Capacitive density measurement for supercritical hydrogen

Science.gov (United States)

Funke, Th; Haberstroh, Ch; Szoucsek, K.; Schott, S.; Kunze, K.

2017-12-01

A new approach for automotive hydrogen storage systems is the so-called cryo-compressed hydrogen storage (CcH2). It has a potential for increased energy densities and thus bigger hydrogen amounts onboard, which is the main attractiveness for car manufacturers such as BMW. This system has further advantages in terms of safety, refueling and cooling potential. The current filling level measurement by means of pressure and temperature measurement and subsequent density calculation faces challenges especially in terms of precision. A promising alternative is the capacitive gauge. This measuring principle can determine the filling level of the CcH2 tank with significantly smaller tolerances. The measuring principle is based on different dielectric constants of gaseous and liquid hydrogen. These differences are successfully leveraged in liquid hydrogen storage systems (LH2). The present theoretical analysis shows that the dielectric values of CcH2 in the relevant operating range are comparable to LH2, thus achieving similarly good accuracy. The present work discusses embodiments and implementations for such a sensor in the CcH2 tank.

Blood Density Is Nearly Equal to Water Density: A Validation Study of the Gravimetric Method of Measuring Intraoperative Blood Loss.

Science.gov (United States)

Vitello, Dominic J; Ripper, Richard M; Fettiplace, Michael R; Weinberg, Guy L; Vitello, Joseph M

2015-01-01

Purpose. The gravimetric method of weighing surgical sponges is used to quantify intraoperative blood loss. The dry mass minus the wet mass of the gauze equals the volume of blood lost. This method assumes that the density of blood is equivalent to water (1 gm/mL). This study's purpose was to validate the assumption that the density of blood is equivalent to water and to correlate density with hematocrit. Methods. 50 µL of whole blood was weighed from eighteen rats. A distilled water control was weighed for each blood sample. The averages of the blood and water were compared utilizing a Student's unpaired, one-tailed t-test. The masses of the blood samples and the hematocrits were compared using a linear regression. Results. The average mass of the eighteen blood samples was 0.0489 g and that of the distilled water controls was 0.0492 g. The t-test showed P = 0.2269 and R (2) = 0.03154. The hematocrit values ranged from 24% to 48%. The linear regression R (2) value was 0.1767. Conclusions. The R (2) value comparing the blood and distilled water masses suggests high correlation between the two populations. Linear regression showed the hematocrit was not proportional to the mass of the blood. The study confirmed that the measured density of blood is similar to water.

Determination of semi-empirical relationship between the manganese and hydrogen atoms ratio, physical density and concentration in an aqueous solution of manganese sulphate

Energy Technology Data Exchange (ETDEWEB)

Rodrigues Bittencourt, Guilherme, E-mail: bittencourt@ird.gov.b [Instituto de Radioprotecao e Dosimetria LNMRI/IRD/CNEN, Av. Salvador Allende, s/n Recreio dos Bandeirantes, CEP 22780-160, Rio de Janeiro, RJ (Brazil); Souza Patrao, Karla Cristina de, E-mail: karla@ird.gov.b [Instituto de Radioprotecao e Dosimetria LNMRI/IRD/CNEN, Av. Salvador Allende, s/n Recreio dos Bandeirantes, CEP 22780-160, Rio de Janeiro, RJ (Brazil); Passos Leite, Sandro, E-mail: sandro@ird.gov.b [Programa de Engenharia Nuclear/COPPE, Universidade Federal do Rio de Janeiro, Ilha do Fundao, Caixa Postal 68509, 21945-970, Rio de Janeiro, RJ (Brazil); Wagner Pereira, Walsan, E-mail: walsan@ird.gov.b [Instituto de Radioprotecao e Dosimetria LNMRI/IRD/CNEN, Av. Salvador Allende, s/n Recreio dos Bandeirantes, CEP 22780-160, Rio de Janeiro, RJ (Brazil); Simoes da Fonseca, Evaldo, E-mail: evaldo@ird.gov.b [Instituto de Radioprotecao e Dosimetria LNMRI/IRD/CNEN, Av. Salvador Allende, s/n Recreio dos Bandeirantes, CEP 22780-160, Rio de Janeiro, RJ (Brazil)

2010-12-15

The Manganese sulphate solution has been used for neutron metrology through the method of Manganese Bath. This method uses physical parameters of manganese sulphate solution to obtain its corrections. This work established a functional relationship, using the gravimetric method, between those physical parameters: density, concentration and hydrogen to manganese ratio. Comparisons were done between manganese sulphate solution concentration from the Manganese Bath system of Laboratory of Metrology of Ionising Radiation and estimated values from the functional relationship obtained, showing percentage difference of less than 0.1%. This result demonstrates the usefulness in the correlation of the physical values of the solution to the MB.

Determination of Hydrogen Density by Swift Heavy Ions.

Science.gov (United States)

Xu, Ge; Barriga-Carrasco, M D; Blazevic, A; Borovkov, B; Casas, D; Cistakov, K; Gavrilin, R; Iberler, M; Jacoby, J; Loisch, G; Morales, R; Mäder, R; Qin, S-X; Rienecker, T; Rosmej, O; Savin, S; Schönlein, A; Weyrich, K; Wiechula, J; Wieser, J; Xiao, G Q; Zhao, Y T

2017-11-17

A novel method to determine the total hydrogen density and, accordingly, a precise plasma temperature in a lowly ionized hydrogen plasma is described. The key to the method is to analyze the energy loss of swift heavy ions interacting with the respective bound and free electrons of the plasma. A slowly developing and lowly ionized hydrogen theta-pinch plasma is prepared. A Boltzmann plot of the hydrogen Balmer series and the Stark broadening of the H_{β} line preliminarily defines the plasma with a free electron density of (1.9±0.1)×10^{16}  cm^{-3} and a free electron temperature of 0.8-1.3 eV. The temperature uncertainty results in a wide hydrogen density, ranging from 2.3×10^{16} to 7.8×10^{18}  cm^{-3}. A 108 MHz pulsed beam of ^{48}Ca^{10+} with a velocity of 3.652  MeV/u is used as a probe to measure the total energy loss of the beam ions. Subtracting the calculated energy loss due to free electrons, the energy loss due to bound electrons is obtained, which linearly depends on the bound electron density. The total hydrogen density is thus determined as (1.9±0.7)×10^{17}  cm^{-3}, and the free electron temperature can be precisely derived as 1.01±0.04  eV. This method should prove useful in many studies, e.g., inertial confinement fusion or warm dense matter.

Hydrogen storage in single-walled carbon nanotubes: methods and results

International Nuclear Information System (INIS)

Poirier, E.; Chahine, R.; Tessier, A.; Cossement, D.; Lafi, L.; Bose, T.K.

2004-01-01

We present high sensitivity gravimetric and volumetric hydrogen sorption measurement systems adapted for in situ conditioning under high temperature and high vacuum. These systems, which allow for precise measurements on small samples and thorough degassing, are used for sorption measurements on carbon nanostructures. We developed one volumetric system for the pressure range 0-1 bar, and two gravimetric systems for 0-1 bar and 0-100 bars. The use of both gravimetric and volumetric methods allows for the cross-checking of the results. The accuracy of the systems has been determined from hydrogen absorption measurements on palladium. The accuracies of the 0-1 bar volumetric and gravimetric systems are about 10 μg and 20 μg respectively. The accuracy of the 0-100 bars gravimetric system is about 20 μg. Hydrogen sorption measurements on single-walled carbon nanotubes (SWNTs) and metal-incorporated- SWNTs are presented. (author)

Determinations of total residue, total oxide and density of high-level liquid waste (HLLW) by gravimetric method

International Nuclear Information System (INIS)

Li Yun; Gao Yueying; Yang Ming; Jin Liyun

1992-01-01

Gravimetric method for determination of total residue, total oxide and density of HLLW is developed. An aliquot of the original HLLW solution is piped on to the small quartz disc and put into the mini muffle furnace carefully. It is first heated to below 100 degree C (for 1.5 hours to remove the free water, and then heated to 180 degree C for 2 hours to remove the crystal water in a furnace. The total residue is weighed at room temperature. The precision is better than 3% for the determination of total residue and total oxide. An aliquot of the original HLLW solution is piped into the weighing bottle and weighed. The precision is better than 1%

Recent Advances in the Use of Sodium Borohydride as a Solid State Hydrogen Store

Directory of Open Access Journals (Sweden)

Jianfeng Mao

2015-01-01

Full Text Available The development of new practical hydrogen storage materials with high volumetric and gravimetric hydrogen densities is necessary to implement fuel cell technology for both mobile and stationary applications. NaBH4, owing to its low cost and high hydrogen density (10.6 wt%, has received extensive attention as a promising hydrogen storage medium. However, its practical use is hampered by its high thermodynamic stability and slow hydrogen exchange kinetics. Recent developments have been made in promoting H2 release and tuning the thermodynamics of the thermal decomposition of solid NaBH4. These conceptual advances offer a positive outlook for using NaBH4-based materials as viable hydrogen storage carriers for mobile applications. This review summarizes contemporary progress in this field with a focus on the fundamental dehydrogenation and rehydrogenation pathways and properties and on material design strategies towards improved kinetics and thermodynamics such as catalytic doping, nano-engineering, additive destabilization and chemical modification.

Destabilized and catalyzed borohydride for reversible hydrogen storage

Science.gov (United States)

Mohtadi, Rana F [Northville, MI; Nakamura, Kenji [Toyota, JP; Au, Ming [Martinez, GA; Zidan, Ragaiy [Alken, SC

2012-01-31

A process of forming a hydrogen storage material, including the steps of: providing a first material of the formula M(BH.sub.4).sub.X, where M is an alkali metal or an alkali earth metal, providing a second material selected from M(AlH.sub.4).sub.x, a mixture of M(AlH.sub.4).sub.x and MCl.sub.x, a mixture of MCl.sub.x and Al, a mixture of MCl.sub.x and AlH.sub.3, a mixture of MH.sub.x and Al, Al, and AlH.sub.3. The first and second materials are combined at an elevated temperature and at an elevated hydrogen pressure for a time period forming a third material having a lower hydrogen release temperature than the first material and a higher hydrogen gravimetric density than the second material.

Enhancing atom densities in solid hydrogen by isotopic substitution

International Nuclear Information System (INIS)

Collins, G.W.; Souers, P.C.; Mapoles, E.R.; Magnotta, F.

1991-01-01

Atomic hydrogen inside solid H 2 increases the energy density by 200 MegaJoules/m 3 , for each percent mole fraction stored. How many atoms can be stored in solid hydrogen? To answer this, we need to know: (1) how to produce and trap hydrogen atoms in solid hydrogen, (2) how to keep the atoms from recombining into the ground molecular state, and (3) how to measure the atom density in solid hydrogen. Each of these topics will be addressed in this paper. Hydrogen atoms can be trapped in solid hydrogen by co-condensing atoms and molecules, external irradiation of solid H 2 , or introducing a radioactive impurity inside the hydrogen lattice. Tritium, a heavy isotope of hydrogen, is easily condensed as a radioactive isotopic impurity in solid H 2 . Although tritium will probably not be used in future rockets, it provides a way of applying a large, homogenious dose to solid hydrogen. In all of the data presented here, the atoms are produced by the decay of tritium and thus knowing how many atoms are produced from the tritium decay in the solid phase is important. 6 refs., 6 figs

Carbon compound used in hydrogen storage

International Nuclear Information System (INIS)

Iturbe G, J.L.; Lopez M, B.E.

2004-01-01

In the present work it is studied the activated carbon of mineral origin for the sorption of hydrogen. The carbon decreased of particle size by means of the one alloyed mechanical. The time of mill was of 10 hours. The characterization one carries out by scanning electron microscopy and X-ray diffraction. The hydrogen sipped in the carbon material it was determined using the Thermal gravimetric method (TGA). The conditions of hydrogenation went at 10 atm of pressure and ambient temperature during 18 hours. They were also carried out absorption/desorption cycles of hydrogen in the same one system of thermal gravimetric analysis. The results showed percentages of sorption of 2% approximately in the cycles carried out in the system TGA and of 4.5% in weight of hydrogen at pressure of 10 atmospheres and ambient temperature during 18 hours. (Author)

The electrochemistry and modelling of hydrogen storage materials

International Nuclear Information System (INIS)

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

2007-01-01

Mg-based alloys are promising hydrogen storage materials because of the high gravimetric energy density of MgH 2 (7.6 wt.%). A major disadvantage, however, is its very slow desorption kinetics. It has been argued that, in contrast to the well-known rutile-structured Mg hydride, hydrided Mg-transition metal alloys have a much more open crystal structure facilitating faster hydrogen transport. In this paper, the electrochemical aspects of new Mg-Sc and Mg-Ti materials will be reviewed. Storage capacities as high as 6.5 wt.% hydrogen have been reached with very favourable discharge kinetics. A theoretical description of hydrogen storage materials has also been developed by our group. A new lattice gas model is presented and successfully applied to simulate the thermodynamic properties of various hydride-forming materials. The simulation results are expressed by parameters corresponding to several energy contributions, for example mutual atomic hydrogen interaction energies. A good fit of the lattice gas model to the experimental data is found in all cases

Hydrogen storage by functionalised Poly(ether ether ketone)

Energy Technology Data Exchange (ETDEWEB)

Pedicini, R.; Giacoppo, G.; Carbone, A.; Passalacqua, E. [CNR-ITAE, Messina (Italy). Inst. for Advanced Energy Technologies

2010-07-01

In this work a functionalised polymer was studied as potential material for hydrogen storage in solid state. A Poly(ether ether ketone) (PEEK) matrix was modified by a manganese oxide in situ formation. Here we report the functionalisation process and the preliminary results on hydrogen storage capability of the synthesised polymer. The polymer was characterized by Scanning Electron Microscopy, X-ray diffraction, Transmission Electron Microscopy and Gravimetric Hydrogen Adsorption measurements. In the functionalised PEEK, morphological changes occur as a function of oxide precursor concentration and reaction time. Promising results by gravimetric measurements were obtained with a hydrogen sorption of 0.24%wt/wt at 50 C and 60 bar, moreover, reversibility hydrogen adsorption and desorption in a wide range of both temperature and pressure was confirmed. (orig.)

The use of infrared absorption to determine density of liquid hydrogen.

Science.gov (United States)

Unland, H. D.; Timmerhaus, K. D.; Kropschot, R. H.

1972-01-01

Experimental evaluation of the use of infrared absorption for determining the density of liquid hydrogen, and discussion of the feasibility of an airborne densitometer based on this concept. The results indicate that infrared absorption of liquid hydrogen is highly sensitive to the density of hydrogen, and, under the operating limitations of the equipment and experimental techniques used, the determined values proved to be repeatable to an accuracy of 2.7%. The desiderata and limitations of an in-flight density-determining device are outlined, and some of the feasibility problems are defined.

High density hydrogen storage in nanocavities: Role of the electrostatic interaction

Energy Technology Data Exchange (ETDEWEB)

Reguera, L. [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada del IPN, Legaria 694, Mexico D.F (Mexico); Facultad de Quimica, Universidad de La Habana, La Habana (Cuba); Roque, J. [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada del IPN, Legaria 694, Mexico D.F (Mexico); Hernandez, J. [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada del IPN, Legaria 694, Mexico D.F (Mexico); Universidad de Pinar del Rio, Pinar del Rio (Cuba); Reguera, E. [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada del IPN, Legaria 694, Mexico D.F (Mexico); Instituto de Ciencia y Tecnologia de Materiales, Universidad de La Habana, La Habana (Cuba)

2010-12-15

High pressure H{sub 2} adsorption isotherms at N{sub 2} liquid temperature were recorded for the series of cubic nitroprussides, Ni{sub 1-x}Co{sub x}[Fe(CN){sub 5}NO] with x = 0, 0.5, 0.7, 1. The obtained data were interpreted according to the effective polarizing power for the metal found at the surface of the cavity. The cavity volume where the hydrogen molecules are accumulated was estimated from the amount of water molecules that are occupying that available space in the as-synthesized solids considering a water density of 1 g/cm{sup 3}. The calculated cavity volume was then used to obtain the density of H{sub 2} storage in the cavity. For the Ni-containing material the highest storage density was obtained, in a cavity volume of 448.5 A{sup 3} up to 10.4 hydrogen molecules are accumulated, for a local density of 77.6 g/L, above the density value corresponding to liquid hydrogen (71 g/L). Such high value of local density was interpreted as related to the electrostatic contribution to the adsorption potential for the hydrogen molecule within the cavity. (author)

Low Cost, High Efficiency, High Pressure Hydrogen Storage

Energy Technology Data Exchange (ETDEWEB)

Mark Leavitt

2010-03-31

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

Crustal thickness of Antarctica estimated using data from gravimetric satellites

Science.gov (United States)

Llubes, Muriel; Seoane, Lucia; Bruinsma, Sean; Rémy, Frédérique

2018-04-01

Computing a better crustal thickness model is still a necessary improvement in Antarctica. In this remote continent where almost all the bedrock is covered by the ice sheet, seismic investigations do not reach a sufficient spatial resolution for geological and geophysical purposes. Here, we present a global map of Antarctic crustal thickness computed from space gravity observations. The DIR5 gravity field model, built from GOCE and GRACE gravimetric data, is inverted with the Parker-Oldenburg iterative algorithm. The BEDMAP products are used to estimate the gravity effect of the ice and the rocky surface. Our result is compared to crustal thickness calculated from seismological studies and the CRUST1.0 and AN1 models. Although the CRUST1.0 model shows a very good agreement with ours, its spatial resolution is larger than the one we obtain with gravimetric data. Finally, we compute a model in which the crust-mantle density contrast is adjusted to fit the Moho depth from the CRUST1.0 model. In East Antarctica, the resulting density contrast clearly shows higher values than in West Antarctica.

Hydrogen incorporation in high hole density GaN:Mg

Science.gov (United States)

Zvanut, M. E.; Uprety, Y.; Dashdorj, J.; Moseley, M.; Doolittle, W. Alan

2011-03-01

We investigate hydrogen passivation in heavily doped p-type GaN using electron paramagnetic resonance (EPR) spectroscopy. Samples include both conventionally grown GaN (1019 cm-3 Mg, 1017 cm-3 holes) and films grown by metal modulation epitaxy (MME), which yielded higher Mg (1- 4 x 1020 cm-3) and hole (1- 40 x 1018 cm-3) densities than found in conventionally grown GaN. The Mg acceptor signal is monitored throughout 30 minute annealing steps in N2 :H2 (92%:7%)) and subsequently pure N2 . N2 :H2 heat treatments of the lower hole density films begin to reduce the Mg EPR intensity at 750 o C, but quench the signal in high hole density films at 600 o C. Revival of the signal by subsequent N2 annealing occurs at 800 o C for the low hole density material and 600 o C in MME GaN. The present work highlights chemical differences between heavily Mg doped and lower doped films; however, it is unclear whether the difference is due to changes in hydrogen-Mg complex formation or hydrogen diffusion. The work at UAB is supported by the NSF.

