory permitting requirements likely to be imposed on amore » hydrogen fuel dispensing station for transportation vehicles. The assessment concludes that a dispensing station designed to produce 0.75 million standard cubic feet of fuel grade (99.99%+ purity) hydrogen will meet the fuel needs of 300 light-duty vehicles per day. Preliminary economics place the total capital investment (in 1994 US dollars) for the dispensing station at $4.5 million and the annual operating costs at around $1 million. A discounted cash-flow analysis indicates that the fuel hydrogen product price (excluding taxes) to range between $1.37 to $2.31 per pound of hydrogen, depending upon the natural gas price, the plant financing scenario, and the rate of return on equity capital. A report on the assessment is due in June 1995. This paper presents a summary of the current status of the assessment.« less

LARGE-SCALE HYDROGEN PRODUCTION FROM NUCLEAR ENERGY USING HIGH TEMPERATURE ELECTROLYSIS

DOE Office of Scientific and Technical Information (OSTI.GOV)

James E. O'Brien

2010-08-01

Hydrogen can be produced from water splitting with relatively high efficiency using high-temperature electrolysis. This technology makes use of solid-oxide cells, running in the electrolysis mode to produce hydrogen from steam, while consuming electricity and high-temperature process heat. When coupled to an advanced high temperature nuclear reactor, the overall thermal-to-hydrogen efficiency for high-temperature electrolysis can be as high as 50%, which is about double the overall efficiency of conventional low-temperature electrolysis. Current large-scale hydrogen production is based almost exclusively on steam reforming of methane, a method that consumes a precious fossil fuel while emitting carbon dioxide to the atmosphere. Demandmore » for hydrogen is increasing rapidly for refining of increasingly low-grade petroleum resources, such as the Athabasca oil sands and for ammonia-based fertilizer production. Large quantities of hydrogen are also required for carbon-efficient conversion of biomass to liquid fuels. With supplemental nuclear hydrogen, almost all of the carbon in the biomass can be converted to liquid fuels in a nearly carbon-neutral fashion. Ultimately, hydrogen may be employed as a direct transportation fuel in a “hydrogen economy.” The large quantity of hydrogen that would be required for this concept should be produced without consuming fossil fuels or emitting greenhouse gases. An overview of the high-temperature electrolysis technology will be presented, including basic theory, modeling, and experimental activities. Modeling activities include both computational fluid dynamics and large-scale systems analysis. We have also demonstrated high-temperature electrolysis in our laboratory at the 15 kW scale, achieving a hydrogen production rate in excess of 5500 L/hr.« less

The role of multidrug resistance protein (MRP-1) as an active efflux transporter on blood-brain barrier (BBB) permeability.

PubMed

Lingineni, Karthik; Belekar, Vilas; Tangadpalliwar, Sujit R; Garg, Prabha

2017-05-01

Drugs acting on central nervous system (CNS) may take longer duration to reach the market as these compounds have a higher attrition rate in clinical trials due to the complexity of the brain, side effects, and poor blood-brain barrier (BBB) permeability compared to non-CNS-acting compounds. The roles of active efflux transporters with BBB are still unclear. The aim of the present work was to develop a predictive model for BBB permeability that includes the MRP-1 transporter, which is considered as an active efflux transporter. A support vector machine model was developed for the classification of MRP-1 substrates and non-substrates, which was validated with an external data set and Y-randomization method. An artificial neural network model has been developed to evaluate the role of MRP-1 on BBB permeation. A total of nine descriptors were selected, which included molecular weight, topological polar surface area, ClogP, number of hydrogen bond donors, number of hydrogen bond acceptors, number of rotatable bonds, P-gp, BCRP, and MRP-1 substrate probabilities for model development. We identified 5 molecules that fulfilled all criteria required for passive permeation of BBB, but they all have a low logBB value, which suggested that the molecules were effluxed by the MRP-1 transporter.

Measurement Of Hydrogen Capacities And Stability In Thin Films Of AlH Deposited By Magnetron Sputtering

NASA Astrophysics Data System (ADS)

Dissanayake, A.; AlFaify, S.; Garratt, E.; Nandasiri, M. I.; Taibu, R.; Tecos, G.; Hamdan, N. M.; Kayani, A.

2011-06-01

Thin, hydrogenated aluminum hydride films were deposited on silicon substrates using unbalanced magnetron (UBM) sputtering of a high purity aluminum target under electrically grounded conditions. Argon was used as sputtering gas and hydrogenation was carried out by diluting the growth plasma with hydrogen. The effect of hydrogen partial pressure on the final concentration of trapped elements including hydrogen has been studied using ion beam analysis (IBA) techniques. Moreover, in-situ thermal stability of trapped hydrogen in the film was carried out using Rutherford Backscattering Spectrometry (RBS), Non-Rutherford Backscattering Spectrometry (NRBS) and Elastic Recoil Detection Analysis (ERDA). Microstructure of the film was investigated by SEM analysis. Hydrogen content in the thin films was found decreasing as the films were heated above 110 °C in vacuum.

Evaluating different concentrations of hydrogen peroxide in an automated room disinfection system.