Renewable Hydrogen Carrier — Carbohydrate: Constructing the Carbon-Neutral Carbohydrate Economy

Directory of Open Access Journals (Sweden)

Y.-H. Percival Zhang

2011-01-01

Full Text Available The hydrogen economy presents an appealing energy future but its implementation must solve numerous problems ranging from low-cost sustainable production, high-density storage, costly infrastructure, to eliminating safety concern. The use of renewable carbohydrate as a high-density hydrogen carrier and energy source for hydrogen production is possible due to emerging cell-free synthetic biology technology—cell-free synthetic pathway biotransformation (SyPaB. Assembly of numerous enzymes and co-enzymes in vitro can create complicated set of biological reactions or pathways that microorganisms or catalysts cannot complete, for example, C6H10O5 (aq + 7 H2O (l à 12 H2 (g + 6 CO2 (g (PLoS One 2007, 2:e456. Thanks to 100% selectivity of enzymes, modest reaction conditions, and high-purity of generated hydrogen, carbohydrate is a promising hydrogen carrier for end users. Gravimetric density of carbohydrate is 14.8 H2 mass% if water can be recycled from proton exchange membrane fuel cells or 8.33% H2 mass% without water recycling. Renewable carbohydrate can be isolated from plant biomass or would be produced from a combination of solar electricity/hydrogen and carbon dioxide fixation mediated by high-efficiency artificial photosynthesis mediated by SyPaB. The construction of this carbon-neutral carbohydrate economy would address numerous sustainability challenges, such as electricity and hydrogen storage, CO2 fixation and long-term storage, water conservation, transportation fuel production, plus feed and food production.

First principle investigations of the physical properties of hydrogen-rich MgH2

KAUST Repository

Zarshenas, Mohammed

2013-11-28

Hydrogen being a cleaner energy carrier has increased the importance of hydrogen-containing light metal hydrides, in particular those with large gravimetric hydrogen density like magnesium hydride (MgH2). In this study, density functional and density functional perturbation theories are combined to investigate the structural, elastic, thermodynamic, electronic and optical properties of MgH2. Our structural parameters calculated with those proposed by Perdew, Burke and Ernzerof generalized gradient approximation (PBE-GGA) and Wu-Cohen GGA (WC-GGA) are in agreement with experimental measurements, however the underestimated band gap values calculated using PBE-GGA and WC-GGA were greatly improved with the GGA suggested by Engle and Vosko and the modified Becke-Johnson exchange correlation potential by Trans and Blaha. As for the thermodynamic properties the specific heat values at low temperatures were found to obey the T3 rule and at higher temperatures Dulong and Petit\\'s law. Our analysis of the optical properties of MgH2 also points to its potential application in optoelectronics. © 2013 The Royal Swedish Academy of Sciences.

First principle investigations of the physical properties of hydrogen-rich MgH2

KAUST Repository

Zarshenas, Mohammed; Ahmed, Rashid; Kanoun, Mohammed; Ul Haq, Bakhtiar; Isa, Ahmad Radzi Mat; Goumri-Said, Souraya

2013-01-01

Hydrogen being a cleaner energy carrier has increased the importance of hydrogen-containing light metal hydrides, in particular those with large gravimetric hydrogen density like magnesium hydride (MgH2). In this study, density functional and density functional perturbation theories are combined to investigate the structural, elastic, thermodynamic, electronic and optical properties of MgH2. Our structural parameters calculated with those proposed by Perdew, Burke and Ernzerof generalized gradient approximation (PBE-GGA) and Wu-Cohen GGA (WC-GGA) are in agreement with experimental measurements, however the underestimated band gap values calculated using PBE-GGA and WC-GGA were greatly improved with the GGA suggested by Engle and Vosko and the modified Becke-Johnson exchange correlation potential by Trans and Blaha. As for the thermodynamic properties the specific heat values at low temperatures were found to obey the T3 rule and at higher temperatures Dulong and Petit's law. Our analysis of the optical properties of MgH2 also points to its potential application in optoelectronics. © 2013 The Royal Swedish Academy of Sciences.

Hydrogen generation monitoring and mass gain analysis during the steam oxidation for Zircaloy using hydrogen and oxygen sensors

International Nuclear Information System (INIS)

Fukumoto, Michihisa; Hara, Motoi; Kaneko, Hiroyuki; Sakuraba, Takuya

2015-01-01

The oxidation behavior of Zircaloy-4 at high temperatures in a flowing Ar-H_2O (saturated at 323 K) mixed gas was investigated using hydrogen and oxygen sensors installed at a gas outlet, and the utility of the gas sensing methods by using both sensors was examined. The generated amount of hydrogen was determined from the hydrogen partial pressure continuously measured by the hydrogen sensor, and the resultant calculated oxygen amount that reacted with the specimen was in close agreement with the mass gain gravimetrically measured after the experiment. This result demonstrated that the hydrogen partial pressure measurement using a hydrogen sensor is an effective method for examining the steam oxidation of this metal as well as monitoring the hydrogen evolution. The advantage of this method is that the oxidation rate of the metal at any time as a differential quantity is able to be obtained, compared to the oxygen amount gravimetrically measured as an integral quantity. When the temperature was periodically changed in the range of 1173 K to 1523 K, highly accurate measurements could be carried out using this gas monitoring method, although reasonable measurements were not gravimetrically performed due to the fluctuating thermo-buoyancy during the experiment. A change of the oxidation rate was clearly detected at a monoclinic tetragonal transition temperature of ZrO_2. From the calculation of the water vapor partial pressure during the thermal equilibrium condition using the hydrogen and oxygen partial pressures, it became clear that a thermal equilibrium state is maintained when the isothermal condition is maintained, but is not when the temperature increases or decreases with time. Based on these results, it was demonstrated that the gas monitoring system using hydrogen and oxygen sensors is very useful for investigating the oxidation process of the Zircaloy in steam. (author)

Prediction of thermodynamically reversible hydrogen storage reactions utilizing Ca-M(M = Li, Na, K)-B-H systems: a first-principles study.

Science.gov (United States)

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.

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

DEFF Research Database (Denmark)

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

2008-01-01

The indirect hydrogen storage capabilities of Mg(NH3)(6)Cl-2, Ca(NH3)(6)Cl-2, Mn(NH3)(6)Cl-2, and Ni(NH3)(6)Cl-2 are investigated. All four metal ammine chlorides can be compacted to solid tablets with densities of at least 95% of the crystal density. This gives very high indirect hydrogen...

Engineering Two-Dimensional Transition Metal Dichalcogenide Catalysts for Water-Splitting Hydrogen Generation

DEFF Research Database (Denmark)

Cao, Xianyi; Tang, Yingying; Duus, Jens Øllgaard

2017-01-01

Development of advanced energy conversion and storage technologies is essential for optimizing the integration of sustainable energy resources into current-running power grid systems. As one of the key energy-storage carriers, hydrogen (H2) possesses ultrahigh gravimetric energy density, eco...... working principles of HER electrocatalysts, and main synthetic methods of 2D TMDs based materials. We then highlight some representative 2D-TMD materials used as HER electrocatalysts and conclude with the remarks and outlook of the relevant research lines....

Final Report: Metal Perhydrides for Hydrogen Storage

Energy Technology Data Exchange (ETDEWEB)

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

2011-07-26

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

Crustal thickness of Antarctica estimated using data from gravimetric satellites

Directory of Open Access Journals (Sweden)

M. Llubes

2018-04-01

Full Text Available Computing a better crustal thickness model is still a necessary improvement in Antarctica. In this remote continent where almost all the bedrock is covered by the ice sheet, seismic investigations do not reach a sufficient spatial resolution for geological and geophysical purposes. Here, we present a global map of Antarctic crustal thickness computed from space gravity observations. The DIR5 gravity field model, built from GOCE and GRACE gravimetric data, is inverted with the Parker–Oldenburg iterative algorithm. The BEDMAP products are used to estimate the gravity effect of the ice and the rocky surface. Our result is compared to crustal thickness calculated from seismological studies and the CRUST1.0 and AN1 models. Although the CRUST1.0 model shows a very good agreement with ours, its spatial resolution is larger than the one we obtain with gravimetric data. Finally, we compute a model in which the crust–mantle density contrast is adjusted to fit the Moho depth from the CRUST1.0 model. In East Antarctica, the resulting density contrast clearly shows higher values than in West Antarctica.

Hydrogen Field Test Standard: Laboratory and Field Performance

Science.gov (United States)

Pope, Jodie G.; Wright, John D.

2015-01-01

The National Institute of Standards and Technology (NIST) developed a prototype field test standard (FTS) that incorporates three test methods that could be used by state weights and measures inspectors to periodically verify the accuracy of retail hydrogen dispensers, much as gasoline dispensers are tested today. The three field test methods are: 1) gravimetric, 2) Pressure, Volume, Temperature (PVT), and 3) master meter. The FTS was tested in NIST's Transient Flow Facility with helium gas and in the field at a hydrogen dispenser location. All three methods agree within 0.57 % and 1.53 % for all test drafts of helium gas in the laboratory setting and of hydrogen gas in the field, respectively. The time required to perform six test drafts is similar for all three methods, ranging from 6 h for the gravimetric and master meter methods to 8 h for the PVT method. The laboratory tests show that 1) it is critical to wait for thermal equilibrium to achieve density measurements in the FTS that meet the desired uncertainty requirements for the PVT and master meter methods; in general, we found a wait time of 20 minutes introduces errors methods, respectively and 2) buoyancy corrections are important for the lowest uncertainty gravimetric measurements. The field tests show that sensor drift can become a largest component of uncertainty that is not present in the laboratory setting. The scale was calibrated after it was set up at the field location. Checks of the calibration throughout testing showed drift of 0.031 %. Calibration of the master meter and the pressure sensors prior to travel to the field location and upon return showed significant drifts in their calibrations; 0.14 % and up to 1.7 %, respectively. This highlights the need for better sensor selection and/or more robust sensor testing prior to putting into field service. All three test methods are capable of being successfully performed in the field and give equivalent answers if proper sensors without drift are

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

Science.gov (United States)

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

2016-02-01

Solid-state hydrogen storage using various materials is expected to provide the ultimate solution for safe and efficient on-board storage. Complex hydrides have attracted increasing attention over the past two decades due to their high gravimetric and volumetric hydrogen densities. In this account, we review studies from our lab on tailoring the thermodynamics and kinetics for hydrogen storage in complex hydrides, including metal alanates, borohydrides and amides. By changing the material composition and structure, developing feasible preparation methods, doping high-performance catalysts, optimizing multifunctional additives, creating nanostructures and understanding the interaction mechanisms with hydrogen, the operating temperatures for hydrogen storage in metal amides, alanates and borohydrides are remarkably reduced. This temperature reduction is associated with enhanced reaction kinetics and improved reversibility. The examples discussed in this review are expected to provide new inspiration for the development of complex hydrides with high hydrogen capacity and appropriate thermodynamics and kinetics for hydrogen storage. © 2015 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Uncertainty associated with assessing semen volume: are volumetric and gravimetric methods that different?

Science.gov (United States)

Woodward, Bryan; Gossen, Nicole; Meadows, Jessica; Tomlinson, Mathew

2016-12-01

The World Health Organization laboratory manual for the examination of human semen suggests that an indirect measurement of semen volume by weighing (gravimetric method) is more accurate than a direct measure using a serological pipette. A series of experiments were performed to determine the level of discrepancy between the two methods using pipettes and a balance which had been calibrated to a traceable standard. The median weights of 1.0ml and 5.0ml of semen were 1.03 g (range 1.02-1.05 g) and 5.11 g (range 4.95-5.16 g), respectively, suggesting a density for semen between 1.03g and 1.04 g/ml. When the containers were re-weighed after the removal of 5.0 ml semen using a serological pipette, the mean residual loss was 0.12 ml (120 μl) or 0.12 g (median 100 μl, range 70-300 μl). Direct comparison of the volumetric and gravimetric methods in a total of 40 samples showed a mean difference of 0.25ml (median 0.32 ± 0.67ml) representing an error of 8.5%. Residual semen left in the container by weight was on average 0.11 g (median 0.10 g, range 0.05-0.19 g). Assuming a density of 1 g/ml then the average error between volumetric and gravimetric methods was approximately 8% (p gravimetric measurement of semen volume. Laboratories may therefore prefer to provide in-house quality assurance data in order to be satisfied that 'estimating' semen volume is 'fit for purpose' as opposed to assuming a lower uncertainty associated with the WHO recommended method.

Hydrogen consumption and power density in a co-flow planar SOFC

Energy Technology Data Exchange (ETDEWEB)

Ben Moussa, Hocine; Zitouni, Bariza [Laboratoire d' etude des systemes energetiques industriels (LESEI), Universite de Batna, Batna (Algeria); Oulmi, Kafia [Laboratoire de chimie et de chimie de l' environnement, Universite de Batna, Batna (Algeria); Mahmah, Bouziane; Belhamel, Maiouf [CDER, BP. 62 Route de l' Observatoire. Bouzareah. Alger (Algeria); Mandin, Philippe [Centre de Developpement des Energies Renouvelables (CDER), LECA, UMR 7575 CNRS-ENSCP Paris 6 (France)

2009-06-15

In the present work, power density and hydrogen consumption in a co-flow planar solid oxide fuel cell (SOFC) are studied according to the inlet functional parameters; such as the operational temperature, the operational pressure, the flow rates and the mass fractions of the species. Furthermore, the effect of the cell size is investigated. The results of a zero and a one-dimensional numerical electro-dynamic model predict the remaining quantity of the fed hydrogen at the output of the anode flow channel. The remaining hydrogen quantities and the SOFC's power density obtained are discussed as a function of the inlet functional parameters, the geometrical configuration of the cell and several operating cell voltages values. (author)

Residual gravimetric method to measure nebulizer output.

Science.gov (United States)

Vecellio None, Laurent; Grimbert, Daniel; Bordenave, Joelle; Benoit, Guy; Furet, Yves; Fauroux, Brigitte; Boissinot, Eric; De Monte, Michele; Lemarié, Etienne; Diot, Patrice

2004-01-01

The aim of this study was to assess a residual gravimetric method based on weighing dry filters to measure the aerosol output of nebulizers. This residual gravimetric method was compared to assay methods based on spectrophotometric measurement of terbutaline (Bricanyl, Astra Zeneca, France), high-performance liquid chromatography (HPLC) measurement of tobramycin (Tobi, Chiron, U.S.A.), and electrochemical measurements of NaF (as defined by the European standard). Two breath-enhanced jet nebulizers, one standard jet nebulizer, and one ultrasonic nebulizer were tested. Output produced by the residual gravimetric method was calculated by weighing the filters both before and after aerosol collection and by filter drying corrected by the proportion of drug contained in total solute mass. Output produced by the electrochemical, spectrophotometric, and HPLC methods was determined after assaying the drug extraction filter. The results demonstrated a strong correlation between the residual gravimetric method (x axis) and assay methods (y axis) in terms of drug mass output (y = 1.00 x -0.02, r(2) = 0.99, n = 27). We conclude that a residual gravimetric method based on dry filters, when validated for a particular agent, is an accurate way of measuring aerosol output.

Gravimetric determination of uranium in SALE samples

International Nuclear Information System (INIS)

Anon.

1981-01-01

As a participant in the Safeguards Analytical Laboratory Evaluation (SALE) program, the Analytical Chemistry Laboratory at General Atomic routinely assays uranium dioxide and uranyl nitrate SALE samples for uranium content. Gravimetric methods are relatively easy and inexpensive to apply when the samples for uranium content. Gravimetric methods are relatively easy and inexpensive to apply when the samples are free from substantial amounts of metallic impurities. Clearly the gravimetric procedure alone is not specific for uranium and must be enhanced by the use of impurity corrections. Emission spectrography is used routinely as the technique of choice for making such corrections. In cases where it is essential to assay specifically for uranium, the modified Davies-Gray titration using a weighed titrant method is applied. In this paper some essential features of these gravimetric and titrimetric procedures are discussed

A binder-free NiCo2O4 nanosheet/3D elastic N-doped hollow carbon nanotube sponge electrode with high volumetric and gravimetric capacitances for asymmetric supercapacitors.

Science.gov (United States)

Tong, Hao; Yue, Shihong; Lu, Liang; Jin, Fengqiao; Han, Qiwei; Zhang, Xiaogang; Liu, Jie

2017-11-09

To increase the volumetric and gravimetric capacitances of supercapacitors, a new class of electrode materials with high electrochemical activity and favorable structures is extremely desired. In this work, a hollow novel nitrogen-doped 3D elastic single-walled carbon nanotube sponge (NSCS) which is ultra lightweight with the lowest density of 0.8 mg cm -3 , and has a high open surface structure for electrolyte accessibility and excellent compressible properties as the electrode scaffold has been successfully fabricated by the pyrolysis method which could produce the carbon nanotube sponge easily on a large scale without high-cost and time-consuming processes. Moreover, a NiCo 2 O 4 nanosheet supported on the NSCS has been successfully fabricated. The highest volumetric and gravimetric capacitance of this electrode is 790 F cm -3 at 1.43 g cm -3 and 1618 F g -1 at 0.54 g cm -3 with excellent cycling stability. The density of NiCo 2 O 4 /NSCS electrode was adjusted by mechanical compression and the most favorable density of the film for both high volumetric and gravimetric capacitances obtained was 1.21 g cm -3 . The thick NiCo 2 O 4 /NSCS film of 72 μm has been fabricated at this favorable density, presenting both high volumetric and gravimetric capacitances of 597 F cm -3 and 1074 F g -1 at 1 A g -1 , respectively, indicating that the structure of the NSCS is extremely feasible for obtaining a thick film electrode with excellent volumetric and gravimetric capacitances. Furthermore, an asymmetric supercapacitor of NiCo 2 O 4 /NSCS//NGN/CNTs was fabricated, exhibiting a high gravimetric energy density of 47.65 W h kg -1 at 536 W kg -1 and a volumetric energy density of 33.44 W h L -1 at 376.16 W L -1 .

Volume generation of negative ions in high density hydrogen discharges

International Nuclear Information System (INIS)

Hiskes, J.R.; Karo, A.M.

1983-01-01

A parametric survey is made of a high-density tandem two-chamber hydrogen negative ion system. The optimum extracted negative ion current densities are sensitive to the atom concentration in the discharge and to the system scale length. For scale lengths ranging from 10 cm to 0.1 cm optimum current densities range from of order 1 to 100 mA cm -2 , respectively

Alkali free hydrolysis of sodium borohydride for hydrogen generation under pressure

Energy Technology Data Exchange (ETDEWEB)

Ferreira, M.J.F.; Pinto, A.M.F.R. [Centro de Estudos de Fenomenos de Transporte, Departamento de Engenharia Quimica, Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias s/n, 4200-465 Porto (Portugal); Gales, L. [Instituto de Biologia Molecular e Celular, Universidade do Porto, Rua do Campo Alegre 823, 4150-180 Porto and Instituto de Ciencias Biomedicas Abel Salazar, Largo Prof. Abel Salazar 2, 4099-003 Porto (Portugal); Fernandes, V.R.; Rangel, C.M. [Laboratorio Nacional de Energia e Geologia - LNEG, Fuel Cells and Hydrogen Unit Estrada do Paco do Lumiar 22, 1649-038 Lisboa (Portugal)

2010-09-15

The present study is related with the production of hydrogen gas (H{sub 2}), at elevated pressures and with high gravimetric storage density, to supply a PEM fuel cell on-demand. To achieve this goal, solid sodium borohydride (NaBH{sub 4}) was mixed with a proper amount of a powder reused nickel-ruthenium based catalyst (Ni-Ru based/NaBH{sub 4}: 0.2 and 0.4 g/g; {approx}150 times reused) inside the bottom of a batch reactor. Then, a stoichiometric amount of pure liquid water (H{sub 2}O/NaBH{sub 4}: 2-8 mol/mol) was added and the catalyzed NaBH{sub 4} hydrolysis evolved, in the absence of an alkali inhibitor. In this way, this research work is designated alkali free hydrolysis of NaBH{sub 4} for H{sub 2} generation. This type of hydrolysis is excellent from an environmental point of view because it does not involve strongly caustic solutions. Experiments were performed in three batch reactors with internal volumes 646, 369 and 229 cm{sup 3}, and having different bottom geometries (flat and conical shapes). The H{sub 2} generated was a function of the added water and completion was achieved with H{sub 2}O/NaBH{sub 4} = 8 mol/mol. The results show that hydrogen yields and rates increase remarkably increasing both system temperature and pressure. Reactor bottom shape influences deeply H{sub 2} generation: the conical bottom shape greatly enhances the rate and practically eliminates the reaction induction time. Our system of compressed hydrogen generation up to 1.26 MPa shows 6.3 wt% and 70 kg m{sup -3}, respectively, for gravimetric and volumetric hydrogen storage capacities (materials-only basis) and therefore is a viable hydrogen storage candidate for portable applications. (author)

Silicon surface barrier detectors used for liquid hydrogen density measurement

Science.gov (United States)

James, D. T.; Milam, J. K.; Winslett, H. B.

1968-01-01

Multichannel system employing a radioisotope radiation source, strontium-90, radiation detector, and a silicon surface barrier detector, measures the local density of liquid hydrogen at various levels in a storage tank. The instrument contains electronic equipment for collecting the density information, and a data handling system for processing this information.

Hydrogen adsorption in new carbon materials

International Nuclear Information System (INIS)

Zubizarreta, L.; Arenillas, A.; Rubiera, F.; Pis, J.J.

2006-01-01

Hydrogen physi-sorption on porous carbon materials is one among the different technologies which could be used for hydrogen storage. In addition hydrogen spillover on a carbon supports can enhance the hydrogen adsorption capacities obtained by physi-sorption. In this study two different carbon supports were synthesised: carbon gels and carbon microspheres. Carbon microspheres were doped with Ni(NO 3 ) 2 to study the hydrogen spillover on carbon support. The texture of the materials was characterised by CO 2 adsorption at 0 C and their hydrogen storage capacity was evaluated at -196 and 10 C with a Micromeritics Tristar 3000, and at room temperature with a high pressure gravimetric analyser. (authors)

Hydrogen retention properties of co-deposition under high-density plasmas in TRIAM-1M

International Nuclear Information System (INIS)

Tokitani, M.; Miyamoto, M.; Tokunaga, K.; Fujiwara, T.; Yoshida, N.; Sakamoto, M.; Zushi, H.; Hanada, K.; TRIAM Group,; Nagata, S.; Tsuchiya, B.

2007-01-01

Retention of hydrogen in co-deposits formed under high-density plasma discharge in TRIAM-1M was studied. In order to quantify the retained hydrogen, material probe experiments were performed under the high-density (n at e ∼10 19 m -3 ) discharges. After the exposure to the plasma, the quantitative analysis of deposition, hydrogen retention, and microscopic modification of specimens were performed by means of ion beam analysis and transmission electron microscopy. The co-deposits mainly consisted of Mo. The deposition rate of Mo was about ten times higher than that of the low-density discharge case. The hydrogen concentrations (H/Mo) retained in the co-deposits were 0.06-0.17, which was much higher than that in bulk-Mo and almost equal to the low-density case. These results indicate that as long as the co-deposition layers are continuously formed, strong wall pumping in TRIAM-1M is maintained during the discharges

Modelling and Designing Cryogenic Hydrogen Tanks for Future Aircraft Applications

Directory of Open Access Journals (Sweden)

Christopher Winnefeld

2018-01-01

Full Text Available In the near future, the challenges to reduce the economic and social dependency on fossil fuels must be faced increasingly. A sustainable and efficient energy supply based on renewable energies enables large-scale applications of electro-fuels for, e.g., the transport sector. The high gravimetric energy density makes liquefied hydrogen a reasonable candidate for energy storage in a light-weight application, such as aviation. Current aircraft structures are designed to accommodate jet fuel and gas turbines allowing a limited retrofitting only. New designs, such as the blended-wing-body, enable a more flexible integration of new storage technologies and energy converters, e.g., cryogenic hydrogen tanks and fuel cells. Against this background, a tank-design model is formulated, which considers geometrical, mechanical and thermal aspects, as well as specific mission profiles while considering a power supply by a fuel cell. This design approach enables the determination of required tank mass and storage density, respectively. A new evaluation value is defined including the vented hydrogen mass throughout the flight enabling more transparent insights on mass shares. Subsequently, a systematic approach in tank partitioning leads to associated compromises regarding the tank weight. The analysis shows that cryogenic hydrogen tanks are highly competitive with kerosene tanks in terms of overall mass, which is further improved by the use of a fuel cell.

High Density Hydrogen Storage in Metal Hydride Composites with Air Cooling

OpenAIRE

Dieterich, Mila; Bürger, Inga; Linder, Marc

2015-01-01

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

The variation of interstellar element abundances with hydrogen density

International Nuclear Information System (INIS)

Keenan, F.P.; Hibbert, A.; Dufton, P.L.; Murray, M.J.

1986-01-01

The variation of the interstellar nitrogen, oxygen and magnesium abundances with mean line-of-sight hydrogen density is analysed in terms of a two-component model, which consists of warm, low-density neutral gas and cold clouds. In all cases the gas-phase abundances have been deduced using reliable oscillator strengths specifically calculated for this purpose. Depletions in the warm and cold gas, are derived from non-linear least-squares fits to the data. (author)

Carbon compound used in hydrogen storage; Compuesto de carbon utilizado en almacenamiento de hidrogeno

Energy Technology Data Exchange (ETDEWEB)

Iturbe G, J L; Lopez M, B E [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

2004-07-01

In the present work it is studied the activated carbon of mineral origin for the sorption of hydrogen. The carbon decreased of particle size by means of the one alloyed mechanical. The time of mill was of 10 hours. The characterization one carries out by scanning electron microscopy and X-ray diffraction. The hydrogen sipped in the carbon material it was determined using the Thermal gravimetric method (TGA). The conditions of hydrogenation went at 10 atm of pressure and ambient temperature during 18 hours. They were also carried out absorption/desorption cycles of hydrogen in the same one system of thermal gravimetric analysis. The results showed percentages of sorption of 2% approximately in the cycles carried out in the system TGA and of 4.5% in weight of hydrogen at pressure of 10 atmospheres and ambient temperature during 18 hours. (Author)

Hydrogen adsorption in new carbon materials

Energy Technology Data Exchange (ETDEWEB)

Zubizarreta, L.; Arenillas, A.; Rubiera, F.; Pis, J.J. [Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain)

2006-07-01

Hydrogen physi-sorption on porous carbon materials is one among the different technologies which could be used for hydrogen storage. In addition hydrogen spillover on a carbon supports can enhance the hydrogen adsorption capacities obtained by physi-sorption. In this study two different carbon supports were synthesised: carbon gels and carbon microspheres. Carbon microspheres were doped with Ni(NO{sub 3}){sub 2} to study the hydrogen spillover on carbon support. The texture of the materials was characterised by CO{sub 2} adsorption at 0 C and their hydrogen storage capacity was evaluated at -196 and 10 C with a Micromeritics Tristar 3000, and at room temperature with a high pressure gravimetric analyser. (authors)

Electric field enhanced hydrogen storage on polarizable materials substrates

Science.gov (United States)

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

2010-01-01

Using density functional theory, we show that an applied electric field can substantially improve the hydrogen storage properties of polarizable substrates. This new concept is demonstrated by adsorbing a layer of hydrogen molecules on a number of nanomaterials. When one layer of H2 molecules is adsorbed on a BN sheet, the binding energy per H2 molecule increases from 0.03 eV/H2 in the field-free case to 0.14 eV/H2 in the presence of an electric field of 0.045 a.u. The corresponding gravimetric density of 7.5 wt% is consistent with the 6 wt% system target set by Department of Energy for 2010. The strength of the electric field can be reduced if the substrate is more polarizable. For example, a hydrogen adsorption energy of 0.14 eV/H2 can be achieved by applying an electric field of 0.03 a.u. on an AlN substrate, 0.006 a.u. on a silsesquioxane molecule, and 0.007 a.u. on a silsesquioxane sheet. Thus, application of an electric field to a polarizable substrate provides a novel way to store hydrogen; once the applied electric field is removed, the stored H2 molecules can be easily released, thus making storage reversible with fast kinetics. In addition, we show that materials with rich low-coordinated nonmetal anions are highly polarizable and can serve as a guide in the design of new hydrogen storage materials. PMID:20133647

Synthesis and electrochemical properties of binary MgTi and ternary MgTiX (X=Ni, Si) hydrogen storage alloys

NARCIS (Netherlands)

Gobichettipalayam Manivasagam, T.; Iliksu, M.; Danilov, D.L.; Notten, P.H.L.

2017-01-01

Mg-based hydrogen storage alloys are promising candidate for many hydrogen storage applications because of the high gravimetric hydrogen storage capacity and favourable (de)hydrogenation kinetics. In the present study we have investigated the synthesis and electrochemical hydrogen storage properties

Density functional theory for hydrogen storage materials: successes and opportunities

International Nuclear Information System (INIS)

Hector, L G Jr; Herbst, J F

2008-01-01

Solid state systems for hydrogen storage continue to be the focus of considerable international research, driven to a large extent by technological demands, especially for mobile applications. Density functional theory (DFT) has become a valuable tool in this effort. It has greatly expanded our understanding of the properties of known hydrides, including electronic structure, hydrogen bonding character, enthalpy of formation, elastic behavior, and vibrational energetics. Moreover, DFT holds substantial promise for guiding the discovery of new materials. In this paper we discuss, within the context of results from our own work, some successes and a few shortcomings of state-of-the-art DFT as applied to hydrogen storage materials

Carbon and hydrogen isotopic effects of stomatal density in Arabidopsis thaliana

Science.gov (United States)

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.

Experimental study on uranium alloys for hydrogen storage

International Nuclear Information System (INIS)

Deaconu, M.; Meleg, T.; Dinu, A.; Mihalache, M.; Ciuca, I.; Abrudeanu, M.

2013-01-01

The heaviest isotope of hydrogen is one of critically important elements in the field of fusion reactor technology. Conventionally, uranium metal is used for the storage of heavier isotopes of hydrogen (D and T). Under appropriate conditions, uranium absorbs hydrogen to form a stable UH 3 compound when exposed to molecular hydrogen at the temperature range of 300-500 O C at varied operating pressure below one atmosphere. However, hydriding-dehydriding on pure uranium disintegrates the specimen into fine powder. The powder is highly pyrophoric and has low heat conductivity, which makes it difficult to control the temperature, and has a high possibility of contamination Due to the powdering effect as hydrogen in uranium, alloying uranium with other metal looks promising for the use of hydrogen storage materials. This paper has the aim to study the hydriding properties of uranium alloys, including U-Ti U-Mo and U-Ni. The uranium alloys specimens were prepared by melting the constituent elements by means of simultaneous measurements of thermo-gravimetric and differential thermal analyses (TGA-DTA) and studied in as cast condition as hydrogen storage materials. Then samples were thermally treated under constant flow of hydrogen, at various temperatures between 573-973 0 K. The structural and absorption properties of the products obtained were examined by thermo-gravimetric analysis (TG), X-ray diffraction (XRD) and scanning electron microscopy (SEM). They slowly reacted with hydrogen to form the ternary hydride and the hydrogenated samples mainly consisted of the pursued ternary hydride bat contained also U or UO 2 and some transient phase. (authors)

Hydrogen storage: state-of-the-art and future perspective

International Nuclear Information System (INIS)

Tzimas, E.; Filiou, C.; Peteves, S.D.; Veyret, J.B.

2003-01-01

The EU aims at establishing a sustainable energy supply, able to provide affordable and clean energy without increasing green house gas emissions. Hydrogen and fuel cells are seen by many as key energy system solutions for the 21. century, enabling clean and efficient production of power and heat from a broad range of primary energy sources. To be effective, there is a crucial need for well-coordinated research, development and deployment at European Level. The particular segment of hydrogen storage is one key element of the full hydrogen chain and it must meet a number of challenges before it is introduced into the global energy system. Regarding its energy characteristics, the gravimetric energy density of hydrogen is about three times higher than gasoline, but its energy content per volume is about a quarter. Therefore, the most significant problem for hydrogen (in particular for on-board vehicles) is to store sufficient -amounts of hydrogen. The volumetric energy density of hydrogen can be increased by compression or liquefaction which are both the most mature technologies. Still the energy required for both compression and liquefaction is one element to be properly assessed in considering the different pathways in particular for distribution. As far as on-board vehicle storage is concerned all possible options (compressed, liquid, metal hydrides and porous structures) have their own advantages and disadvantages with respect to weight, volume, energy efficiency, refuelling times, cost and safety aspects. To address these problems, long-term commitments to scientific excellence in research, coupled with co-ordination between the many different stakeholders, is required. In the current state-of-the-art in hydrogen storage, no single technology satisfies all of the criteria required by manufacturers and end-users, and a large number of obstacles have to be overcome. The current hydrogen storage technologies and their associated limitations/needs for improvement

Residual gas entering high density hydrogen plasma: rarefaction due to rapid heating

NARCIS (Netherlands)

N. den Harder,; D.C. Schram,; W. J. Goedheer,; de Blank, H. J.; M. C. M. van de Sanden,; van Rooij, G. J.

2015-01-01

The interaction of background molecular hydrogen with magnetized (0.4 T) high density (1–5 × 10 20  m −3 ) low temperature (∼3 eV) hydrogen plasma was inferred from the Fulcher band emission in the linear plasma generator Pilot-PSI. In the plasma center,

The development of a computational platform to design and simulate on-board hydrogen storage systems

DEFF Research Database (Denmark)

Mazzucco, Andrea; Rokni, Masoud

2017-01-01

A computational platform is developed in the Modelica® language within the Dymola™ environment to provide a tool for the design and performance comparison of on-board hydrogen storage systems. The platform has been coupled with an open source library for hydrogen fueling stations to investigate...... the vehicular tank within the frame of a complete refueling system. The two technologies that are integrated in the platform are solid-state hydrogen storage in the form of metal hydrides and compressed gas systems. In this work the computational platform is used to compare the storage performance of two tank...... to a storage capacity four times larger than a tube-in-tube solution of the same size. The volumetric and gravimetric densities of the shell and tube are 2.46% and 1.25% respectively. The dehydriding ability of this solution is proven to withstand intense discharging conditions....

Comparison of measured and modelled negative hydrogen ion densities at the ECR-discharge HOMER

Science.gov (United States)

Rauner, D.; Kurutz, U.; Fantz, U.

2015-04-01

As the negative hydrogen ion density nH- is a key parameter for the investigation of negative ion sources, its diagnostic quantification is essential in source development and operation as well as for fundamental research. By utilizing the photodetachment process of negative ions, generally two different diagnostic methods can be applied: via laser photodetachment, the density of negative ions is measured locally, but only relatively to the electron density. To obtain absolute densities, the electron density has to be measured additionally, which induces further uncertainties. Via cavity ring-down spectroscopy (CRDS), the absolute density of H- is measured directly, however LOS-averaged over the plasma length. At the ECR-discharge HOMER, where H- is produced in the plasma volume, laser photodetachment is applied as the standard method to measure nH-. The additional application of CRDS provides the possibility to directly obtain absolute values of nH-, thereby successfully bench-marking the laser photodetachment system as both diagnostics are in good agreement. In the investigated pressure range from 0.3 to 3 Pa, the measured negative hydrogen ion density shows a maximum at 1 to 1.5 Pa and an approximately linear response to increasing input microwave powers from 200 up to 500 W. Additionally, the volume production of negative ions is 0-dimensionally modelled by balancing H- production and destruction processes. The modelled densities are adapted to the absolute measurements of nH- via CRDS, allowing to identify collisions of H- with hydrogen atoms (associative and non-associative detachment) to be the dominant loss process of H- in the plasma volume at HOMER. Furthermore, the characteristic peak of nH- observed at 1 to 1.5 Pa is identified to be caused by a comparable behaviour of the electron density with varying pressure, as ne determines the volume production rate via dissociative electron attachment to vibrationally excited hydrogen molecules.

Application of laser fluorescence spectroscopy by two-photon excitation into atomic hydrogen density measurement in reactive plasmas

International Nuclear Information System (INIS)

Kajiwara, Toshinori; Takeda, Kazuyuki; Kim, Hee Je; Park, Won Zoo; Muraoka, Katsunori; Akazaki, Masanori; Okada, Tatsuo; Maeda, Mitsuo.

1990-01-01

Density profiles of hydrogen atoms in reactive plasmas of hydrogen and methane gases were measured, for the first time, using the laser fluorescence spectroscopy by two-photon excitation of Lyman beta transition and observation at the Balmer alpha radiation. Absolute density determinations showed atomic densities of around 3 x 10 17 m -3 , or the degree of dissociation to be 10 -4 . Densities along the axis perpendicular to the RF electrode showed peaked profiles, which were due to the balance of atomic hydrogen production by electron impact on molecules against diffusion loss to the walls. (author)

Gravimetric model of the Gastre trough, province of Chubut, Argentina; Modelo gravimetrico en la fosa de Gastre, provincia de Chubut, Argentina

Energy Technology Data Exchange (ETDEWEB)

Lince Klinger, F.; Nacif, S.; Martinez, M. P.; Gimenez, M. E.; Ruiz, F.; Alvarez, O.