PubMed

Murdoch, L E; Bailey, L; Banham, E; Watson, F; Adams, N M T; Chewins, J

2016-09-01

A comparative study was made on the efficacy of 5, 10 and 35% weight by weight (w/w) hydrogen peroxide solutions when applied using an automated room disinfection system. Six-log biological indicators of methicillin-resistant Staphylococcus aureus (MRSA) and Geobacillus stearothermophilus were produced on stainless steel coupons and placed within a large, sealed, environmentally controlled enclosure. Five percent hydrogen peroxide was distributed throughout the enclosure using a Bioquell hydrogen peroxide vapour generator (BQ-50) for 40 min and left to reside for a further 200 min. Biological indicators were removed at 10-min intervals throughout the first 120 min of the process. The experiment was repeated for 10 and 35% hydrogen peroxide solutions. Five percent and 10% hydrogen peroxide solutions failed to achieve any reduction of MRSA, but achieved full kill of G. stearothermophilus spores at 70 and 40 min respectively. Thirty-five percent hydrogen peroxide achieved a 6-log reduction of MRSA after 30 min and full kill of G. stearothermophilus at 20 min. The concentration of 5% hydrogen peroxide within the enclosure after the 200-min dwell was measured at 9·0 ppm. This level exceeds the 15-min Short Term Exposure Limit (STEL) for hydrogen peroxide of 2·0 ppm. Users of automated hydrogen peroxide disinfection systems should review system efficacy and room re-entry protocols in light of these results. This research allows hospital infection control teams to consider the impact and risks of using low concentrations of hydrogen peroxide for disinfection within their facilities, and to question automated room disinfection system providers on the efficacy claims they make. The evidence that low concentration hydrogen peroxide solutions do not rapidly, autonomously break down, is in contradiction to the claims made by some hydrogen peroxide equipment providers and raises serious health and safety concerns. Facilities using hydrogen peroxide systems that claim autonomous break down of hydrogen peroxide should introduce monitoring procedures to ensure rooms are safe for re-entry and patient occupation. © 2016 The Society for Applied Microbiology.

Integration and dynamics of a renewable regenerative hydrogen fuel cell system

NASA Astrophysics Data System (ADS)

Bergen, Alvin Peter

2008-10-01

This thesis explores the integration and dynamics of residential scale renewable-regenerative energy systems which employ hydrogen for energy buffering. The development of the Integrated Renewable Energy Experiment (IRENE) test-bed is presented. IRENE is a laboratory-scale distributed energy system with a modular structure which can be readily re-configured to test newly developed components for generic regenerative systems. Key aspects include renewable energy conversion, electrolysis, hydrogen and electricity storage, and fuel cells. A special design feature of this test bed is the ability to accept dynamic inputs from and provide dynamic loads to real devices as well as from simulated energy sources/sinks. The integration issues encountered while developing IRENE and innovative solutions devised to overcome these barriers are discussed. Renewable energy systems that employ a regenerative approach to enable intermittent energy sources to service time varying loads rely on the efficient transfer of energy through the storage media. Experiments were conducted to evaluate the performance of the hydrogen energy buffer under a range of dynamic operating conditions. Results indicate that the operating characteristics of the electrolyser under transient conditions limit the production of hydrogen from excess renewable input power. These characteristics must be considered when designing or modeling a renewable-regenerative system. Strategies to mitigate performance degradation due to interruptions in the renewable power supply are discussed. Experiments were conducted to determine the response of the IRENE system to operating conditions that are representative of a residential scale, solar based, renewable-regenerative system. A control algorithm, employing bus voltage constraints and device current limitations, was developed to guide system operation. Results for a two week operating period that indicate that the system response is very dynamic but repeatable are presented. The overall system energy balance reveals that the energy input from the renewable source was sufficient to meet the demand load and generate a net surplus of hydrogen. The energy loss associated with the various system components as well as a breakdown of the unused renewable energy input is presented. In general, the research indicates that the technical challenges associated with hydrogen energy buffing can be overcome, but the round trip efficiency for the current technologies is low at only 22 percent.

Velocity-resolved [{\\rm{C}}\\,{\\rm{II}}] Emission from Cold Diffuse Clouds in the Interstellar Medium

NASA Astrophysics Data System (ADS)

Goldsmith, Paul F.; Pineda, Jorge L.; Neufeld, David A.; Wolfire, Mark G.; Risacher, Christophe; Simon, Robert

2018-04-01

We have combined emission from the 158 μm fine structure transition of C+ observed with the GREAT and upGREAT instruments on SOFIA with 21 cm absorption spectra and visual extinction to characterize the diffuse interstellar clouds found along the lines of sight. The weak [C II] emission is consistent in velocity and line width with the strongest H I component produced by the cold neutral medium. The H I column density and kinetic temperature are known from the 21 cm data and, assuming a fractional abundance of ionized carbon, we calculate the volume density and thermal pressure of each source, which vary considerably, with 27 {cm}}-3≤slant n({{{H}}}0) ≤slant 210 cm‑3 considering only the atomic hydrogen along the lines of sight to be responsible for the C+, while 13 {cm}}-3≤slant n({{{H}}}0+{{{H}}}2)≤slant 190 cm‑3 including the hydrogen in both forms. The thermal pressure varies widely with 1970 cm‑3 K ≤slant {P}th}/k≤slant 10,440 cm‑3 K for H0 alone and 750 cm‑3 K ≤ P th/k ≤ 9360 cm‑3 K including both H0 and H2. The molecular hydrogen fraction varies between 0.10 and 0.67. Photoelectric heating is the dominant heating source, supplemented by a moderately enhanced cosmic ray ionization rate, constrained by the relatively low 45 K to 73 K gas temperatures of the clouds. The resulting thermal balance for the two lower-density clouds is satisfactory, but for the two higher-density clouds, the combined heating rate is insufficient to balance the observed C+ cooling.

An Analysis of Methanol and Hydrogen Production via High-Temperature Electrolysis Using the Sodium Cooled Advanced Fast Reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shannon M. Bragg-Sitton; Richard D. Boardman; Robert S. Cherry

2014-03-01

Integration of an advanced, sodium-cooled fast spectrum reactor into nuclear hybrid energy system (NHES) architectures is the focus of the present study. A techno-economic evaluation of several conceptual system designs was performed for the integration of a sodium-cooled Advanced Fast Reactor (AFR) with the electric grid in conjunction with wind-generated electricity. Cases in which excess thermal and electrical energy would be reapportioned within an integrated energy system to a chemical plant are presented. The process applications evaluated include hydrogen production via high temperature steam electrolysis and methanol production via steam methane reforming to produce carbon monoxide and hydrogen which feedmore » a methanol synthesis reactor. Three power cycles were considered for integration with the AFR, including subcritical and supercritical Rankine cycles and a modified supercritical carbon dioxide modified Brayton cycle. The thermal efficiencies of all of the modeled power conversions units were greater than 40%. A thermal efficiency of 42% was adopted in economic studies because two of the cycles either performed at that level or could potentially do so (subcritical Rankine and S-CO2 Brayton). Each of the evaluated hybrid architectures would be technically feasible but would demonstrate a different internal rate of return (IRR) as a function of multiple parameters; all evaluated configurations showed a positive IRR. As expected, integration of an AFR with a chemical plant increases the IRR when “must-take” wind-generated electricity is added to the energy system. Additional dynamic system analyses are recommended to draw detailed conclusions on the feasibility and economic benefits associated with AFR-hybrid energy system operation.« less

A tensegrity model for hydrogen bond networks in proteins.

PubMed

Bywater, Robert P

2017-05-01

Hydrogen-bonding networks in proteins considered as structural tensile elements are in balance separately from any other stabilising interactions that may be in operation. The hydrogen bond arrangement in the network is reminiscent of tensegrity structures in architecture and sculpture. Tensegrity has been discussed before in cells and tissues and in proteins. In contrast to previous work only hydrogen bonds are studied here. The other interactions within proteins are either much stronger - covalent bonds connecting the atoms in the molecular skeleton or weaker forces like the so-called hydrophobic interactions. It has been demonstrated that the latter operate independently from hydrogen bonds. Each category of interaction must, if the protein is to have a stable structure, balance out. The hypothesis here is that the entire hydrogen bond network is in balance without any compensating contributions from other types of interaction. For sidechain-sidechain, sidechain-backbone and backbone-backbone hydrogen bonds in proteins, tensegrity balance ("closure") is required over the entire length of the polypeptide chain that defines individually folding units in globular proteins ("domains") as well as within the repeating elements in fibrous proteins that consist of extended chain structures. There is no closure to be found in extended structures that do not have repeating elements. This suggests an explanation as to why globular domains, as well as the repeat units in fibrous proteins, have to have a defined number of residues. Apart from networks of sidechain-sidechain hydrogen bonds there are certain key points at which this closure is achieved in the sidechain-backbone hydrogen bonds and these are associated with demarcation points at the start or end of stretches of secondary structure. Together, these three categories of hydrogen bond achieve the closure that is necessary for the stability of globular protein domains as well as repeating elements in fibrous proteins.

Measurements of atomic splittings in atomic hydrogen and the proton charge radius

NASA Astrophysics Data System (ADS)

Hessels, E. A.

2016-09-01

The proton charge radius can be determined from precise measurements of atomic hydrogen spectroscopy. A review of the relevant measurements will be given, including an update on our measurement of the n=2 Lamb shift. The values obtained from hydrogen will be compared to those obtained from muonic hydrogen and from electron-proton elastic scattering measurements. This work is funded by NSERC, CRC and CFI.

Sensors and devices containing ultra-small nanowire arrays

DOEpatents

Xiao, Zhili

2014-09-23

A network of nanowires may be used for a sensor. The nanowires are metallic, each nanowire has a thickness of at most 20 nm, and each nanowire has a width of at most 20 nm. The sensor may include nanowires comprising Pd, and the sensor may sense a change in hydrogen concentration from 0 to 100%. A device may include the hydrogen sensor, such as a vehicle, a fuel cell, a hydrogen storage tank, a facility for manufacturing steel, or a facility for refining petroleum products.

Sensors and devices containing ultra-small nanowire arrays

DOEpatents

Xiao, Zhili

2017-04-11

A network of nanowires may be used for a sensor. The nanowires are metallic, each nanowire has a thickness of at most 20 nm, and each nanowire has a width of at most 20 nm. The sensor may include nanowires comprising Pd, and the sensor may sense a change in hydrogen concentration from 0 to 100%. A device may include the hydrogen sensor, such as a vehicle, a fuel cell, a hydrogen storage tank, a facility for manufacturing steel, or a facility for refining petroleum products.

Develop Improved Materials to Support the Hydrogen Economy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dr. Michael C. Martin

The Edison Materials Technology Center (EMTEC) solicited and funded hydrogen infrastructure related projects that have a near term potential for commercialization. The subject technology of each project is related to the US Department of Energy hydrogen economy goals as outlined in the multi-year plan titled, 'Hydrogen, Fuel Cells and Infrastructure Technologies Program Multi-Year Research, Development and Demonstration Plan.' Preference was given to cross cutting materials development projects that might lead to the establishment of manufacturing capability and job creation. The Edison Materials Technology Center (EMTEC) used the US Department of Energy hydrogen economy goals to find and fund projects withmore » near term commercialization potential. An RFP process aligned with this plan required performance based objectives with go/no-go technology based milestones. Protocols established for this program consisted of a RFP solicitation process, white papers and proposals with peer technology and commercialization review (including DoE), EMTEC project negotiation and definition and DoE cost share approval. Our RFP approach specified proposals/projects for hydrogen production, hydrogen storage or hydrogen infrastructure processing which may include sensor, separator, compression, maintenance, or delivery technologies. EMTEC was especially alert for projects in the appropriate subject area that have cross cutting materials technology with near term manufacturing and commercialization opportunities.« less

Compensated amorphous silicon solar cell

DOEpatents

Devaud, Genevieve

1983-01-01

An amorphous silicon solar cell including an electrically conductive substrate, a layer of glow discharge deposited hydrogenated amorphous silicon over said substrate and having regions of differing conductivity with at least one region of intrinsic hydrogenated amorphous silicon. The layer of hydrogenated amorphous silicon has opposed first and second major surfaces where the first major surface contacts the electrically conductive substrate and an electrode for electrically contacting the second major surface. The intrinsic hydrogenated amorphous silicon region is deposited in a glow discharge with an atmosphere which includes not less than about 0.02 atom percent mono-atomic boron. An improved N.I.P. solar cell is disclosed using a BF.sub.3 doped intrinsic layer.

Promising novel therapy with hydrogen gas for emergency and critical care medicine.