2011-07-01

A gravimetric study of the Gastre trough in the Province of Chubut, to the southwest of the Canadon Asfalto basin, has allowed us to determine the geometry of its crystalline basement. Using filtering techniques we were able to map residual Bouguer anomalies, which show the heterogeneities situated within the upper crust, some of which are linked to recognised geological structures. The gravimetric minima in the residual Bouguer anomaly map are associated with graben-type basins, flanked by positive gravity values associated with alignments identified on the surface and with the overall topographic relief of the Gastre trough. After suitable treatment of the density values of the outcrops and seismic data we were able to construct a 2D density model, perpendicular to the trough, which indicated a depth of 3600 m. The importance of this study lies in the fact that it has been possible to arrive at a gravimetric characterization of the Gastre trough in the Canadon Asfalto basin sector, a potentially hydrocarbon-bearing area hitherto lacking in reliable data concerning its subsoil. (Author)

Plasma density characterization at SPARC-LAB through Stark broadening of Hydrogen spectral lines

Energy Technology Data Exchange (ETDEWEB)

Filippi, F., E-mail: francesco.filippi@roma1.infn.it [Dipartimento di Scienze di Base e Applicate per l' Ingegneria (SBAI), ‘Sapienza’ Università di Roma, Via A. Scarpa 14-16, 00161 Roma (Italy); INFN-Roma1, Piazzale Aldo Moro, 2 00161 Roma (Italy); Anania, M.P.; Bellaveglia, M.; Biagioni, A.; Chiadroni, E. [Laboratori Nazionali di Frascati, INFN, Via E. Fermi, Frascati (Italy); Cianchi, A. [Dipartimento di Fisica, Universitá di Roma Tor Vergata, Via della Ricerca Scientifica 1, 00133 Roma (Italy); Di Giovenale, D.; Di Pirro, G.; Ferrario, M. [Laboratori Nazionali di Frascati, INFN, Via E. Fermi, Frascati (Italy); Mostacci, A.; Palumbo, L. [Dipartimento di Scienze di Base e Applicate per l' Ingegneria (SBAI), ‘Sapienza’ Università di Roma, Via A. Scarpa 14-16, 00161 Roma (Italy); INFN-Roma1, Piazzale Aldo Moro, 2 00161 Roma (Italy); Pompili, R.; Shpakov, V.; Vaccarezza, C.; Villa, F. [Laboratori Nazionali di Frascati, INFN, Via E. Fermi, Frascati (Italy); Zigler, A. [Hebrew University of Jerusalem, Jerusalem 91904 (Israel)

2016-09-01

Plasma-based acceleration techniques are of great interest for future, compact accelerators due to their high accelerating gradient. Both particle-driven and laser-driven Plasma Wakefield Acceleration experiments are foreseen at the SPARC-LAB Test Facility (INFN National Laboratories of Frascati, Italy), with the aim to accelerate high-brightness electron beams. In order to optimize the efficiency of the acceleration in the plasma and preserve the quality of the accelerated beam, the knowledge of the plasma electron density is mandatory. The Stark broadening of the Hydrogen spectral lines is one of the candidates used to characterize plasma density. The implementation of this diagnostic for plasma-based experiments at SPARC-LAB is presented. - Highlights: • Stark broadening of Hydrogen lines has been measured to determine plasma density. • Plasma density diagnostic tool for plasma-based experiments at SPARC-LAB is presented. • Plasma density in tapered laser triggered ablative capillary discharge was measured. • Results of plasma density measurements in ablative capillaries are shown.

Plasma density characterization at SPARC-LAB through Stark broadening of Hydrogen spectral lines

International Nuclear Information System (INIS)

Filippi, F.; Anania, M.P.; Bellaveglia, M.; Biagioni, A.; Chiadroni, E.; Cianchi, A.; Di Giovenale, D.; Di Pirro, G.; Ferrario, M.; Mostacci, A.; Palumbo, L.; Pompili, R.; Shpakov, V.; Vaccarezza, C.; Villa, F.; Zigler, A.

2016-01-01

Plasma-based acceleration techniques are of great interest for future, compact accelerators due to their high accelerating gradient. Both particle-driven and laser-driven Plasma Wakefield Acceleration experiments are foreseen at the SPARC-LAB Test Facility (INFN National Laboratories of Frascati, Italy), with the aim to accelerate high-brightness electron beams. In order to optimize the efficiency of the acceleration in the plasma and preserve the quality of the accelerated beam, the knowledge of the plasma electron density is mandatory. The Stark broadening of the Hydrogen spectral lines is one of the candidates used to characterize plasma density. The implementation of this diagnostic for plasma-based experiments at SPARC-LAB is presented. - Highlights: • Stark broadening of Hydrogen lines has been measured to determine plasma density. • Plasma density diagnostic tool for plasma-based experiments at SPARC-LAB is presented. • Plasma density in tapered laser triggered ablative capillary discharge was measured. • Results of plasma density measurements in ablative capillaries are shown.

High density plasma productions by hydrogen storage electrode in the Tohoku University Heliac

International Nuclear Information System (INIS)

Utoh, H.; Takahashi, H.; Tanaka, Y.; Takenaga, M.; Ogawa, M.; Shinde, J.; Iwazaki, K.; Shinto, K.; Kitajima, S.; Sasao, M.; Nishimura, K.; Inagaki, S.

2005-01-01

In the Tohoku University Heliac (TU-Heliac), the influence of a radial electric field on improved modes has been investigated by an electrode biasing. In both positive and negative biasing experiments by the stainless steel (SUS) electrode (cold-electron or ion collection), the improvement of plasma confinement was clearly observed. Furthermore, by negative biasing with a hot cathode (electron injection), the radial electric fields can be actively controlled as a consequence of the control of the electrode current I E . By using the electrode made of a hydrogen storage metal, for example Titanium (Ti) or Vanadium (V), the following possibility can be expected: (1) ions accelerated from the positive biased electrode allow the simulation for the orbit loss of high-energy particles, (2) the electrons/neutral- particles injected from the negative biased electrode provide the production of the high- density plasma, if hydrogen are successfully stored in the electrode. In this present work, several methods were tried as the treatment for hydrogen storage. In the case of the Ti electrode biased positively after the treatment, the improvement of plasma confinement was observed in He plasma, which were same as the experimental results of the SUS electrode. However, in the electron density profiles inside the electrode position there was difference between the biased plasma by the Ti electrode and that by the SUS electrode. In some of Ar discharges biased negatively with the Ti electrode after the treatment, the electron density and the line intensity of H α increased about 10 times of those before biasing. This phenomenon has not been observed in the Ar plasma biased by the SUS electrode. This result suggested that the Ti electrode injected electrons/neutral-hydrogen into the plasma. This high-density plasma productions were observed only 1 ∼ 3 times in the one treatment for hydrogen storage. By using a Vanadium (V) electrode, productions of the high-density plasma

Tuning hydrogen storage in lithium-functionalized BC2N sheets by doping with boron and carbon.

Science.gov (United States)

Qiu, Nian-xiang; Zhang, Cheng-hua; Xue, Ying

2014-10-06

First-principles calculations are used to explore the strong binding of lithium to boron- and carbon-doped BC2N monolayers (BC2NBC and BC2NCN, respectively) without the formation of lithium clusters. In comparison to BC2N and BC2NCB, lithium-decorated BC2NBC and BC2NCN systems possess stronger s-p and p-p hybridization and, hence, the binding energy is higher. Lithium becomes partially positively charged by donating electron density to the more electronegative atoms of the sheet. Attractive van der Waals interactions are responsible for binding hydrogen molecules around the lithium atoms. Each lithium atom can adsorb three hydrogen molecules on both sides of the sheet, with an average hydrogen binding energy of approximately 0.2 eV, which is in the range required for practical applications. The BC2NBC-Li and BC2NCN-Li complexes can serve as high-capacity hydrogen-storage media with gravimetric hydrogen capacities of 9.88 and 9.94 wt %, respectively. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ballmilling of metal borohydrides for hydrogen storage

DEFF Research Database (Denmark)

Sommer, Sanna

2014-01-01

of the renewable energy sources [2]. Borohydrides have received great attention as energy carrier due to their high gravimetric content of hydrogen, though unfortunately they are currently not applicable for industrial use due to high thermal stability and poor recycling. The purpose of the investigation...

Comparison of measured and modelled negative hydrogen ion densities at the ECR-discharge HOMER

Energy Technology Data Exchange (ETDEWEB)

Rauner, D.; Kurutz, U.; Fantz, U. [Max-Planck-Institut für Plasmaphysik, Boltzmannstr. 2, 85748 Garching (Germany); AG Experimentelle Plasmaphysik, Universität Augsburg, 86135 Augsburg (Germany)

2015-04-08

As the negative hydrogen ion density n{sub H{sup −}} is a key parameter for the investigation of negative ion sources, its diagnostic quantification is essential in source development and operation as well as for fundamental research. By utilizing the photodetachment process of negative ions, generally two different diagnostic methods can be applied: via laser photodetachment, the density of negative ions is measured locally, but only relatively to the electron density. To obtain absolute densities, the electron density has to be measured additionally, which induces further uncertainties. Via cavity ring-down spectroscopy (CRDS), the absolute density of H{sup −} is measured directly, however LOS-averaged over the plasma length. At the ECR-discharge HOMER, where H{sup −} is produced in the plasma volume, laser photodetachment is applied as the standard method to measure n{sub H{sup −}}. The additional application of CRDS provides the possibility to directly obtain absolute values of n{sub H{sup −}}, thereby successfully bench-marking the laser photodetachment system as both diagnostics are in good agreement. In the investigated pressure range from 0.3 to 3 Pa, the measured negative hydrogen ion density shows a maximum at 1 to 1.5 Pa and an approximately linear response to increasing input microwave powers from 200 up to 500 W. Additionally, the volume production of negative ions is 0-dimensionally modelled by balancing H{sup −} production and destruction processes. The modelled densities are adapted to the absolute measurements of n{sub H{sup −}} via CRDS, allowing to identify collisions of H{sup −} with hydrogen atoms (associative and non-associative detachment) to be the dominant loss process of H{sup −} in the plasma volume at HOMER. Furthermore, the characteristic peak of n{sub H{sup −}} observed at 1 to 1.5 Pa is identified to be caused by a comparable behaviour of the electron density with varying pressure, as n{sub e} determines

Performance of various density functionals for the hydrogen bonds in DNA base pairs

NARCIS (Netherlands)

van der Wijst, T.; Fonseca Guerra, C.; Swart, M.; Bickelhaupt, F.M.

2006-01-01

We have investigated the performance of seven popular density functionals (B3LYP, BLYP, BP86, mPW, OPBE, PBE, PW91) for describing the geometry and stability of the hydrogen bonds in DNA base pairs. For the gas-phase situation, the hydrogen-bond lengths and strengths in the DNA pairs have been

Hydrogen storage properties of carbon nanomaterials and carbon containing metal hydrides

Energy Technology Data Exchange (ETDEWEB)

Maehlen, Jan Petter

2003-07-01

resulted in a rather pessimistic view concerning the possibilities to use carbon as a hydrogen storage material with high gravimetric density at ambient conditions. (Author)

Hydrogen storage properties of carbon nanomaterials and carbon containing metal hydrides

Energy Technology Data Exchange (ETDEWEB)

Maehlen, Jan Petter

2003-07-01

carbon containing alloys resulted in a rather pessimistic view concerning the possibilities to use carbon as a hydrogen storage material with high gravimetric density at ambient conditions. (Author)

Density of Resonance Neutrons in Hydrogenous Media Near the Source

Energy Technology Data Exchange (ETDEWEB)

Broda, E.

1944-07-01

This report was written by D.V. Booker, E. Broda and L. Kowarski at the Cavendish Laboratory (Cambridge) in January 1944 and is about the density of resonance neutrons in hydrogenous media near the source. Neutron-absorbing properties of a medium sometimes cannot be studied by the usual density integration technique because the amount of medium, or the intensity far from the source is insufficient. In such cases many useful deductions can be made from single-point activation measurements in a medium of known behaviour provided the differences between the scattering properties of the two media are negligible, insofar as they influence the observed activations, or can be allowed for. The relevant properties of a hydrogenous medium are discussed in this report and the activation of resonance detectors in H{sub 3}BO{sub 3} is compared to the activation in C{sub 10}H{sub 8}, used as a reference medium. (nowak)

Reduction in Recombination Current Density in Boron Doped Silicon Using Atomic Hydrogen

Science.gov (United States)

Young, Matthew Garett

The solar industry has grown immensely in recent years and has reached a point where solar energy has now become inexpensive enough that it is starting to emerge as a mainstream electrical generation source. However, recent economic analysis has suggested that for solar to become a truly wide spread source of electricity, the costs still need to plummet by a factor of 8x. This demands new and innovative concepts to help lower such cost. In pursuit of this goal, this dissertation examines the use of atomic hydrogen to lessen the recombination current density in the boron doped region of n-type silicon solar cells. This required the development of a boron diffusion process that maintained the bulk lifetime of n-type silicon such that the recombination current density could be extracted by photoconductance spectroscopy. It is demonstrated that by hydrogenating boron diffusions, the majority carrier concentration can be controlled. By using symmetrically diffused test structures with quinhydrone-methanol surface passivation the recombination current density of a hydrogenated boron profile is shown to be less than that of a standard boron profile, by as much as 30%. This is then applied to a modified industrial silicon solar cell process to demonstrate an efficiency enhancement of 0.4%.

Advanced water splitting for green hydrogen gas production through complete oxidation of starch by in vitro metabolic engineering.

Science.gov (United States)

Kim, Jae-Eung; Kim, Eui-Jin; Chen, Hui; Wu, Chang-Hao; Adams, Michael W W; Zhang, Y-H Percival

2017-11-01

Starch is a natural energy storage compound and is hypothesized to be a high-energy density chemical compound or solar fuel. In contrast to industrial hydrolysis of starch to glucose, an alternative ATP-free phosphorylation of starch was designed to generate cost-effective glucose 6-phosphate by using five thermophilic enzymes (i.e., isoamylase, alpha-glucan phosphorylase, 4-α-glucanotransferase, phosphoglucomutase, and polyphosphate glucokinase). This enzymatic phosphorolysis is energetically advantageous because the energy of α-1,4-glycosidic bonds among anhydroglucose units is conserved in the form of phosphorylated glucose. Furthermore, we demonstrated an in vitro 17-thermophilic enzyme pathway that can convert all glucose units of starch, regardless of branched and linear contents, with water to hydrogen at a theoretic yield (i.e., 12 H 2 per glucose), three times of the theoretical yield from dark microbial fermentation. The use of a biomimetic electron transport chain enabled to achieve a maximum volumetric productivity of 90.2mmol of H 2 /L/h at 20g/L starch. The complete oxidation of starch to hydrogen by this in vitro synthetic (enzymatic) biosystem suggests that starch as a natural solar fuel becomes a high-density hydrogen storage compound with a gravimetric density of more than 14% H 2 -based mass and an electricity density of more than 3000Wh/kg of starch. Copyright © 2017. Published by Elsevier Inc.

Hydrogen storage property of alkali and alkaline-earth metal atoms decorated C24 fullerene: A DFT study

Science.gov (United States)

Zhang, Yafei; Cheng, Xinlu

2018-04-01

The hydrogen storage behavior of alkali and alkaline-earth metal (AM = Li, Na, K, Mg, Ca) atoms decorated C24 fullerene was investigated by using density functional theory (DFT) study. Our results indicate that the AM atoms prefer to adsorb atop the center of tetragon of C24 fullerene with the largest binding energy than other possible adsorption sites. Moreover, the hydrogen storage gravimetric density of 24H2/6Li/C24, 24H2/6Na/C24 and 36H2/6Ca/C24 configurations reaches up to 12.7 wt%, 10.1 wt% and 12 wt%, higher than the year 2020 target from the US department of energy (DOE). Also, the average adsorption energies of H2 molecules of the 24H2/6Li/C24, 24H2/6Na/C24 and 36H2/6Ca/C24 configurations are -0.198 eV/H2, -0.164 eV/H2 and -0.138 eV/H2, locate the desirable range under the physical adsorption at near ambient conditions. These findings will have important implications on designing new hydrogen storage materials in the future.

A Comparative Analysis of Seismological and Gravimetric Crustal Thicknesses below the Andean Region with Flat Subduction of the Nazca Plate

Directory of Open Access Journals (Sweden)

Mario E. Gimenez

2009-01-01

Full Text Available A gravimetric study was carried out in a region of the Central Andean Range between 28∘ and 32∘ south latitudes and from 72∘ and 66∘ west longitudes. The seismological and gravimetrical Moho models were compared in a sector which coincides with the seismological stations of the CHARGE project. The comparison reveals discrepancies between the gravity Moho depths and those obtained from seismological investigations (CHARGE project, the latter giving deeper values than those resulting from the gravimetric inversion. These discrepancies are attenuated when the positive gravimetric effect of the Nazca plate is considered. Nonetheless, a small residuum of about 5 km remains beneath the Cuyania terrane region, to the east of the main Andean chain. This residuum could be gravimetrically justified if the existence of a high density or eclogitized portion of the lower crust is considered. This result differed from the interpretations from Project “CHARGE” which revealed that the entire inferior crust extending from the Precordillera to the occidental “Sierras Pampeanas” could be “eclogitized”. In this same sector, we calculated the effective elastic thickness (Te of the crust. These results indicated an anomalous value of Te = 30 km below the Cuyania terrane. This is further conclusive evidence of the fact that the Cuyania terrane is allochthonous, for which also geological evidences exist.

A density functional study on the adsorption of hydrogen molecule

Indian Academy of Sciences (India)

An all-electron scalar relativistic calculation on the adsorption of hydrogen molecule onto small copper clusters has been performed by using density functional theory with the generalized gradient approximation (GGA) at PW91 level. Our results reveal that after adsorption of H2 molecule, the Cu-Cu interaction is ...

Prediction of hydrogen storage on Y-decorated graphene: A density functional theory study

International Nuclear Information System (INIS)

Liu, Wenbo; Liu, Yang; Wang, Rongguo

2014-01-01

Highlight: • Rare earth metal Y has an excellent performance on hydrogen storage. • After decoration, each Y can attach six hydrogen molecules without dissociation. • The Y atoms disperse uniformly and stably on B/graphene. • The enhancement of H binding is caused by hybridization and electrostatic attraction. - Abstract: Yttrium decorated graphene has been investigated as a potential carrier for high density hydrogen storage. The adsorption energy and optimized geometry for yttrium on pristine and boron doped graphene have been studied by DFT calculations. The clustering and stability of isolated yttrium atoms on graphene has also been considered. For yttrium decorated boron doped graphene, each yttrium can attach six hydrogen molecules with average adsorption energy of −0.568 eV per hydrogen molecule and the hydrogen storage capacity of this material is 5.78 wt.%, indicating yttrium decorated boron doped graphene as a promising hydrogen storage candidate

Density functional and many-body theories of Hydrogen plasmas

International Nuclear Information System (INIS)

Perrot, F.; Dharma-Wardana, M.W.C.