PubMed

Sano, Motoaki; Suzuki, Masaru; Homma, Koichiro; Hayashida, Kei; Tamura, Tomoyoshi; Matsuoka, Tadashi; Katsumata, Yoshinori; Onuki, Shuko; Sasaki, Junichi

2018-04-01

It has been reported that hydrogen gas exerts a therapeutic effect in a wide range of disease conditions, from acute illness such as ischemia-reperfusion injury, shock, and damage healing to chronic illness such as metabolic syndrome, rheumatoid arthritis, and neurodegenerative diseases. Antioxidant and anti-inflammatory properties of hydrogen gas have been proposed, but the molecular target of hydrogen gas has not been identified. We established the Center for Molecular Hydrogen Medicine to promote non-clinical and clinical research on the medical use of hydrogen gas through industry-university collaboration and to obtain regulatory approval of hydrogen gas and hydrogen medical devices (http://www.karc.keio.ac.jp/center/center-55.html). Studies undertaken by the Center have suggested possible therapeutic effects of hydrogen gas in relation to various aspects of emergency and critical care medicine, including acute myocardial infarction, cardiopulmonary arrest syndrome, contrast-induced acute kidney injury, and hemorrhagic shock.

IEA agreement on the production and utilization of hydrogen: 2000 annual report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Elam, Carolyn C.

2001-12-01

The 2000 annual report of the IEA Hydrogen Agreement contains an overview of the agreement, including its guiding principles, latest strategic plan, and a report from the Chairman, Mr. Neil P. Rossmeissl, U.S. Department of Energy. Overviews of the National Hydrogen Programs of nine member countries are given: Canada, Japan, Lithuania, the Netherlands, Norway, Spain, Sweden, Switzerland, and the United States. Task updates are provided on the following annexes: Annex 12 - Metal Hydrides and Carbon for Hydrogen Storage, Annex 13 - Design and Optimization of Integrated Systems, Annex 14 - Photoelectrolytic Production of Hydrogen, and, Annex 15 - Photobiologicalmore » Production of Hydrogen.« less

The CH/π hydrogen bond: Implication in chemistry

NASA Astrophysics Data System (ADS)

Nishio, M.

2012-06-01

The CH/π hydrogen bond is the weakest extreme of hydrogen bonds that occurs between a soft acid CH and a soft base π-system. Implication in chemistry of the CH/π hydrogen bond includes issues of conformation, crystal packing, and specificity in host/guest complexes. The result obtained by analyzing the Cambridge Structural Database is reviewed. The peculiar axial preference of isopropyl group in α-phellandrene and folded conformation of levopimaric acid have been explained in terms of the CH/π hydrogen bond, by high-level ab initio MO calculations. Implication of the CH/π hydrogen bond in structural biology is also discussed, briefly.

Liquid fuel reforming using microwave plasma at atmospheric pressure

NASA Astrophysics Data System (ADS)

Miotk, Robert; Hrycak, Bartosz; Czylkowski, Dariusz; Dors, Miroslaw; Jasinski, Mariusz; Mizeraczyk, Jerzy

2016-06-01

Hydrogen is expected to be one of the most promising energy carriers. Due to the growing interest in hydrogen production technologies, in this paper we present the results of experimental investigations of thermal decomposition and dry reforming of two alcohols (ethanol and isopropanol) in the waveguide-supplied metal-cylinder-based nozzleless microwave (915 MHz) plasma source (MPS). The hydrogen production experiments were preceded by electrodynamics properties investigations of the used MPS and plasma spectroscopic diagnostics. All experimental tests were performed with the working gas (nitrogen or carbon dioxide) flow rate ranging from 1200 to 3900 normal litres per hour and an absorbed microwave power up to 5 kW. The alcohols were introduced into the plasma using an induction heating vaporizer. The ethanol thermal decomposition resulted in hydrogen selectivity up to 100%. The hydrogen production rate was up to 1150 NL(H2) h-1 and the energy yield was 267 NL(H2) kWh-1 of absorbed microwave energy. Due to intense soot production, the thermal decomposition process was not appropriate for isopropanol conversion. Considering the dry reforming process, using isopropanol was more efficient in hydrogen production than ethanol. The rate and energy yield of hydrogen production were up to 1116 NL(H2) h-1 and 223 NL(H2) kWh-1 of microwave energy used, respectively. However, the hydrogen selectivity was no greater than 37%. Selected results given by the experiment were compared with the results of numerical modeling.

Enhanced radiation resistant fiber optics

DOEpatents

Lyons, Peter B.; Looney, Larry D.

1993-01-01

A process for producing an optical fiber having enhanced radiation resitance is provided, the process including maintaining an optical fiber within a hydrogen-containing atmosphere for sufficient time to yield a hydrogen-permeated optical fiber having an elevated internal hydrogen concentration, and irradiating the hydrogen-permeated optical fiber at a time while the optical fiber has an elevated internal hydrogen concentration with a source of ionizing radiation. The radiation source is typically a cobalt-60 source and the fiber is pre-irradiated with a dose level up to about 1000 kilorads of radiation.

Enhanced radiation resistant fiber optics

DOEpatents

Lyons, P.B.; Looney, L.D.

1993-11-30

A process for producing an optical fiber having enhanced radiation resistance is provided, the process including maintaining an optical fiber within a hydrogen-containing atmosphere for sufficient time to yield a hydrogen-permeated optical fiber having an elevated internal hydrogen concentration, and irradiating the hydrogen-permeated optical fiber at a time while the optical fiber has an elevated internal hydrogen concentration with a source of ionizing radiation. The radiation source is typically a cobalt-60 source and the fiber is pre-irradiated with a dose level up to about 1000 kilorads of radiation. 4 figures.

Lewis Research Center battery overview

NASA Technical Reports Server (NTRS)

Odonnell, Patricia

1993-01-01

The topics covered are presented in viewgraph form and include the following: the Advanced Communications Technology Satellite; the Space Station Freedom (SSF) photovoltaic power module division; Ni/H2 battery and cell design; individual pressure vessel (IPV) nickel-hydrogen cell testing SSF support; the LeRC Electrochemical Technology Branch; improved design IPV nickel-hydrogen cells; advanced technology for IPV nickel-hydrogen flight cells; a lightweight nickel-hydrogen cell; bipolar nickel-hydrogen battery development and technology; aerospace nickel-metal hydride cells; the NASA Sodium-Sulfur Cell Technology Flight Experiment; and the lithium-carbon dioxide battery thermodynamic model.

Compound-specific isotope analysis as a tool to characterize biodegradation of ethylbenzene.

PubMed

Dorer, Conrad; Vogt, Carsten; Kleinsteuber, Sabine; Stams, Alfons J M; Richnow, Hans-Hermann

2014-08-19

This study applied one- and two-dimensional compound-specific isotope analysis (CSIA) for the elements carbon and hydrogen to assess different means of microbial ethylbenzene activation. Cultures incubated under nitrate-reducing conditions showed significant carbon and highly pronounced hydrogen isotope fractionation of comparable magnitudes, leading to nearly identical slopes in dual-isotope plots. The results imply that Georgfuchsia toluolica G5G6 and an enrichment culture dominated by an Azoarcus species activate ethylbenzene by anaerobic hydroxylation catalyzed by ethylbenzene dehydrogenase, similar to Aromatoleum aromaticum EbN1. The isotope enrichment pattern in dual plots from two strictly anaerobic enrichment cultures differed considerably from those for benzylic hydroxylation, indicating an alternative anaerobic activation step, most likely fumarate addition. Large hydrogen fractionation was quantified using a recently developed Rayleigh-based approach considering hydrogen atoms at reactive sites. Data from nine investigated microbial cultures clearly suggest that two-dimensional CSIA in combination with the magnitude of hydrogen isotope fractionation is a valuable tool to distinguish ethylbenzene degradation and may be of practical use for monitoring natural or technological remediation processes at field sites.

Production of natural antioxidants from vegetable oil deodorizer distillates: effect of catalytic hydrogenation.

PubMed

Pagani, María Ayelén; Baltanás, Miguel A

2010-02-01

Natural tocopherols are one of the main types of antioxidants found in living creatures, but they also have other critical biological functions. The biopotency of natural (+)-alpha-tocopherol (RRR) is 36% higher than that of the synthetic racemic mixture and 300% higher than the SRR stereoisomer. Vegetable oil deodorizer distillates (DD) are an excellent source of natural tocopherols. Catalytic hydrogenation of DD preconcentrates has been suggested as a feasible route for recovery of tocopherols in high yield. However, it is important to know whether the hydrogenation operation, as applied to these tocopherol-rich mixtures, is capable of preserving the chiral (RRR) character, which is critical to its biopotency. Fortified (i.e., (+)-alpha-tocopherol enriched) sunflower oil and methyl stearate, as well as sunflower oil DD, were fully hydrogenated using commercial Ni and Pd catalysts (120-180 degrees C; 20-60 psig). Products were analyzed by chiral HPLC. Results show that the desired chiral configuration (RRR) is fully retained. Thus, the hydrogenation route can be safely considered as a valid alternative for increasing the efficiency of tocopherol recovery processes from DDs while preserving their natural characteristics.

Effects of asymptomatic Giardia intestinalis infection on carbohydrate absorption in well-nourished Mexican children.

PubMed

Moya-Camarena, Silvia Y; Sotelo, Norberto; Valencia, Mauro E

2002-03-01

The aim of this study was to evaluate carbohydrate absorption in well-nourished children with asymptomatic giardiasis. Two groups were selected based on results of stool examination of 211 children attending pre-school centers in Hermosillo, Sonora, Mexico: a control group of six non-infected children, and an infected group of seven children harboring Giardia intestinalis, without gastrointestinal symptoms of disease. Carbohydrate absorption was determined in the control group, before and after drug therapy in the infected group by the hydrogen breath test. Hydrogen production after lactose ingestion was higher in children with giardiasis compared with control group and after anti-parasite treatment; however, hydrogen production was not high enough to classify children as lactose malabsorbers by the cut-off criteria. Similar results were obtained for xylose absorption. None of the children had hydrogen increments high enough to be considered xylose malabsorbers. In conclusion, children asymptomatically infected with G. intestinalis showed significantly higher hydrogen production. However, the biological relevance is questionable since they did not exceed cut-off criteria to classify them as carbohydrate malabsorbers.

Structure sensitivity in the nonscalable regime explored via catalysed ethylene hydrogenation on supported platinum nanoclusters

DOE PAGES

Crampton, Andrew S.; Rötzer, Marian D.; Ridge, Claron J.; ...

2016-01-28

The sensitivity, or insensitivity, of catalysed reactions to catalyst structure is a commonly employed fundamental concept. Here we report on the nature of nano-catalysed ethylene hydrogenation, investigated through experiments on size-selected Pt n (n=8-15) clusters soft-landed on magnesia and first-principles simulations, yielding benchmark information about the validity of structure sensitivity/insensitivity at the bottom of the catalyst size range. Both ethylene-hydrogenation-to-ethane and the parallel hydrogenation–dehydrogenation ethylidyne-producing route are considered, uncovering that at the <1 nm size-scale the reaction exhibits characteristics consistent with structure sensitivity, in contrast to structure insensitivity found for larger particles. The onset of catalysed hydrogenation occurs for Ptmore » n (n≥10) clusters at T>150 K, with maximum room temperature reactivity observed for Pt 13. Structure insensitivity, inherent for specific cluster sizes, is induced in the more active Pt 13 by a temperature increase up to 400 K leading to ethylidyne formation. As a result, control of sub-nanometre particle size may be used for tuning catalysed hydrogenation activity and selectivity.« less

Extent of hydrogen coverage of Si(001) under chemical vapor deposition conditions from ab initio approaches

NASA Astrophysics Data System (ADS)

Rosenow, Phil; Tonner, Ralf

2016-05-01

The extent of hydrogen coverage of the Si(001) c(4 × 2) surface in the presence of hydrogen gas has been studied with dispersion corrected density functional theory. Electronic energy contributions are well described using a hybrid functional. The temperature dependence of the coverage in thermodynamic equilibrium was studied computing the phonon spectrum in a supercell approach. As an approximation to these demanding computations, an interpolated phonon approach was found to give comparable accuracy. The simpler ab initio thermodynamic approach is not accurate enough for the system studied, even if corrections by the Einstein model for surface vibrations are considered. The on-set of H2 desorption from the fully hydrogenated surface is predicted to occur at temperatures around 750 K. Strong changes in hydrogen coverage are found between 1000 and 1200 K in good agreement with previous reflectance anisotropy spectroscopy experiments. These findings allow a rational choice for the surface state in the computational treatment of chemical reactions under typical metal organic vapor phase epitaxy conditions on Si(001).