1983-11-01

This work is an attempt to go beyond the standard description of hot condensed matter using the well-known ''average atom model''. The first part describes a static model using ''Density functional theory'' to calculate self-consistent coupled electron and ion density profiles of the plasma not restricted to a single average atomic sphere. In a second part, the results are used as ingredients for a many-body approach to electronic properties: the one-particle Green-function self-energy is calculated, from which shifted levels, populations and level-widths are deduced. Results for the Hydrogen plasma are reported, with emphasis on the 1s bound state

The potential of organic polymer-based hydrogen storage materials.

Science.gov (United States)

Budd, Peter M; Butler, Anna; Selbie, James; Mahmood, Khalid; McKeown, Neil B; Ghanem, Bader; Msayib, Kadhum; Book, David; Walton, Allan

2007-04-21

The challenge of storing hydrogen at high volumetric and gravimetric density for automotive applications has prompted investigations into the potential of cryo-adsorption on the internal surface area of microporous organic polymers. A range of Polymers of Intrinsic Microporosity (PIMs) has been studied, the best PIM to date (a network-PIM incorporating a triptycene subunit) taking up 2.7% H(2) by mass at 10 bar/77 K. HyperCrosslinked Polymers (HCPs) also show promising performance as H(2) storage materials, particularly at pressures >10 bar. The N(2) and H(2) adsorption behaviour at 77 K of six PIMs and a HCP are compared. Surface areas based on Langmuir plots of H(2) adsorption at high pressure are shown to provide a useful guide to hydrogen capacity, but Langmuir plots based on low pressure data underestimate the potential H(2) uptake. The micropore distribution influences the form of the H(2) isotherm, a higher concentration of ultramicropores (pore size <0.7 nm) being associated with enhanced low pressure adsorption.

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

International Nuclear Information System (INIS)

Kauder, G.W.

1973-01-01

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

Tandem Gravimetric and Volumetric Apparatus for Methane Sorption Measurements

Science.gov (United States)

Burress, Jacob; Bethea, Donald

Concerns about global climate change have driven the search for alternative fuels. Natural gas (NG, methane) is a cleaner fuel than gasoline and abundantly available due to hydraulic fracturing. One hurdle to the adoption of NG vehicles is the bulky cylindrical storage vessels needed to store the NG at high pressures (3600 psi, 250 bar). The adsorption of methane in microporous materials can store large amounts of methane at low enough pressures for the allowance of conformable, ``flat'' pressure vessels. The measurement of the amount of gas stored in sorbent materials is typically done by measuring pressure differences (volumetric, manometric) or masses (gravimetric). Volumetric instruments of the Sievert type have uncertainties that compound with each additional measurement. Therefore, the highest-pressure measurement has the largest uncertainty. Gravimetric instruments don't have that drawback, but can have issues with buoyancy corrections. An instrument will be presented with which methane adsorption measurements can be performed using both volumetric and gravimetric methods in tandem. The gravimetric method presented has no buoyancy corrections and low uncertainty. Therefore, the gravimetric measurements can be performed throughout an entire isotherm or just at the extrema to verify the results from the volumetric measurements. Results from methane sorption measurements on an activated carbon (MSC-30) and a metal-organic framework (Cu-BTC, HKUST-1, MOF-199) will be shown. New recommendations for calculations of gas uptake and uncertainty measurements will be discussed.

Zirconium determination in refractories (gravimetric method)

International Nuclear Information System (INIS)

Capiotto, N.; Narahashi, Y.; Perish, P.G.; Souza, J.R. de

1991-01-01

A gravimetric method for zirconium determination in refractories is described. X-ray fluorescence analysis is also employed in this experiment and considerations about interfering elements are presented. (M.V.M.)

Reactivity of palladium nano-particles supported in hydrogenation: role of particles surface density; Reactivite des nanoparticules de palladium supportees en hydrogenation: role de la densite surfacique de particules

Energy Technology Data Exchange (ETDEWEB)

Benkhaled, M.

2004-10-01

The objective of this work is to investigate the influence of the particle surface density on the hydrogenation of polyunsaturated compounds (buta-1,3-diene, ortho-xylene). Highly dispersed Pd/Al{sub 2}O{sub 3} ({gamma} and {delta}-Al{sub 2}O{sub 3}) catalysts were prepared from Pd(nitrite) complexes (size < 7 angstrom, controlled by TEM, HAADF, EXAFS and CO chemisorption). Increasing the particle surface density from 2240 to 12880 particles/{mu}m{sup 2} leads to a modification of the electronic properties as evidenced by CO-FTIR, XPS and XANES. By contrast, the comparison of the supports at iso-density showed no significant difference of the physico-chemical properties of the supported metal particles. In parallel, the catalytic performances in hydrogenation of butadiene and butenes are very sensitive both to the nature of the support for the same density and to the surface density for the same support. It was shown that the reactions of hydrogenation could be controlled at the same time by the electronic properties of the metal nano-particles but also by the phenomenon of hydrogen diffusion around the particles on a zone of support. In this case, the support can play the part of hydrogen tank. (author)

Hydrogenation of graphene nanoflakes and C-H bond dissociation of hydrogenated graphene nanoflakes: a density functional theory study

Institute of Scientific and Technical Information of China (English)

Sheng Tao; Hui-Ting Liu; Liu-Ming Yan; Bao-Hua Yue; Ai-Jun Li

2017-01-01

The Gibbs free energy change for the hydrogenation of graphene nanoflakes Cn (n =24,28,30 and 32) and the C-H bond dissociation energy of hydrogenated graphene nanoflakes CnHm (n =24,28,30 and 32;and m =1,2 and 3) are evaluated using density functional theory calculations.It is concluded that the graphene nanoflakes and hydrogenated graphene nanoflakes accept the ortharyne structure with peripheral carbon atoms bonded via the most triple bonds and leaving the least unpaired dangling electrons.Five-membered rings are formed at the deep bay sites attributing to the stabilization effect from the pairing of dangling electrons.The hydrogenation reactions which eliminate one unpaired dangling electron and thus decrease the overall multiplicity of the graphene nanoflakes or hydrogenated graphene nanoflakes are spontaneous with negative or near zero Gibbs free energy change.And the resulting C-H bonds are stable with bond dissociation energy in the same range as those of aromatic compounds.The other C-H bonds are not as stable attributing to the excessive unpaired dangling electrons being filled into the C-H anti-bond orbital.

Equation-of-state for fluids at high densities-hydrogen isotope measurements and thermodynamic derivations

International Nuclear Information System (INIS)

Liebenberg, D.H.; Mills, R.L.; Bronson, J.C.

1977-01-01

Hydrogen isotopes play an important role in energy technologies, in particular, the compression to high densities for initiation of controlled thermonuclear fusion energy. At high densities the properties of the compressed hydrogen isotopes depart drastically from ideal thermodynamic predictions. The measurement of accurate data including the author's own recent measurements of n-H 2 and n-D 2 in the range 75 to 300 K and 0.2 to 2.0 GPa (2 to 20 kbar) is reviewed. An equation-of-state of the Benedict type is fit to these data with a double-process least-squares computer program. The results are reviewed and compared with existing data and with a variety of theoretical work reported for fluid hydrogens. A new heuristic correlation is presented for simplicity in predicting volumes and sound velocity at high pressures. 9 figures, 1 table

Hydrogen content and density in nanocrystalline carbon films of a predominant diamond character

International Nuclear Information System (INIS)

Hoffman, A.; Heiman, A.; Akhvlediani, R.; Lakin, E.; Zolotoyabko, E.; Cyterman, C.

2003-01-01

Nanocrystalline carbon films possessing a prevailing diamond or graphite character, depending on substrate temperature, can be deposited from a methane hydrogen mixture by the direct current glow discharge plasma chemical vapor deposition method. While at a temperature of ∼880 deg. C, following the formation of a thin precursor graphitic film, diamond nucleation occurs and a nanodiamond film grows, at higher and lower deposition temperatures the films maintain their graphitic character. In this study the hydrogen content, density and nanocrystalline phase composition of films deposited at various temperatures are investigated. We aim to elucidate the role of hydrogen in nanocrystalline films with a predominant diamond character. Secondary ion mass spectroscopy revealed a considerable increase of the hydrogen concentration in the films that accompanies the growth of nanodiamond. It correlates with near edge x-ray adsorption spectroscopy measurements, that showed an appearance of spectroscopic features associated with the diamond structure, and with a substantial increase of the film density detected by x-ray reflectivity. Electron energy loss spectroscopy showed that nanocrystalline diamond films can be deposited from a CH 4 /H 2 mixture with hydrogen concentration in the 80%-95% range. For a deposition temperature of 880 deg. C, the highest diamond character of the films was found for a hydrogen concentration of 91% of H 2 . The deposition temperature plays an important role in diamond formation, strongly influencing the content of adsorbed hydrogen with an optimum at 880 deg. C. It is suggested that diamond nucleation and growth of the nanodiamond phase is driven by densification of the deposited graphitic films which results in high local compressive stresses. Nanodiamond formation is accompanied by an increase of hydrogen concentration in the films. It is suggested that hydrogen retention is critical for stabilization of nanodiamond crystallites. At lower

Zirconium determination in refractories (gravimetric method)

International Nuclear Information System (INIS)

Capiotto, N.; Narahashi, Y.; Perish, C.G.; Souza, J.R.

1991-01-01

The zirconium determination in refractories is described, consisting in two separation methods for eliminating the interferences. The formatted product is calcined at 1100 0 C and determined gravimetrically as Zr P z 07. (author)

Test Results of a Ten Cell Bipolar Nickel-hydrogen Battery

Science.gov (United States)

Cataldo, R. L.

1984-01-01

A study was initiated to design and evaluate a new design concept for nickel-hydrogen cells. This concept involved constructing a battery in a bipolar stack with cells consisting of a one plate for each nickel and hydrogen electrode. Preliminary designs at the system level of this concept promised improvements in both volumetric and gravimetric energy densities, thermal management, life extension, costs, and peak power capability over more conventional designs. Test results were most encouraging. This preprototype battery, built with less than ideal components and hardware, exceeded expectations. A total of 2000 LEO cycles at 80 percent depth of discharge were accrued. A cycle life goal of 30,000 cycles appears achievable with minor design changes. These improvements include advanced technology nickel electrodes, insulated bipolar plates and specifically designed frames to minimize shunt currents. The discharge rate capability of this design exceeds 25C. At the 10C discharge rate, 80% of the battery capacity can be withdrawn in six minutes. This data shows that the bipolar design is well suited for those applications requiring high peak power pulses.

Fivefold increase of hydrogen uptake in MOF74 through linker decorations

Science.gov (United States)

Arter, C. A.; Zuluaga, S.; Harrison, D.; Welchman, E.; Thonhauser, T.

2016-10-01

We present ab initio results for linker decorations in Mg-MOF74, i.e., attaching various metals M =Li, Na, K, Sc, Cr, Mn, Fe, Ni, Cu, Zn, Rb, Pd, Ag, and Pt near the ring of the linker, creating new strong adsorption sites and thus maximizing small-molecule uptake. We find that in most cases these decorations influence the overall form and structure of Mg-MOF74 only marginally. After the initial screening, we chose metals that bind favorably to the linker and further investigated adsorption of H2,CO2, and H2O for M =Li , Na, K, and Sc. For the case of H2 we show that up to 24 additional guest molecules can be adsorbed in the metal-organic framework (MOF) unit cell, with binding energies comparable to the original open-metal sites at the six corners of the channel. This leads to a fivefold increase of the molecule uptake in Mg-MOF74, with tremendous impact on many applications in general and hydrogen storage in particular, where the gravimetric hydrogen density increases from 1.63 to 7.28 mass % and the volumetric density increases from 15.10 to 75.50 g H2L-1 .

Gravimetric and titrimetric methods of analysis

International Nuclear Information System (INIS)

Rives, R.D.; Bruks, R.R.

1983-01-01

Gravimetric and titrimetric methods of analysis are considered. Methods of complexometric titration are mentioned, as well as methods of increasing sensitivity in titrimetry. Gravimetry and titrimetry are applied during analysis for traces of geological materials

Extreme hydrogen plasma densities achieved in a linear plasma generator

NARCIS (Netherlands)

Rooij, van G.J.; Veremiyenko, V.P.; Goedheer, W.J.; Groot, de B.; Kleyn, A.W.; Smeets, P.H.M.; Versloot, T.W.; Whyte, D.G.; Engeln, R.A.H.; Schram, D.C.; Lopes Cardozo, N.J.

2007-01-01

A magnetized hydrogen plasma beam was generated with a cascaded arc, expanding in a vacuum vessel at an axial magnetic field of up to 1.6 T. Its characteristics were measured at a distance of 4 cm from the nozzle: up to a 2 cm beam diameter, 7.5×1020 m-3 electron density, ~2 eV electron and ion

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

Science.gov (United States)

Seenithurai, Sonai; Chai, Jeng-Da

2016-01-01

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

New Transition metal assisted complex borohydrides for hydrogen storage

International Nuclear Information System (INIS)

Sesha Srinivasan; Elias Lee Stefanakos; Yogi Goswami

2006-01-01

High capacity hydrogen storage systems are indeed essential for the on-board vehicular application that leads to the pollution free environment. Apart from the various hydrogen storage systems explored in the past, complex hydrides involving light weight alkali/alkaline metals exhibits promising hydrogenation/ dehydrogenation characteristics. New transition metal assisted complex borohydrides [Zn(BH 4 ) 2 ] have been successfully synthesized by an inexpensive mechano-chemical process. These complex hydrides possesses gravimetric hydrogen storage capacity of ∼8.4 wt.% at around 120 C. We have determined the volumetric hydrogen absorption and desorption of these materials for a number of cycles. Another complex borohydride mixture LiBH 4 /MgH 2 catalyzed with ZnCl 2 has been synthesized and characterized using various analytical techniques. (authors)

Titanium-decorated graphene for high-capacity hydrogen storage studied by density functional simulations

International Nuclear Information System (INIS)

Liu Yali; Ren Ling; He Yao; Cheng Haiping

2010-01-01

We present results of density functional theory (DFT) calculations of the adsorption of hydrogen molecules on Ti-decorated graphene. Our results indicate that the binding energies of molecular hydrogen on Ti-decorated graphene can be dramatically enhanced to 0.23-0.60 eV. The hybridization of the Ti 3d orbitals with the H 2 σ and σ* orbitals plays a central role in the enhanced binding. There is also a contribution from the attractive interaction between the surface dipole and the dipole of polarized H 2 . It can be expected that Ti-decorated graphene could be considered as a potential high-capacity hydrogen storage medium.

5-fold increase of hydrogen uptake in MOF74 through linker decorations

Science.gov (United States)

Thonhauser, T.; Zuluaga, S.; Harrison, D.; Welchman, E.; Arter, C.

We present ab initio results for linker decorations in Mg-MOF74-i.e. attaching various metals  = Li, Na, K, Sc, Cr, Mn, Fe, Ni, Cu, Zn, Rb, Pd, Ag, and Pt near the ring of the linker-creating new strong adsorption sites and thus maximizing small molecule uptake. We find that in most cases these decorations influence the overall form and structure of Mg-MOF74 only marginally. After the initial screening we chose metals that bind favorably to the linker and further investigate adsorption of H2, CO2, and H2O for  = Li, Na, K, and Sc. For the case of H2 we show that up to 24 additional guest molecules can be adsorbed in the MOF unit cell, with binding energies comparable to the original open-metal sites at the six corners of the channel. This leads to a 5-fold increase of the molecule uptake in Mg-MOF74, with tremendous impact on many applications in general and hydrogen storage in particular-where the gravimetric hydrogen density increases from 1 . 63 mass% to 7 . 28 mass% and the volumetric density from 15.10 g H2 L-1 to 75.50 g H2 L-1. This work was supported by NSF Grant No. DMR-1145968.

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

Energy Technology Data Exchange (ETDEWEB)

VAJO, JOHN

2014-06-12

experiments. Overall, the combined experimental measurements and simulations indicate that hydrogen storage based on enhanced solubility in nano-confined liquids is unlikely to meet the storage densities required for practical use. Only low gravimetric capacities of < 0.5 wt% were achieved. More importantly, solvent filled scaffolds had lower volumetric capacities than corresponding empty scaffolds. Nevertheless, several of the composites measured did show significant (>~ 5x) enhanced hydrogen solubility relative to bulk solvent solubility, when the hydrogen capacity was attributed only to dissolution in the confined solvent. However, when the hydrogen capacity was compared to an empty scaffold that is known to store hydrogen by surface adsorption on the scaffold walls, including the solvent always reduced the hydrogen capacity. For the best composites, this reduction relative to an empty scaffold was ~30%; for the worst it was ~90%. The highest capacities were obtained with the largest solvent molecules and with scaffolds containing 3- dimensionally confined pore geometries. The simulations suggested that the capacity of the composites originated from hydrogen adsorption on the scaffold pore walls at sites not occupied by solvent molecules. Although liquid solvent filled the pores, not all of the adsorption sites on the pore walls were occupied due to restricted motion of the solvent molecules within the confined pore space.

Density evaluation of remotely-supplied hydrogen radicals produced via tungsten filament method for SiCl4 reduction

Science.gov (United States)

Zohra Dahmani, Fatima; Okamoto, Yuji; Tsutsumi, Daiki; Ishigaki, Takamasa; Koinuma, Hideomi; Hamzaoui, Saad; Flazi, Samir; Sumiya, Masatomo

2018-05-01

Effect of the hydrogen radical on the reduction of a silicon tetrachloride (SiCl4) source was studied. The hydrogen radicals were generated using a tungsten (W) filament in a generation chamber, and were remotely supplied to another reaction chamber. The density of the hydrogen radical was estimated from the optical transmittance of 600-nm-wavelength light through phosphate glass doped with tungsten oxide (WO3). Lifetime of the hydrogen radical seemed sufficiently long, and its density as supplied to the reaction chamber was estimated to be on the order of 1012 cm‑3. Signal intensity of the peak corresponding to SiCl4 (m/z = 170) detected by quadrupole-mass measurement was confirmed to decrease owing to the reaction with the remotely-supplied hydrogen radical. This indicates the possibility that chemically-stable SiCl4, as one of the by-products of the Siemens process, can be reduced to produce silicon.

Plasma probe characteristics in low density hydrogen pulsed plasmas

International Nuclear Information System (INIS)

Astakhov, D I; Lee, C J; Bijkerk, F; Goedheer, W J; Ivanov, V V; Krivtsun, V M; Zotovich, A I; Zyryanov, S M; Lopaev, D V

2015-01-01

Probe theories are only applicable in the regime where the probe’s perturbation of the plasma can be neglected. However, it is not always possible to know, a priori, that a particular probe theory can be successfully applied, especially in low density plasmas. This is especially difficult in the case of transient, low density plasmas. Here, we applied probe diagnostics in combination with a 2D particle-in-cell model, to an experiment with a pulsed low density hydrogen plasma. The calculations took into account the full chamber geometry, including the plasma probe as an electrode in the chamber. It was found that the simulations reproduce the time evolution of the probe IV characteristics with good accuracy. The disagreement between the simulated and probe measured plasma density is attributed to the limited applicability of probe theory to measurements of low density pulsed plasmas on a similarly short time scale as investigated here. Indeed, in the case studied here, probe measurements would lead to, either a large overestimate, or underestimate of the plasma density, depending on the chosen probe theory. In contrast, the simulations of the plasma evolution and the probe characteristics do not suffer from such strict applicability limits. These studies show that probe theory cannot be justified through probe measurements. However, limiting cases of probe theories can be used to estimate upper and lower bounds on plasma densities. These theories include and neglect orbital motion, respectively, with different collisional terms leading to intermediate estimates. (paper)

The H_6_0Si_6C_5_4 heterofullerene as high-capacity hydrogen storage medium

International Nuclear Information System (INIS)

Yong, Yongliang; Zhou, Qingxiao; Li, Xiaohong; Lv, Shijie

2016-01-01

With the great success in Si atoms doped C_6_0 fullerene and the well-established methods for synthesis of hydrogenated carbon fullerenes, this leads naturally to wonder whether Si-doped fullerenes are possible for special applications such as hydrogen storage. Here by using first-principles calculations, we design a novel high-capacity hydrogen storage material, H_6_0Si_6C_5_4 heterofullerene, and confirm its geometric stability. It is found that the H_6_0Si_6C_5_4 heterofullerene has a large HOMO-LUMO gap and a high symmetry, indicating it is high chemically stable. Further, our finite temperature simulations indicate that the H_6_0Si_6C_5_4 heterofullerene is thermally stable at 300 K. H_2 molecules would enter into the cage from the Si-hexagon ring because of lower energy barrier. Through our calculation, a maximum of 21 H_2 molecules can be stored inside the H_6_0Si_6C_5_4 cage in molecular form, leading to a gravimetric density of 11.11 wt% for 21H_2@H_6_0Si_6C_5_4 system, which suggests that the hydrogenated Si_6C_5_4 heterofullerene could be suitable as a high-capacity hydrogen storage material.

Conception of modular hydrogen storage systems for portable applications

International Nuclear Information System (INIS)

Paladini, V.; Miotti, P.; Manzoni, G.; Ozebec, J.

2003-01-01

Hydrogen, till now the most prominent candidate as a future sustainable energy carrier, yields a gravimetric energy density three times as high as liquid hydrocarbon. Furthermore it is proven to be the most environmentally friendly fuel. Unfortunately, a few components regarding storage and tank solutions have not yet reached a technology level required for broad use. Thus, we intend to propose solutions and device concepts for both devices everyday use and space applications. This contribution assesses both state of the art of storage materials and existing technologies of power generation systems for application in portable devices. The aim of this work is to define the characteristics of a modular system, being suitable for a wide range of different devices, operating on advanced metal hydrides as the active hydrogen supply component. The concept has been studied and modelled with respect to volumes, mass and power requirements of different devices. The smallest system developed is intended to run, for example, a mobile phone. Minor tuning and straightforward scale up of this power supply module should make it suitable for general applicability in any portable device. (author)

Development of hydrogen storage systems using sodium alanate

Energy Technology Data Exchange (ETDEWEB)

Lozano Martinez, Gustavo Adolfo

2010-12-06

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

Tetrahedral silsesquioxane-C2H2Ti complex for hydrogen storage

Science.gov (United States)

Konda, Ravinder; Tavhare, Priyanka; Ingale, Nilesh; Chaudhari, Ajay

2018-04-01

The interaction of molecular hydrogen with tetrahedral silsesquioxane (T4)-C2H2Ti complex has been studied using Density Functional Theory with M06-2X functional and MP2 method with 6-311++G** basis set. T4-C2H2Ti complex can absorb maximum five hydrogen molecules with the gravimetric hydrogen storage capacity of 3.4 wt %. Adsorption energy calculations show that H2 adsorption on T4-C2H2Ti complex is favorable at room temperature by both the methods. We have studied the effect of temperature and pressure on Gibbs free energy corrected adsorption energies. Molecular dynamics simulations for H2 adsorbed T4-C2H2Ti complex have also been performed at 300K and show that loosely bonded H2 molecule flies away within 1fs. Various interaction energies within the complex are studied. Stability of a complex is predicted by means of a gap between Highest Occupied Molecular Orbital (HUMO) and Lowest Unoccupied Molecular Orbital (LUMO). The H2 desorption temperature for T4-C2H2Ti complex is calculated with Van't Hoff equation and it is found to be 229K.

A Biomimetic Approach to New Adsorptive Hydrogen Storage Metal-Organic Frameworks

Energy Technology Data Exchange (ETDEWEB)

Zhou, Hongcai J [Texas A& M University

2015-08-12

In the past decades, there has been an escalation of interest in the study of MOFs due to their fascinating structures and intriguing application potentials. Their exceptionally high surface areas, uniform yet tunable pore sizes, and well-defined adsorbate-MOF interaction sites make them suitable for hydrogen storage. Various strategies to increase the hydrogen capacity of MOFs, such as constructing pore sizes comparable to hydrogen molecules, increasing surface area and pore volume, utilizing catenation, and introducing coordinatively unsaturated metal centers (UMCs) have been widely explored to increase the hydrogen uptake of the MOFs. MOFs with hydrogen uptake approaching the DOE gravimetric storage goal under reasonable pressure but cryo- temperature (typically 77 K) were achieved. However, the weak interaction between hydrogen molecules and MOFs has been the major hurdle limiting the hydrogen uptake of MOFs at ambient temperature. Along the road, we have realized both high surface area and strong interaction between framework and hydrogen are equally essential for porous materials to be practically applicable in Hydrogen storage. Increasing the isosteric heats of adsorption for hydrogen through the introduction of active centers into the framework could have great potential on rendering the framework with strong interaction toward hydrogen. Approaches on increasing the surface areas and improving hydrogen affinity by optimizing size and structure of the pores and the alignment of active centers around the pores in frameworks have been pursued, for example: (a) the introduction of coordinatively UMC (represents a metal center missing multiple ligands) with potential capability of multiple dihydrogen-binding (Kubas type, non-dissociative) per UMC, (b) the design and synthesis of proton-rich MOFs in which a + H3 binds dihydrogen just like a metal ion does, and (c) the preparation of MOFs and PPNs with well aligned internal electric fields. We believe the

Coupled cluster and density functional theory calculations of atomic hydrogen chemisorption on pyrene and coronene as model systems for graphene hydrogenation.

Science.gov (United States)

Wang, Ying; Qian, Hu-Jun; Morokuma, Keiji; Irle, Stephan

2012-07-05

Ab initio coupled cluster and density functional theory studies of atomic hydrogen addition to the central region of pyrene and coronene as molecular models for graphene hydrogenation were performed. Fully relaxed potential energy curves (PECs) were computed at the spin-unrestricted B3LYP/cc-pVDZ level of theory for the atomic hydrogen attack of a center carbon atom (site A), the midpoint of a neighboring carbon bond (site B), and the center of a central hexagon (site C). Using the B3LYP/cc-pVDZ PEC geometries, we evaluated energies at the PBE density functional, as well as ab initio restricted open-shell ROMP2, ROCCSD, and ROCCSD(T) levels of theory, employing cc-pVDZ and cc-pVTZ basis sets, and performed a G2MS extrapolation to the ROCCSD(T)/cc-pVTZ level of theory. In agreement with earlier studies, we find that only site A attack leads to chemisorption. The G2MS entrance channel barrier heights, binding energies, and PEC profiles are found to agree well with a recent ab initio multireference wave function theory study (Bonfanti et al. J. Chem. Phys.2011, 135, 164701), indicating that single-reference open-shell methods including B3LYP are sufficient for the theoretical treatment of the interaction of graphene with a single hydrogen atom.

The hydrogen bond in ice probed by soft x-ray spectroscopy and density functional theory

International Nuclear Information System (INIS)

Nilsson, A.; Ogasawara, H.; Cavalleri, M.; Nordlund, D.; Nyberg, M.; Wernet, Ph.; Pettersson, L.G.M.

2005-01-01

We combine photoelectron and x-ray absorption spectroscopy with density functional theory to derive a molecular orbital picture of the hydrogen bond in ice. We find that the hydrogen bond involves donation and back-donation of charge between the oxygen lone pair and the O-H antibonding orbitals on neighboring molecules. Together with internal s-p rehybridization this minimizes the repulsive charge overlap of the connecting oxygen and hydrogen atoms, which is essential for a strong attractive electrostatic interaction. Our joint experimental and theoretical results demonstrate that an electrostatic model based on only charge induction from the surrounding medium fails to properly describe the internal charge redistributions upon hydrogen bonding

Absolute atomic hydrogen density distribution in a hollow cathode discharge by two-photon polarization spectroscopy

International Nuclear Information System (INIS)

Gonzalo, A B; Rosa, M I de la; Perez, C; Mar, S; Gruetzmacher, K

2004-01-01

We report on quantitative measurements of ground-state atomic hydrogen densities in a stationary plasma far off thermodynamic equilibrium, generated in a hollow cathode discharge, by two-photon polarization spectroscopy via the 1S-2S transition. Absolute densities are obtained using a well established calibration method based on the non-resonant two-photon polarization signal of xenon gas at room temperature, which serves as the reference at the wavelength of the hydrogen transition. This study is dedicated to demonstrating the capability of two-photon polarization spectroscopy close to the detection limit. Therefore, it requires single-longitudinal mode UV-laser radiation provided by an advanced UV-laser spectrometer

Gravimetric gas determinations for volume calibration

International Nuclear Information System (INIS)

Gibbs, P.W.

1991-01-01

Gravimetric measurements of gases is one of the methods available for calibrating gas volumes. By inputting a known quantity of gas and measuring the resulting pressure and temperature, the system volume can be calculated using gas law principles. Historically, this method has been less accurate due to the difficulty in the mass determination. This difficulty comes from several sources. Two examples are the large tare weight of the gas container relative to the weight of gas and the external volume of the gas container relative to the standards. The application of a gravimetric gas determination to tank volume calibrations at the savannah River Site is discussed. Mass determinations on a 25,00 gram gas container were such that a 1500 gram quantity of gas was routinely determined to within ±0.2 gram at the 99% confidence level. In this paper the weighting design and the methods used to address the difficulties of the mass determination are detailed

Recent Progress and New Perspectives on Metal Amide and Imide Systems for Solid-State Hydrogen Storage

Directory of Open Access Journals (Sweden)

Sebastiano Garroni

2018-04-01

Full Text Available Hydrogen storage in the solid state represents one of the most attractive and challenging ways to supply hydrogen to a proton exchange membrane (PEM fuel cell. Although in the last 15 years a large variety of material systems have been identified as possible candidates for storing hydrogen, further efforts have to be made in the development of systems which meet the strict targets of the Fuel Cells and Hydrogen Joint Undertaking (FCH JU and U.S. Department of Energy (DOE. Recent projections indicate that a system possessing: (i an ideal enthalpy in the range of 20–50 kJ/mol H2, to use the heat produced by PEM fuel cell for providing the energy necessary for desorption; (ii a gravimetric hydrogen density of 5 wt. % H2 and (iii fast sorption kinetics below 110 °C is strongly recommended. Among the known hydrogen storage materials, amide and imide-based mixtures represent the most promising class of compounds for on-board applications; however, some barriers still have to be overcome before considering this class of material mature for real applications. In this review, the most relevant progresses made in the recent years as well as the kinetic and thermodynamic properties, experimentally measured for the most promising systems, are reported and properly discussed.

Model Insensitive and Calibration Independent Method for Determination of the Downstream Neutral Hydrogen Density Through Ly-alpha Glow Observations

Science.gov (United States)

Gangopadhyay, P.; Judge, D. L.

1996-01-01

Our knowledge of the various heliospheric phenomena (location of the solar wind termination shock, heliopause configuration and very local interstellar medium parameters) is limited by uncertainties in the available heliospheric plasma models and by calibration uncertainties in the observing instruments. There is, thus, a strong motivation to develop model insensitive and calibration independent methods to reduce the uncertainties in the relevant heliospheric parameters. We have developed such a method to constrain the downstream neutral hydrogen density inside the heliospheric tail. In our approach we have taken advantage of the relative insensitivity of the downstream neutral hydrogen density profile to the specific plasma model adopted. We have also used the fact that the presence of an asymmetric neutral hydrogen cavity surrounding the sun, characteristic of all neutral densities models, results in a higher multiple scattering contribution to the observed glow in the downstream region than in the upstream region. This allows us to approximate the actual density profile with one which is spatially uniform for the purpose of calculating the downstream backscattered glow. Using different spatially constant density profiles, radiative transfer calculations are performed, and the radial dependence of the predicted glow is compared with the observed I/R dependence of Pioneer 10 UV data. Such a comparison bounds the large distance heliospheric neutral hydrogen density in the downstream direction to a value between 0.05 and 0.1/cc.

Computational investigation of hydrogen storage on B5V3

Science.gov (United States)

Guo, Chen; Wang, Chong

2018-05-01

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

Comparison of Potentiometric and Gravimetric Methods for Determination of O/U Ratio

International Nuclear Information System (INIS)

Farida; Windaryati, L; Putro Kasino, P

1998-01-01

Comparison of determination O/U ratio by using potentiometric and gravimetric methods has been done. Those methods are simple, economical and having high precision and accuracy. Determination O/U ratio for UO 2 powder using potentiometric is carried out by adopting the davies-gray method. This technique is based on the redox reaction of uranium species such as U(IV) and U(VI). In gravimetric method,the UO 2 power as a sample is calcined at temperature of 900 C, and the weight of the sample is measured after calcination process. The t-student test show that there are no different result significantly between those methods. However, for low concentration in the sample the potentiometric method has a highed precision and accuracy compare to the gravimetric method. O/U ratio obtained is 2.00768 ± 0,00170 for potentiometric method 2.01089 ± 0,02395 for gravimetric method

Diffusion of hydrogen into and through γ-iron by density functional theory

Science.gov (United States)

Chohan, Urslaan K.; Koehler, Sven P. K.; Jimenez-Melero, Enrique

2018-06-01

This study is concerned with the early stages of hydrogen embrittlement on an atomistic scale. We employed density functional theory to investigate hydrogen diffusion through the (100), (110) and (111) surfaces of γ-Fe. The preferred adsorption sites and respective energies for hydrogen adsorption were established for each plane, as well as a minimum energy pathway for diffusion. The H atoms adsorb on the (100), (110) and (111) surfaces with energies of ∼4.06 eV, ∼3.92 eV and ∼4.05 eV, respectively. The barriers for bulk-like diffusion for the (100), (110) and (111) surfaces are ∼0.6 eV, ∼0.5 eV and ∼0.7 eV, respectively. We compared these calculated barriers with previously obtained experimental data in an Arrhenius plot, which indicates good agreement between experimentally measured and theoretically predicted activation energies. Texturing austenitic steels such that the (111) surfaces of grains are preferentially exposed at the cleavage planes may be a possibility to reduce hydrogen embrittlement.

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

Energy Technology Data Exchange (ETDEWEB)

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

2008-08-24

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

Synthesis of the Mg Al alloy, their characterization and use for storing hydrogen

International Nuclear Information System (INIS)

Sampayo P, A.; Iturbe G, J. L.; Lopez M, B. E.; Sandoval J, A.

2008-01-01

This paper presents the synthesis and characterization of the MgAI intermetallic in two Mg25AI and Mg50AI stoichiometric relationships and its possible use for storing hydrogen. The intermetallic was prepared by thermal induction and argon atmosphere. The slug obtained was subjected to heat treatment for homogenization at 300 C during 72 hours. It decreased the particle size with a Spex mill high-energy type built at the National Institute of Nuclear Research, the milling time was 30 to 60 minutes. The material was characterized by scanning electron microscopy and X- ray diffraction tests were carried out hydrogenation in a micro-reactor by varying pressure, temperature and reaction time. The material was analyzed by thermal gravimetric system before and after the hydrogenation process. The results indicate that the intermetallic phase gamma through the milling process does not change with the times used for this purpose were obtained particle sizes smaller than a micron, as demonstrated by the analysis of scanning electron microscopy. X-ray diffraction it was found that there is no phase change in the structure of intermetallic with times of up to one hour of milling. Regarding the amount of hydrogen absorbed in this material with the experimental conditions made especially pressure and temperature, the first results reported 3% hydrogen around, these results were obtained by thermal gravimetric system. (Author)

Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

Energy Technology Data Exchange (ETDEWEB)

Tachikawa, Hiroto, E-mail: hiroto@eng.hokudai.ac.jp

2017-02-28

Highlights: • The reaction pathway of the hydrogen addition to graphene surface was determined by the DFT method. • Binding energies of atomic hydrogen to graphene surface were determined. • Absorption spectrum of hydrogenated graphene was theoretically predicted. • Hyperfine coupling constant of hydrogenated graphene was theoretically predicted. - Abstract: Polycyclic aromatic hydrocarbons (PAHs) provide a 2-dimensional (2D) reaction surface in 3-dimensional (3D) interstellar space and have been utilized as a model of graphene surfaces. In the present study, the reaction of PAHs with atomic hydrogen was investigated by means of density functional theory (DFT) to systematically elucidate the binding nature of atomic hydrogen to graphene nanoflakes. PAHs with n = 4–37 were chosen, where n indicates the number of benzene rings. Activation energies of hydrogen addition to the graphene surface were calculated to be 5.2–7.0 kcal/mol at the CAM-B3LYP/6-311G(d,p) level, which is almost constant for all PAHs. The binding energies of hydrogen atom were slightly dependent on the size (n): 14.8–28.5 kcal/mol. The absorption spectra showed that a long tail is generated at the low-energy region after hydrogen addition to the graphene surface. The electronic states of hydrogenated graphenes were discussed on the basis of theoretical results.

Effect of hydrogen addition on burning rate and surface density of turbulent lean premixed methane-air flames

International Nuclear Information System (INIS)

Guo, H.; Tayebi, B.; Galizzi, C.; Escudie, D.

2009-01-01

Hydrogen (H 2 ) is a clean burning component, but relatively expensive. Mixing a small amount of hydrogen with other fuels is an effective way to use H 2 . H 2 enriched combustion significantly improves fuel efficiency and reduces pollutant (nitrogen oxide and particulate matter) emissions. This presentation discussed the effect of hydrogen addition on burning rate and surface density of turbulent lean premixed methane-air flames. The presentation discussed flame configuration; the experimental methodology using laser tomography; and results for typical images, burning velocity, ratio of turbulent to laminar burning velocities, flame surface density, curvature, flame brush thickness, and integrated flame surface area. It was concluded that the increase of turbulent burning velocity was faster than that of laminar burning velocity, which contradicted traditional theory. figs.