Hydrogen peroxide fuels aging, inflammation, cancer metabolism and metastasis

PubMed Central

Martinez-Outschoorn, Ubaldo E; Lin, Zhao; Pavlides, Stephanos; Whitaker-Menezes, Diana; Pestell, Richard G; Howell, Anthony

2011-01-01

In 1889, Dr. Stephen Paget proposed the “seed and soil” hypothesis, which states that cancer cells (the seeds) need the proper microenvironment (the soil) for them to grow, spread and metastasize systemically. In this hypothesis, Dr. Paget rightfully recognized that the tumor microenvironment has an important role to play in cancer progression and metastasis. In this regard, a series of recent studies have elegantly shown that the production of hydrogen peroxide, by both cancer cells and cancer-associated fibroblasts, may provide the necessary “fertilizer,” by driving accelerated aging, DNA damage, inflammation and cancer metabolism, in the tumor microenvironment. By secreting hydrogen peroxide, cancer cells and fibroblasts are mimicking the behavior of immune cells (macrophages/neutrophils), driving local and systemic inflammation, via the innate immune response (NFκB). Thus, we should consider using various therapeutic strategies (such as catalase and/or other antioxidants) to neutralize the production of cancer-associated hydrogen peroxide, thereby preventing tumor-stroma co-evolution and metastasis. The implications of these findings for overcoming chemo-resistance in cancer cells are also discussed in the context of hydrogen peroxide production and cancer metabolism. PMID:21734470

Extent of hydrogen coverage of Si(001) under chemical vapor deposition conditions from ab initio approaches

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rosenow, Phil; Tonner, Ralf, E-mail: tonner@chemie.uni-marburg.de

2016-05-28

The extent of hydrogen coverage of the Si(001) c(4 × 2) surface in the presence of hydrogen gas has been studied with dispersion corrected density functional theory. Electronic energy contributions are well described using a hybrid functional. The temperature dependence of the coverage in thermodynamic equilibrium was studied computing the phonon spectrum in a supercell approach. As an approximation to these demanding computations, an interpolated phonon approach was found to give comparable accuracy. The simpler ab initio thermodynamic approach is not accurate enough for the system studied, even if corrections by the Einstein model for surface vibrations are considered. Themore » on-set of H{sub 2} desorption from the fully hydrogenated surface is predicted to occur at temperatures around 750 K. Strong changes in hydrogen coverage are found between 1000 and 1200 K in good agreement with previous reflectance anisotropy spectroscopy experiments. These findings allow a rational choice for the surface state in the computational treatment of chemical reactions under typical metal organic vapor phase epitaxy conditions on Si(001).« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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

Systems Analysis of the Hydrogen Transition with HyTrans

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leiby, Paul Newsome; Greene, David L; Bowman, David Charles

2007-01-01

The U.S. Federal government is carefully considering the merits and long-term prospects of hydrogen-fueled vehicles. NAS (1) has called for the careful application of systems analysis tools to structure the complex assessment required. Others, raising cautionary notes, question whether a consistent and plausible transition to hydrogen light-duty vehicles can identified (2) and whether that transition would, on balance, be environmentally preferred. Modeling the market transition to hydrogen-powered vehicles is an inherently complex process, encompassing hydrogen production, delivery and retailing, vehicle manufacturing, and vehicle choice and use. We describe the integration of key technological and market factors in a dynamic transitionmore » model, HyTrans. The usefulness of HyTrans and its predictions depends on three key factors: (1) the validity of the economic theories that underpin the model, (2) the authenticity with which the key processes are represented, and (3) the accuracy of specific parameter values used in the process representations. This paper summarizes the theoretical basis of HyTrans, and highlights the implications of key parameter specifications with sensitivity analysis.« less

Supported black phosphorus nanosheets as hydrogen-evolving photocatalyst achieving 5.4% energy conversion efficiency at 353 K.

PubMed

Tian, Bin; Tian, Bining; Smith, Bethany; Scott, M C; Hua, Ruinian; Lei, Qin; Tian, Yue

2018-04-11

Solar-driven water splitting using powdered catalysts is considered as the most economical means for hydrogen generation. However, four-electron-driven oxidation half-reaction showing slow kinetics, accompanying with insufficient light absorption and rapid carrier combination in photocatalysts leads to low solar-to-hydrogen energy conversion efficiency. Here, we report amorphous cobalt phosphide (Co-P)-supported black phosphorus nanosheets employed as photocatalysts can simultaneously address these issues. The nanosheets exhibit robust hydrogen evolution from pure water (pH = 6.8) without bias and hole scavengers, achieving an apparent quantum efficiency of 42.55% at 430 nm and energy conversion efficiency of over 5.4% at 353 K. This photocatalytic activity is attributed to extremely efficient utilization of solar energy (~75% of solar energy) by black phosphorus nanosheets and high-carrier separation efficiency by amorphous Co-P. The hybrid material design realizes efficient solar-to-chemical energy conversion in suspension, demonstrating the potential of black phosphorus-based materials as catalysts for solar hydrogen production.