Combination volumetric and gravimetric sorption instrument for high accuracy measurements of methane adsorption

Science.gov (United States)

Burress, Jacob; Bethea, Donald; Troub, Brandon

2017-05-01

The accurate measurement of adsorbed gas up to high pressures (˜100 bars) is critical for the development of new materials for adsorbed gas storage. The typical Sievert-type volumetric method introduces accumulating errors that can become large at maximum pressures. Alternatively, gravimetric methods employing microbalances require careful buoyancy corrections. In this paper, we present a combination gravimetric and volumetric system for methane sorption measurements on samples between ˜0.5 and 1 g. The gravimetric method described requires no buoyancy corrections. The tandem use of the gravimetric method allows for a check on the highest uncertainty volumetric measurements. The sources and proper calculation of uncertainties are discussed. Results from methane measurements on activated carbon MSC-30 and metal-organic framework HKUST-1 are compared across methods and within the literature.

Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

Science.gov (United States)

Tachikawa, Hiroto

2017-02-01

Polycyclic aromatic hydrocarbons (PAHs) provide a 2-dimensional (2D) reaction surface in 3-dimensional (3D) interstellar space and have been utilized as a model of graphene surfaces. In the present study, the reaction of PAHs with atomic hydrogen was investigated by means of density functional theory (DFT) to systematically elucidate the binding nature of atomic hydrogen to graphene nanoflakes. PAHs with n = 4-37 were chosen, where n indicates the number of benzene rings. Activation energies of hydrogen addition to the graphene surface were calculated to be 5.2-7.0 kcal/mol at the CAM-B3LYP/6-311G(d,p) level, which is almost constant for all PAHs. The binding energies of hydrogen atom were slightly dependent on the size (n): 14.8-28.5 kcal/mol. The absorption spectra showed that a long tail is generated at the low-energy region after hydrogen addition to the graphene surface. The electronic states of hydrogenated graphenes were discussed on the basis of theoretical results.

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

International Nuclear Information System (INIS)

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

2010-01-01

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

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

Science.gov (United States)

Patki, Gauri Dilip

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

Locating the rate-limiting step for the interaction of hydrogen with Mg(0001) using density-functional theory calculations and rate theory

DEFF Research Database (Denmark)

Vegge, Tejs

2004-01-01

The dissociation of molecular hydrogen on a Mgs0001d surface and the subsequent diffusion of atomic hydrogen into the magnesium substrate is investigated using Density Functional Theory (DFT) calculations and rate theory. The minimum energy path and corresponding transition states are located usi...... to be rate-limiting for the ab- and desorption of hydrogen, respectively. Zero-point energy contributions are found to be substantial for the diffusion of atomic hydrogen, but classical rates are still found to be within an order of magnitude at room temperature.......The dissociation of molecular hydrogen on a Mgs0001d surface and the subsequent diffusion of atomic hydrogen into the magnesium substrate is investigated using Density Functional Theory (DFT) calculations and rate theory. The minimum energy path and corresponding transition states are located using...

Atomic processes, cross sections, and reaction rates necessary for modelling hydrogen-negative-ion sources and identification of optimum H- current densities

International Nuclear Information System (INIS)

Hiskes, J.R.

1991-01-01

The principal electron excitation cross sections for vibrational excitation in a hydrogen discharge are reported. In the first chamber of a two-chamber hydrogen negative-ion-source system subject to the beam-line constraint of a maximum gas pressure, the density of vibrationally excited molecules reaches an asymptote for increasing discharge current or the equivalent fast electron density. Operating near this first-chamber asymptote, there exists a spatially-dependent maximum negative-ion density in the second chamber. With the extraction grid placed at this maximum the optimum performance of a hydrogen-based system is determined. This optimum performance provides a criterion for the selection of differing source types for fusion applications

Gravimetric method for the determination of diclofenac in pharmaceutical preparations.

Science.gov (United States)

Tubino, Matthieu; De Souza, Rafael L

2005-01-01

A gravimetric method for the determination of diclofenac in pharmaceutical preparations was developed. Diclofenac is precipitated from aqueous solution with copper(II) acetate in pH 5.3 (acetic acid/acetate buffer). Sample aliquots had approximately the same quantity of the drug content in tablets (50 mg) or in ampules (75 mg). The observed standard deviation was about +/- 2 mg; therefore, the relative standard deviation (RSD) was approximately 4% for tablet and 3% for ampule preparations. The results were compared with those obtained with the liquid chromatography method recommended in the United States Pharmacopoeia using the statistical Student's t-test. Complete agreement was observed. It is possible to obtain more precise results using higher aliquots, for example 200 mg, in which case the RSD falls to 1%. This gravimetric method, contrary to what is expected for this kind of procedure, is relatively fast and simple to perform. The main advantage is the absolute character of the gravimetric analysis.

Impact of hydrogen dilution on optical properties of intrinsic hydrogenated amorphous silicon films prepared by high density plasma chemical vapor deposition for solar cell applications

Science.gov (United States)

Chen, Huai-Yi; Lee, Yao-Jen; Chang, Chien-Pin; Koo, Horng-Show; Lai, Chiung-Hui

2013-01-01

P-i-n single-junction hydrogenated amorphous silicon (a-Si:H) thin film solar cells were successfully fabricated in this study on a glass substrate by high density plasma chemical vapor deposition (HDP-CVD) at low power of 50 W, low temperature of 200°C and various hydrogen dilution ratios (R). The open circuit voltage (Voc ), short circuit current density (Jsc ), fill factor (FF) and conversion efficiency (η) of the solar cell as well as the refractive index (n) and absorption coefficient (α) of the i-layer at 600 nm wavelength rise with increasing R until an abrupt drop at high hydrogen dilution, i.e. R > 0.95. However, the optical energy bandgap (Eg ) of the i-layer decreases with the R increase. Voc and α are inversely correlated with Eg . The hydrogen content affects the i-layer and p/i interface quality of the a-Si:H thin film solar cell with an optimal value of R = 0.95, which corresponds to solar cell conversion efficiency of 3.85%. The proposed a-Si:H thin film solar cell is expected to be improved in performance.

A comparison of daily water use estimates derived from constant-heat sap-flow probe values and gravimetric measurements in pot-grown saplings.

Science.gov (United States)

K.A. McCulloh; K. Winter; F.C. Meinzer; M. Garcia; J. Aranda; Lachenbruch B.

2007-01-01

The use of Granier-style heat dissipation sensors to measure sap flow is common in plant physiology, ecology, and hydrology. There has been concern that any change to the original Granier design invalidates the empirical relationship between sap flux density and the temperature difference between the probes. We compared daily water use estimates from gravimetric...

A detailed gravimetric geoid from North America to Eurasia

Science.gov (United States)

Vincent, S. F.; Strange, W. E.; Marsh, J. G.

1972-01-01

A detailed gravimetric geoid of the United States, North Atlantic, and Eurasia, which was computed from a combination of satellite derived and surface gravity data, is presented. The precision of this detailed geoid is + or - 2 to + or - 3 m in the continents but may be in the range of 5 to 7 m in those areas where data is sparse. Comparisons of the detailed gravimetric geoid with results of Rapp, Fischer, and Rice for the United States, Bomford in Europe, and Heiskanen and Fischer in India are presented. Comparisons are also presented with geoid heights from satellite solutions for geocentric station coordinates in North America, the Caribbean, and Europe.

High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides

Energy Technology Data Exchange (ETDEWEB)

Daniel A. Mosher; Xia Tang; Ronald J. Brown; Sarah Arsenault; Salvatore Saitta; Bruce L. Laube; Robert H. Dold; Donald L. Anton

2007-07-27

This final report describes the motivations, activities and results of the hydrogen storage independent project "High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides" performed by the United Technologies Research Center under the Department of Energy Hydrogen Program, contract # DE-FC36-02AL67610. The objectives of the project were to identify and address the key systems technologies associated with applying complex hydride materials, particularly ones which differ from those for conventional metal hydride based storage. This involved the design, fabrication and testing of two prototype systems based on the hydrogen storage material NaAlH4. Safety testing, catalysis studies, heat exchanger optimization, reaction kinetics modeling, thermochemical finite element analysis, powder densification development and material neutralization were elements included in the effort.

Thermodynamic and kinetic properties of hydrogen defect pairs in SrTiO3 from density functional theory

DEFF Research Database (Denmark)

Bork, Nicolai Christian; Bonanos, Nikolaos; Rossmeisl, Jan

2011-01-01

A density functional theory investigation of the thermodynamic and kinetic properties of hydrogen–hydrogen defect interactions in the cubic SrTiO3 perovskite is presented. We find a net attraction between two hydrogen atoms with an optimal separation of ∼2.3 Å. The energy gain is ca. 0.33 eV comp...

The H{sub 60}Si{sub 6}C{sub 54} heterofullerene as high-capacity hydrogen storage medium

Energy Technology Data Exchange (ETDEWEB)

Yong, Yongliang, E-mail: ylyong@haust.edu.cn [College of Physics and Engineering, Henan University of Science and Technology, Luoyang 471003 (China); Department of Physics, Zhejiang University, Hangzhou 310027 (China); Zhou, Qingxiao; Li, Xiaohong; Lv, Shijie [College of Physics and Engineering, Henan University of Science and Technology, Luoyang 471003 (China)

2016-07-15

With the great success in Si atoms doped C{sub 60} fullerene and the well-established methods for synthesis of hydrogenated carbon fullerenes, this leads naturally to wonder whether Si-doped fullerenes are possible for special applications such as hydrogen storage. Here by using first-principles calculations, we design a novel high-capacity hydrogen storage material, H{sub 60}Si{sub 6}C{sub 54} heterofullerene, and confirm its geometric stability. It is found that the H{sub 60}Si{sub 6}C{sub 54} heterofullerene has a large HOMO-LUMO gap and a high symmetry, indicating it is high chemically stable. Further, our finite temperature simulations indicate that the H{sub 60}Si{sub 6}C{sub 54} heterofullerene is thermally stable at 300 K. H{sub 2} molecules would enter into the cage from the Si-hexagon ring because of lower energy barrier. Through our calculation, a maximum of 21 H{sub 2} molecules can be stored inside the H{sub 60}Si{sub 6}C{sub 54} cage in molecular form, leading to a gravimetric density of 11.11 wt% for 21H{sub 2}@H{sub 60}Si{sub 6}C{sub 54} system, which suggests that the hydrogenated Si{sub 6}C{sub 54} heterofullerene could be suitable as a high-capacity hydrogen storage material.

Combined Colorimetric and Gravimetric CMUT Sensor for Detection of Phenylacetone

DEFF Research Database (Denmark)

Mølgaard, Mathias Johannes Grøndahl; Laustsen, Milan; Thygesen, Ida Lysgaard

2017-01-01

The detection of phenylacetone is of interest as it is a common precursor for the synthesis of (meth)amphetamine. Resonant gravimetric sensors can be used to detect the mass and hereby the concentration of a gas while colorimetric arrays typically have an exceptional selectivity to the target...... analyte if the right colorimetric dyes are chosen. We present a sensor system consisting of a Capacitive Micromachined Ultrasonic Transducer (CMUT) and a colorimetric array for detection of phenylacetone. The CMUT is used as a resonant gravimetric gas sensor where the resonance frequency shift due to mass...

Gravimetric Analysis of Uranium in Yellow Cake

International Nuclear Information System (INIS)

Srinuttrakul, Wannee; Jantha, Suwat

2007-08-01

Full text: The gravimetric analysis of uranium in yellow cake is composed of several stages. The analysis takes a long time, which is the disadvantage of this method. However, this gravimetric method provides accurate result for determining the major content of sample. Uranium is the main composition of yellow cake, while Thorium, rare earths and other elements are minor and trace elements. In this work, anion exchange resin was used to separate uranium from other elements to yield highly pure uranium suitable for precipitation. This pure uranium was burnt to U3O8, a form that is stable enough to be weighed. From the optimal condition, the recovery of U3O8 after separating uranium from rare earths and iron is 99.85 ± 0.21%. The application of anion exchange separation was used to analyze uranium in yellow cake obtained from monazite digestion process. It was found that U3O8 in yellow cake is 78.85 ± 2.03%

Offshore gravimetric and subsidence monitoring

Energy Technology Data Exchange (ETDEWEB)

Stenvold, Torkjell

2008-06-15

are discussed in Stenvold et al. (Chapter 2). A latitude dependence of the calibration scale factors of Scintrex gravimeters is shown for the first time. Chapter 5 contains the article 'Constraints on the in situ density of CO2 within the Utsira formation from time-lapse seafloor gravity measurements' by Nooner et al. (2007), published in the International Journal of Greenhouse Gas Control. In this article gravity measurements made on 30 seafloor stations above the CO2 bubble in 2002 and 2005 have been used to constrain the in-situ density of CO2 for models derived from seismic. The gravity responses of various numerical models are compared for the1999 to 2001 period. Note that time-lapse seismic for the 2002-2005 period was not available when this article was written. Chapter 6 contains the article 'Monitoring both gas production and CO2 injection at the Sleipner field using time-lapse gravimetry' by Alnes et al., submitted 29 February 2008 to Geophysics. This is a renewed analysis of the same gravity data as in the article by Nooner et al. (Chapter 5). Recently available 4D seismic, a more updated reservoir simulation model, and reprocessed gravity and pressure data give a new estimate of CO2 density. The observed gravity response between 2002 and 2005 from the underlying Ty Formation is shown for the first time. Chapter 7 contains the article 'Gravimetric monitoring of gas production from the Troll field' by Eiken et al., submitted 3 April 2008 to Geophysics. The gravity data is used to map and quantify water influx on Troll between 2002 and 2005. There is good agreement with well data and the amount of water influx agrees with material balance calculations. Chapter 8 contains the article 'Gravimetric monitoring of gas reservoir water influx' a combined flow- and gravity-modeling approach' by Stenvold et al., and was accepted for publication in January 2008 by Geophysics. It is to appear in an upcoming special section on

An Electrochemical Capacitor with Applicable Energy Density of 7.4 Wh/kg at Average Power Density of 3000 W/kg.

Science.gov (United States)

Zhai, Teng; Lu, Xihong; Wang, Hanyu; Wang, Gongming; Mathis, Tyler; Liu, Tianyu; Li, Cheng; Tong, Yexiang; Li, Yat

2015-05-13

Electrochemical capacitors represent a new class of charge storage devices that can simultaneously achieve high energy density and high power density. Previous reports have been primarily focused on the development of high performance capacitor electrodes. Although these electrodes have achieved excellent specific capacitance based on per unit mass of active materials, the gravimetric energy densities calculated based on the weight of entire capacitor device were fairly small. This is mainly due to the large mass ratio between current collector and active material. We aimed to address this issue by a 2-fold approach of minimizing the mass of current collector and increasing the electrode performance. Here we report an electrochemical capacitor using 3D graphene hollow structure as current collector, vanadium sulfide and manganese oxide as anode and cathode materials, respectively. 3D graphene hollow structure provides a lightweight and highly conductive scaffold for deposition of pseudocapacitive materials. The device achieves an excellent active material ratio of 24%. Significantly, it delivers a remarkable energy density of 7.4 Wh/kg (based on the weight of entire device) at the average power density of 3000 W/kg. This is the highest gravimetric energy density reported for asymmetric electrochemical capacitors at such a high power density.

High Capacity Hydrogen Storage on Nanoporous Biocarbon

Science.gov (United States)

Burress, Jacob; Wood, Mikael; Gordon, Michael; Parilla, Phillip; Benham, Michael; Wexler, Carlos; Hawthorne, Fred; Pfeifer, Peter

2008-03-01

The Alliance for Collaborative Research in Alternative Fuel Technology (http://all-craft.missouri.edu) has been optimizing nanoporous biocarbon for high capacity hydrogen storage. The hydrogen storage was measured gravimetrically and volumetrically (Sievert's apparatus). These measurements have been validated by NREL and Hiden Isochema. Sample S-33/k, our current best performer, stores 73-91 g H2/kg carbon at 77 K and 47 bar, and 1.0-1.6 g H2/kg carbon at 293 K and 47 bar. Hydrogen isotherms run by Hiden Isochema have given experimental binding energies of 8.8 kJ/mol compared to the binding energy of graphite of 5 kJ/mol. Results from a novel boron doping technique will also be presented. The benefits and validity of using boron-doping on carbon will also be discussed.

Comparison of Respirable Mass Concentrations Measured by a Personal Dust Monitor and a Personal DataRAM to Gravimetric Measurements.

Science.gov (United States)

Halterman, Andrew; Sousan, Sinan; Peters, Thomas M

2017-12-15

In 2016, the Mine Safety and Health Administration required the use of continuous monitors to measure respirable dust in mines and better protect miner health. The Personal Dust Monitor, PDM3700, has met stringent performance criteria for this purpose. In a laboratory study, respirable mass concentrations measured with the PDM3700 and a photometer (personal DataRam, pDR-1500) were compared to those measured gravimetrically for five aerosols of varying refractive index and density (diesel exhaust fume, welding fume, coal dust, Arizona road dust (ARD), and salt [NaCl] aerosol) at target concentrations of 0.38, 0.75, and 1.5 mg m-3. For all aerosols except coal dust, strong, near-one-to-one, linear relationships were observed between mass concentrations measured with the PDM3700 and gravimetrically (diesel fume, slope = 0.99, R2 = 0.99; ARD, slope = 0.98, R2 = 0.99; and NaCl, slope = 0.95, R2 = 0.99). The slope deviated substantially from unity for coal dust (slope = 0.55; R2 = 0.99). Linear relationships were also observed between mass concentrations measured with the pDR-1500 and gravimetrically, but one-to-one behavior was not exhibited (diesel fume, slope = 0.23, R2 = 0.76; coal dust, slope = 0.54, R2 = 0.99; ARD, slope = 0.61, R2 = 0.99; NaCl, slope = 1.14, R2 = 0.98). Unlike the pDR-1500, mass concentrations measured with the PDM3700 appear independent of refractive index and density, suggesting that it could have applications in a variety of occupational settings. © The Author(s) 2017. Published by Oxford University Press on behalf of the British Occupational Hygiene Society.

Carbon Nanotubes as Future Energy Storage System

OpenAIRE

Vasu , V; Silambarasan , D

2017-01-01

International audience; Hydrogen is considered to be a clean energy carrier. At present the main drawback in using hydrogen as the fuel is the lack of proper hydrogen storage vehicle, thus ongoing research is focused on the development of advance hydrogen storage materials. Many alloys are able to store hydrogen reversibly, but the gravimetric storage density is too low for any practical applications. Theoretical studies have predicted that interaction of hydrogen with carbon nanotubes is by ...