Structure sensitivity in the nonscalable regime explored via catalysed ethylene hydrogenation on supported platinum nanoclusters

PubMed Central

Crampton, Andrew S.; Rötzer, Marian D.; Ridge, Claron J.; Schweinberger, Florian F.; Heiz, Ueli; Yoon, Bokwon; Landman, Uzi

2016-01-01

The sensitivity, or insensitivity, of catalysed reactions to catalyst structure is a commonly employed fundamental concept. Here we report on the nature of nano-catalysed ethylene hydrogenation, investigated through experiments on size-selected Ptn (n=8–15) clusters soft-landed on magnesia and first-principles simulations, yielding benchmark information about the validity of structure sensitivity/insensitivity at the bottom of the catalyst size range. Both ethylene-hydrogenation-to-ethane and the parallel hydrogenation–dehydrogenation ethylidyne-producing route are considered, uncovering that at the <1 nm size-scale the reaction exhibits characteristics consistent with structure sensitivity, in contrast to structure insensitivity found for larger particles. The onset of catalysed hydrogenation occurs for Ptn (n≥10) clusters at T>150 K, with maximum room temperature reactivity observed for Pt13. Structure insensitivity, inherent for specific cluster sizes, is induced in the more active Pt13 by a temperature increase up to 400 K leading to ethylidyne formation. Control of sub-nanometre particle size may be used for tuning catalysed hydrogenation activity and selectivity. PMID:26817713

Trapping behavior of Shockley-Read-Hall recombination centers in silicon solar cells

NASA Astrophysics Data System (ADS)

Gogolin, R.; Harder, N. P.

2013-08-01

We investigate the correlation between increased apparent carrier lifetime in photoconductance-based lifetime measurements and actually reduced recombination lifetime as measured by photoluminescence measurements. These findings are further reconfirmed by I-V curve measurements of solar cells. In particular, we show experimental results for lifetime samples and solar cells with and without hydrogen passivation. In the samples and solar cells without hydrogen passivation, we find both a stronger trapping behavior and a lower recombination lifetime. Our model provides a consistent description of the observation of both, the increased apparent lifetime from carrier trapping and the decreasing recombination lifetime. In our model, both are caused by a single physical mechanism; i.e., by Recombination-Active-Trap (RAT) states. Upon fitting the experimental lifetime data, we find that the RAT-defect parameters for the hydrogen-passivated and non-hydrogen-passivated lifetime samples and solar cells are identical except for the defect concentration: hydrogen-passivation reduced the defect density by 50% in both, the lifetime samples and solar cells. We conclude that trapping should be considered as an indication for hidden, yet potentially strongly increased, low injection recombination activity.

Do Halogen–Hydrogen Bond Donor Interactions Dominate the Favorable Contribution of Halogens to Ligand–Protein Binding?

PubMed Central

2017-01-01

Halogens are present in a significant number of drugs, contributing favorably to ligand–protein binding. Currently, the contribution of halogens, most notably chlorine and bromine, is largely attributed to halogen bonds involving favorable interactions with hydrogen bond acceptors. However, we show that halogens acting as hydrogen bond acceptors potentially make a more favorable contribution to ligand binding than halogen bonds based on quantum mechanical calculations. In addition, bioinformatics analysis of ligand–protein crystal structures shows the presence of significant numbers of such interactions. It is shown that interactions between halogens and hydrogen bond donors (HBDs) are dominated by perpendicular C–X···HBD orientations. Notably, the orientation dependence of the halogen–HBD (X–HBD) interactions is minimal over greater than 100° with favorable interaction energies ranging from −2 to −14 kcal/mol. This contrasts halogen bonds in that X–HBD interactions are substantially more favorable, being comparable to canonical hydrogen bonds, with a smaller orientation dependence, such that they make significant, favorable contributions to ligand–protein binding and, therefore, should be actively considered during rational ligand design. PMID:28657759

Nonequilibrium boundary layer at a stagnation point for a hydrogen-helium stream over ablating graphite

NASA Technical Reports Server (NTRS)

Liu, T.-M.; Davy, W. C.

1974-01-01

The nonequilibrium axisymmetric stagnation point boundary layer over an ablating graphite surface is considered. The external stream is a high temperature mixture of hydrogen and helium. Variable thermodynamic and transport properties are assumed. Lennard-Jones potential model is used to calculate the transport coefficients of each species. Although the mixture rules for viscosity of the gas mixture are used, the weighting functions are more sophisticated than those commonly employed. For the conductivity of the mixture, generalized Wassiljewa coefficients are used. Seven species with 28 dissociation/recombination reactions are considered. Hansen's model for the dissociation rate constants is employed. The recombination rate constants are obtained by invoking detailed balance principles assisted by the JANAF thermodynamic data and the Hansen-Pearson thermodynamic data for C3.

Component and System Sensitivity Considerations for Design of a Lunar ISRU Oxygen Production Plant

NASA Technical Reports Server (NTRS)

Linne, Diane L.; Gokoglu, Suleyman; Hegde, Uday G.; Balasubramaniam, Ramaswamy; Santiago-Maldonado, Edgardo

2009-01-01

Component and system sensitivities of some design parameters of ISRU system components are analyzed. The differences between terrestrial and lunar excavation are discussed, and a qualitative comparison of large and small excavators is started. The effect of excavator size on the size of the ISRU plant's regolith hoppers is presented. Optimum operating conditions of both hydrogen and carbothermal reduction reactors are explored using recently developed analytical models. Design parameters such as batch size, conversion fraction, and maximum particle size are considered for a hydrogen reduction reactor while batch size, conversion fraction, number of melt zones, and methane flow rate are considered for a carbothermal reduction reactor. For both reactor types the effect of reactor operation on system energy and regolith delivery requirements is presented.

Vapor hydrogen peroxide as alternative to dry heat microbial reduction

NASA Astrophysics Data System (ADS)

Chung, S.; Kern, R.; Koukol, R.; Barengoltz, J.; Cash, H.

2008-09-01

The Jet Propulsion Laboratory (JPL), in conjunction with the NASA Planetary Protection Officer, has selected vapor phase hydrogen peroxide (VHP) sterilization process for continued development as a NASA approved sterilization technique for spacecraft subsystems and systems. The goal was to include this technique, with an appropriate specification, in NASA Procedural Requirements 8020.12 as a low-temperature complementary technique to the dry heat sterilization process. The VHP process is widely used by the medical industry to sterilize surgical instruments and biomedical devices, but high doses of VHP may degrade the performance of flight hardware, or compromise material compatibility. The goal for this study was to determine the minimum VHP process conditions for planetary protection acceptable microbial reduction levels. Experiments were conducted by the STERIS Corporation, under contract to JPL, to evaluate the effectiveness of vapor hydrogen peroxide for the inactivation of the standard spore challenge, Geobacillus stearothermophilus. VHP process parameters were determined that provide significant reductions in spore viability while allowing survival of sufficient spores for statistically significant enumeration. In addition to the obvious process parameters of interest: hydrogen peroxide concentration, number of injection cycles, and exposure duration, the investigation also considered the possible effect on lethality of environmental parameters: temperature, absolute humidity, and material substrate. This study delineated a range of test sterilizer process conditions: VHP concentration, process duration, a process temperature range for which the worst case D-value may be imposed, a process humidity range for which the worst case D-value may be imposed, and the dependence on selected spacecraft material substrates. The derivation of D-values from the lethality data permitted conservative planetary protection recommendations.

Photocatalytic performance of Cu-doped TiO2 nanofibers treated by the hydrothermal synthesis and air-thermal treatment

NASA Astrophysics Data System (ADS)

Wu, Ming-Chung; Wu, Po-Yeh; Lin, Ting-Han; Lin, Tz-Feng

2018-02-01

Series of transition metal-doped TiO2 (metal/TiO2) is prepared by combining the hydrothermal synthesis and air-thermal treatment without any reduction process. The selected transition metal precursors, including Ag, Au, Co, Cr, Cu, Fe, Ni, Pd, Pt, Y, and Zn, were individually doped into TiO2 nanofibers to evaluate the photocatalytic degradation activity and photocatalytic hydrogen generation. Consider the photocatalytic performance of these synthesized metal/TiO2 under UV-A irradiation, copper doped TiO2 nanofibers (Cu/TiO2 NFs) was chosen for further study due to its extraordinary reactivity. Systematical studies were spread to optimize the doping concentration and the calcination condition for much higher photocatalytic activity Cu/TiO2 NFs. In the photocatalytic degradation test, 0.5 mol%-Cu/TiO2 NFs calcined at 650 °C exhibits the highest activity, which is even higher than commercial TiO2-AEROXIDE® TiO2 P25 under UV-A irradiation. The synthesized 0.5 mol%-Cu/TiO2-650 NFs also have the capability in the photocatalytic hydrogen production. The hydrogen evolution rates are 200 μmol/g·h under UV-A irradiation and 280 μmol/g·h under UV-B irradiation. The density of state calculated by CASTEP for Cu/TiO2 indicates that Cu doping contributes to the states near valence band edge and narrows the band gap. The disclosed process in this study is industrial safe, convenient and cost-effective. We further produce a significant amount of TiO2-based catalysts without any hydrogen reduction treatment.

Thermodynamic equilibrium calculations of dimethyl ether steam reforming and dimethyl ether hydrolysis

NASA Astrophysics Data System (ADS)

Semelsberger, Troy A.; Borup, Rodney L.

The production of a hydrogen-rich fuel-cell feed by dimethyl ether (DME) steam reforming was investigated using calculations of thermodynamic equilibrium as a function of steam-to-carbon ratio (0.00-4.00), temperature (100-600 °C), pressure (1-5 atm), and product species. Species considered were acetone, acetylene, carbon dioxide, carbon monoxide, dimethyl ether, ethane, ethanol, ethylene, formaldehyde, formic acid, hydrogen, isopropanol, methane, methanol, methyl-ethyl ether, n-propanol and water. Thermodynamic equilibrium calculations of DME steam reforming indicate complete conversion of dimethyl ether to hydrogen, carbon monoxide and carbon dioxide at temperatures greater than 200 °C and steam-to-carbon ratios greater than 1.25 at atmospheric pressure ( P = 1 atm). Increasing the operating pressure shifts the equilibrium toward the reactants; increasing the pressure from 1 to 5 atm decreases the conversion of dimethyl ether from 99.5 to 76.2%. The trend of thermodynamically stable products in decreasing mole fraction is methane, ethane, isopropyl alcohol, acetone, n-propanol, ethylene, ethanol, methyl-ethyl ether and methanol-formaldehyde, formic acid, and acetylene were not observed. Based on the equilibrium calculations, the optimal processing conditions for dimethyl ether steam reforming occur at a steam-to-carbon ratio of 1.50, a pressure of 1 atm, and a temperature of 200 °C. These thermodynamic equilibrium calculations show dimethyl ether processed with steam will produce hydrogen-rich fuel-cell feeds—with hydrogen concentrations exceeding 70%. The conversion of dimethyl ether via hydrolysis (considering methanol as the only product) is limited by thermodynamic equilibrium. Equilibrium conversion increases with temperature and steam-to-carbon ratio. A maximum dimethyl ether conversion of 62% is achieved at a steam-to-carbon ratio of 5.00 and a processing temperature of 600 °C.

Hydrogen Basics | NREL

Science.gov Websites

greenhouse effect. Hydrogen has very high energy for its weight, but very low energy for its volume, so new make a hydrogen economy a reality include: Fuel Cells - Improving fuel cell technology and materials needed for fuel cells. Production - Developing technology to efficiently and cost-effectively make

The application of dual fuel /JP-LH2/ for hypersonic cruise vehicles

NASA Technical Reports Server (NTRS)

Weidner, J. P.

1978-01-01

The possibility of utilizing jet fuel (JP) stored primarily in the wings of hydrogen-fueled hypersonic cruise vehicles has been evaluated and compared to the performance of all hydrogen-fueled aircraft. Parametric investigations of wing loading, thrust-to-weight ratio, payload size and vehicle size are presented. Results indicate improvements in performance for a wide range of potential payload sizes, particularly when in-flight refueling of the JP fuel is considered as a means of increasing range and mission flexibility.