Measuring intestinal fluid transport in vitro: Gravimetric method versus non-absorbable marker.

Science.gov (United States)

Whittamore, Jonathan M; Genz, Janet; Grosell, Martin; Wilson, Rod W

2016-04-01

The gut sac is a long-standing, widely used in vitro preparation for studying solute and water transport, and calculation of these fluxes requires an accurate assessment of volume. This is commonly determined gravimetrically by measuring the change in mass over time. While convenient this likely under-estimates actual net water flux (Jv) due to tissue edema. We evaluated whether the popular in vivo volume marker [(14)C]-PEG 4000, offers a more representative measure of Jvin vitro. We directly compared these two methods in five teleost species (toadfish, flounder, rainbow trout, killifish and tilapia). Net fluid absorption by the toadfish intestine based on PEG was significantly higher, by almost 4-fold, compared to gravimetric measurements, compatible with the latter under-estimating Jv. Despite this, PEG proved inconsistent for all of the other species frequently resulting in calculation of net secretion, in contrast to absorption seen gravimetrically. Such poor parallelism could not be explained by the absorption of [(14)C]-PEG (typically gravimetric method therefore remains the most reliable measure of Jv and we urge caution in the use of PEG as a volume marker. Copyright © 2016 Elsevier Inc. All rights reserved.

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

DEFF Research Database (Denmark)

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

2007-01-01

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

Toward accurate prediction of potential energy surfaces and the spectral density of hydrogen bonded systems

International Nuclear Information System (INIS)

Rekik, Najeh

2014-01-01

Despite the considerable progress made in quantum theory and computational methods, detailed descriptions of the potential energy surfaces of hydrogen-bonded systems have not yet been achieved. In addition, the hydrogen bond (H-bond) itself is still so poorly understood at the fundamental level that it remains unclear exactly what geometry constitutes a “real” H-bond. Therefore, in order to investigate features essential for hydrogen bonded complexes, a simple, efficient, and general method for calculating matrix elements of vibrational operators capable of describing the stretching modes and the H-bond bridges of hydrogen-bonded systems is proposed. The derived matrix elements are simple and computationally easy to evaluate, which makes the method suitable for vibrational studies of multiple-well potentials. The method is illustrated by obtaining potential energy surfaces for a number of two-dimensional systems with repulsive potentials chosen to be in Gaussian form for the stretching mode and of the Morse-type for the H-bond bridge dynamics. The forms of potential energy surfaces of weak and strong hydrogen bonds are analyzed by varying the asymmetry of the Gaussian potential. Moreover, the choice and applicability of the selected potential for the stretching mode and comparison with other potentials used in the area of hydrogen bond research are discussed. The approach for the determination of spectral density has been constructed in the framework of the linear response theory for which spectral density is obtained by Fourier transform of the autocorrelation function of the dipole moment operator of the fast mode. The approach involves anharmonic coupling between the high frequency stretching vibration (double well potential) and low-frequency donor-acceptor stretching mode (Morse potential) as well as the electrical anharmonicity of the dipole moment operator of the fast mode. A direct relaxation mechanism is incorporated through a time decaying exponential

Chemical hydrogen storage material property guidelines for automotive applications

Science.gov (United States)

Semelsberger, Troy A.; Brooks, Kriston P.

2015-04-01

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

Density functional theory study on the ionic liquid pyridinium hydrogen sulfate

Science.gov (United States)

Tankov, Ivaylo; Yankova, Rumyana; Genieva, Svetlana; Mitkova, Magdalena; Stratiev, Dicho

2017-07-01

The geometry, electronic structure and chemical reactivity of a pyridinium-based ionic liquid, pyridinium hydrogen sulfate ([H-Pyr]+[HSO4]-), have been discussed on the basis of quantum chemical density functional theory calculations using B3LYP/6-311+G(d,p) and B3LYP/6-311++G(2d,2p) approaches. The calculations indicated that [H-Pyr]+[HSO4]- exists in the form of an ion pair. A large electropositive potential was found on the pyridinium ring, while the regions of a negative electrostatic potential is linked with the lone pair of electronegative oxygen atoms in hydrogen sulfate anion ([HSO4]-). Electron transfer both within the anion, and between the anion and cation of an ion pair were described using natural bond orbital theory. The energy values of -7.1375 and -2.8801 eV were related to HOMO and LUMO orbitals, respectively.

Zero drift and solid Earth tide extracted from relative gravimetric data with principal component analysis

OpenAIRE

Hongjuan Yu; Jinyun Guo; Jiulong Li; Dapeng Mu; Qiaoli Kong

2015-01-01

Zero drift and solid Earth tide corrections to static relative gravimetric data cannot be ignored. In this paper, a new principal component analysis (PCA) algorithm is presented to extract the zero drift and the solid Earth tide, as signals, from static relative gravimetric data assuming that the components contained in the relative gravimetric data are uncorrelated. Static relative gravity observations from Aug. 15 to Aug. 23, 2014 are used as statistical variables to separate the signal and...

Hydrogen storage in pure and Li-doped carbon nanopores: combined effects of concavity and doping.

Science.gov (United States)

Cabria, I; López, M J; Alonso, J A

2008-04-14

Density functional calculations are reported for the adsorption of molecular hydrogen on carbon nanopores. Two models for the pores have been considered: (i) The inner walls of (7,7) carbon nanotubes and (ii) the highly curved inner surface of nanotubes capped on one end. The effect of Li doping is investigated in all cases. The hydrogen physisorption energies increase due to the concavity effect inside the clean nanotubes and on the bottom of the capped nanotubes. Li doping also enhances the physisorption energies. The sum of those two effects leads to an increase by a factor of almost 3 with respect to the physisorption in the outer wall of undoped nanotubes and in flat graphene. Application of a quantum-thermodynamical model to clean cylindrical pores of diameter 9.5 A, the diameter of the (7,7) tube, indicates that cylindrical pores of this size can store enough hydrogen to reach the volumetric and gravimetric goals of the Department of Energy at 77 K and low pressures, although not at 300 K. The results are useful to explain the experiments on porous carbons. Optimizations of the pore size, concavity, and doping appear as promising alternatives for achieving the goals at room temperature.

40 CFR 1065.290 - PM gravimetric balance.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 32 2010-07-01 2010-07-01 false PM gravimetric balance. 1065.290... balance. (a) Application. Use a balance to weigh net PM on a sample medium for laboratory testing. (b) Component requirements. We recommend that you use a balance that meets the specifications in Table 1 of...

A gravimetric simplified method for nucleated marrow cell counting using an injection needle.

Science.gov (United States)

Saitoh, Toshiki; Fang, Liu; Matsumoto, Kiyoshi

2005-08-01

A simplified gravimetric marrow cell counting method for rats is proposed for a regular screening method. After fresh bone marrow was aspirated by an injection needle, the marrow cells were suspended in carbonate buffered saline. The nucleated marrow cell count (NMC) was measured by an automated multi-blood cell analyzer. When this gravimetric method was applied to rats, the NMC of the left and right femurs had essentially identical values due to careful handling. The NMC at 4 to 10 weeks of age in male and female Crj:CD(SD)IGS rats was 2.72 to 1.96 and 2.75 to 1.98 (x10(6) counts/mg), respectively. More useful information for evaluation could be obtained by using this gravimetric method in addition to myelogram examination. However, some difficulties with this method include low NMC due to blood contamination and variation of NMC due to handling. Therefore, the utility of this gravimetric method for screening will be clarified by the accumulation of the data on myelotoxicity studies with this method.

Preliminary study of gravimetric anomalies in the Magallanes-Fagnano fault system, South America

Directory of Open Access Journals (Sweden)

Juan Manuel Alcacer

2018-01-01

Full Text Available The main objective of this research is to recognize several geological structures associated with the shear zones of the MFFS (Magallanes – Fagnano fault system by the analysis and interpretation of gravimetric anomalies. Besides, to compare the gravimetrical response of the cortical blocks that integrate the region under study, which is related to the different morphotectonic domains recognized in the region. This research was developed employing data obtained from World Gravity 1.0, which includes earth and satellite gravity data derived from the EGM2008 model. The study and interpretation of the MFFS from the analysis and processing of the gravimetric data, allowed appreciation of a noticeable correlation with the most superficial cortical structure.

Comparison of macro-gravimetric and micro-colorimetric lipid determination methods.

Science.gov (United States)

Inouye, Laura S; Lotufo, Guiherme R

2006-10-15

In order to validate a method for lipid analysis of small tissue samples, the standard macro-gravimetric method of Bligh-Dyer (1959) [E.G. Bligh, W.J. Dyer, Can. J. Biochem. Physiol. 37 (1959) 911] and a modification of the micro-colorimetric assay developed by Van Handel (1985) [E. Van Handel, J. Am. Mosq. Control Assoc. 1 (1985) 302] were compared. No significant differences were observed for wet tissues of two species of fish. However, limited analysis of wet tissue of the amphipod, Leptocheirusplumulosus, indicated that the Bligh-Dyer gravimetric method generated higher lipid values, most likely due to the inclusion of non-lipid materials. Additionally, significant differences between the methods were observed with dry tissues, with the micro-colorimetric method consistently reporting calculated lipid values greater than as reported by the gravimetric method. This was most likely due to poor extraction of dry tissue in the standard Bligh-Dyer method, as no significant differences were found when analyzing a single composite extract. The data presented supports the conclusion that the micro-colorimetric method described in this paper is accurate, rapid, and minimizes time and solvent use.

Interpretation of Gravimetric and Aeromagnetic Data of the Tecoripa Chart in Southeast Sonora, Mexico.

Science.gov (United States)

Martínez-Retama, S.; Montaño-Del Cid, M. A.

2015-12-01

The Tecoripa chart H12-D64 is located southeast of the state of Sonora, México, south of Arizona. The geology is represented by sedimentary rocks of the Ordovician and Triassic, volcanic rocks of the Upper Cretaceous and Tertiary, intrusive rocks from the Upper Cretaceous- Tertiary and sedimentary rocks of the Cenozoic. In this paper a gravimetric study was conducted to determine the configuration and depth of the basement and to develop a structural model of the subsurface. For this purpose a consistent gravimetric survey in 3 profiles was conducted. To complement this study, gravimetric data obtained by INEGI (96 gravimetric stations spaced every 4000 m) that correspond to a regional survey was also used. The two sets of data were corrected and processed with the WinGLink software. The profiles were then modeled using the Talwani method. 4 Profiles corresponding to the gravimetric survey and 5 data profiles from INEGI were modeled. Aeromagnetic data from the total field of Tecoripa chart were also processed. The digital information was integrated and processed by generating a data grid. Processes applied to data consisted of reduction to the pole, regional-residual separation and upward continuations. In general, the obtained structural models show intrusive bodies associated with well-defined high gravimetric and magnetic and low gravimetric and magnetic are associated with basins and sedimentary rocks. The obtained geological models show the basement represented by volcanic rocks of the Tarahumara Formation from the Upper Cretaceous which are in contact with sedimentary rocks from the Barranca Group from Upper Cretaceous and limestones from the Middle Ordovician. Both volcanic and sedimentary rocks are intruded by granodiorite- granite with ages of the Tertiary-Oligocene. Based on the superficial geology as well as in the configuration of the basement and the obtained structural model the existence of faults with NW-SE orientation that originate Horst and

Dependence of the saturated light-induced defect density on macroscopic properties of hydrogenated amorphous silicon

OpenAIRE

Park, H. R.; Liu, J. Z.; Roca i Cabarrocas, P.; Maruyama, A.; Isomura, M.; Wagner, S.; Abelson, J. R.; Finger, F.

2008-01-01

We report a study of the saturated light-induced defect density Ns,sat in 37 hydrogenated (and in part fluorinated) amorphous silicon [a-Si:H(F)] films grown in six different reactors under widely different conditions. Ns,sat was attained by exposing the films to light from a krypton ion laser (λ=647.1 nm). Ns,sat is determined by the constant photocurrent method and lies between 5×1016 and 2×1017 cm−3. Ns,sat drops with decreasing optical gap Eopt and hydrogen content cH, but is not correlat...

Moho Density Contrast in Central Eurasia from GOCE Gravity Gradients

Directory of Open Access Journals (Sweden)

Mehdi Eshagh

2016-05-01

Full Text Available Seismic data are primarily used in studies of the Earth’s inner structure. Since large parts of the world are not yet sufficiently covered by seismic surveys, products from the Earth’s satellite observation systems have more often been used for this purpose in recent years. In this study we use the gravity-gradient data derived from the Gravity field and steady-state Ocean Circulation Explorer (GOCE, the elevation data from the Shuttle Radar Topography Mission (SRTM and other global datasets to determine the Moho density contrast at the study area which comprises most of the Eurasian plate (including parts of surrounding continental and oceanic tectonic plates. A regional Moho recovery is realized by solving the Vening Meinesz-Moritz’s (VMM inverse problem of isostasy and a seismic crustal model is applied to constrain the gravimetric solution. Our results reveal that the Moho density contrast reaches minima along the mid-oceanic rift zones and maxima under the continental crust. This spatial pattern closely agrees with that seen in the CRUST1.0 seismic crustal model as well as in the KTH1.0 gravimetric-seismic Moho model. However, these results differ considerably from some previously published gravimetric studies. In particular, we demonstrate that there is no significant spatial correlation between the Moho density contrast and Moho deepening under major orogens of Himalaya and Tibet. In fact, the Moho density contrast under most of the continental crustal structure is typically much more uniform.

High-energy-density hydrogen-halogen fuel cells for advanced military applications

International Nuclear Information System (INIS)

Balko, E.N.; McElroy, J.F.

1981-01-01

It is pointed out that hydrogen-halogen fuel cell systems are particularly suited for an employment as ground power sources for military applications. The large cell potential and reversible characteristics of the H 2 Cl 2 and H 2 Br 2 couples permit high energy storage density and efficient energy conversion. When used as flow batteries, the fluid nature of the reactants in the hydrogen-halogen systems has several advantages over power sources which involve solid phases. Very deep discharge is possible without degradation of subsequent performance, and energy storage capacity is limited only by the external reactant storage volume. Very rapid chemical recharging is possible through replenishment of the reactant supply. A number of H 2 Cl 2 and H 2 Br 2 fuel cell systems have been studied. These systems use the same solid polymer electrolyte (SPE) cell technology originally developed for H2/O2 fuel cells. The results of the investigation are illustrated with the aid of a number of graphs

Comparison of fine particle measurements from a direct-reading instrument and a gravimetric sampling method.

Science.gov (United States)

Kim, Jee Young; Magari, Shannon R; Herrick, Robert F; Smith, Thomas J; Christiani, David C

2004-11-01

Particulate air pollution, specifically the fine particle fraction (PM2.5), has been associated with increased cardiopulmonary morbidity and mortality in general population studies. Occupational exposure to fine particulate matter can exceed ambient levels by a large factor. Due to increased interest in the health effects of particulate matter, many particle sampling methods have been developed In this study, two such measurement methods were used simultaneously and compared. PM2.5 was sampled using a filter-based gravimetric sampling method and a direct-reading instrument, the TSI Inc. model 8520 DUSTTRAK aerosol monitor. Both sampling methods were used to determine the PM2.5 exposure in a group of boilermakers exposed to welding fumes and residual fuel oil ash. The geometric mean PM2.5 concentration was 0.30 mg/m3 (GSD 3.25) and 0.31 mg/m3 (GSD 2.90)from the DUSTTRAK and gravimetric method, respectively. The Spearman rank correlation coefficient for the gravimetric and DUSTTRAK PM2.5 concentrations was 0.68. Linear regression models indicated that log, DUSTTRAK PM2.5 concentrations significantly predicted loge gravimetric PM2.5 concentrations (p gravimetric PM2.5 concentrations was found to be modified by surrogate measures for seasonal variation and type of aerosol. PM2.5 measurements from the DUSTTRAK are well correlated and highly predictive of measurements from the gravimetric sampling method for the aerosols in these work environments. However, results from this study suggest that aerosol particle characteristics may affect the relationship between the gravimetric and DUSTTRAK PM2.5 measurements. Recalibration of the DUSTTRAK for the specific aerosol, as recommended by the manufacturer, may be necessary to produce valid measures of airborne particulate matter.

Performance of Several Density Functional Theory Methods on Describing Hydrogen-Bond Interactions.

Science.gov (United States)

Rao, Li; Ke, Hongwei; Fu, Gang; Xu, Xin; Yan, Yijing

2009-01-13

We have investigated eleven density functionals, including LDA, PBE, mPWPW91, TPSS, B3LYP, X3LYP, PBE0, O3LYP, B97-1, MPW1K, and TPSSh, for their performances on describing hydrogen bond (HB) interactions. The emphasis has been laid not only on their abilities to calculate the intermolecular hydrogen bonding energies but also on their performances in predicting the relative energies of intermolecular H-bonded complexes and the conformer stabilities due to intramolecular hydrogen bondings. As compared to the best theoretical values, we found that although PBE and PBE0 gave the best estimation of HB strengths, they might fail to predict the correct order of relative HB energies, which might lead to a wrong prediction of the global minimum for different conformers. TPSS and TPSSh did not always improve over PBE and PBE0. B3LYP was found to underestimate the intermolecular HB strengths but was among the best performers in calculating the relative HB energies. We showed here that X3LYP and B97-1 were able to give good values for both absolute HB strengths and relative HB energies, making these functionals good candidates for HB description.

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-01-01

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

Pauli potential from Heilmann-Lieb electron density obtained by summing hydrogenic closed-shell densities over the entire bound-state spectrum

International Nuclear Information System (INIS)

Bogar, Ferenc; Bartha, Ferenc; Bartha, Ferenc A.; March, Norman H.

2011-01-01

Independently, in the mid-1980s, several groups proposed to bosonize the density-functional theory (DFT) for fermions by writing a Schroedinger equation for the density amplitude ρ(r) 1/2 , with ρ(r) as the ground-state electron density, the central tool of DFT. The resulting differential equation has the DFT one-body potential V(r) modified by an additive term V P (r) where P denotes Pauli. To gain insight into the form of the Pauli potential V P (r), here, we invoke the known Coulombic density, ρ ∞ (r) say, calculated analytically by Heilmann and Lieb (HL), by summation over the entire hydrogenic bound-state spectrum. We show that V P∞ (r) has simple limits for both r tends to infinity and r approaching zero. In particular, at large r, V P∞ (r) precisely cancels the attractive Coulomb potential -Ze 2 /r, leaving V(r)+V P∞ (r) of O(r -2 ) as r tends to infinity. The HL density ρ ∞ (r) is finally used numerically to display V P∞ (r) for all r values.

A study of the electrochemical hydrogenation of o-xylene in a PEM hydrogenation reactor

International Nuclear Information System (INIS)

Fonocho, R.; Gardner, C.L.; Ternan, M.

2012-01-01

In this study, we investigate the electrochemical hydrogenation of o-xylene in a proton exchange membrane hydrogenation reactor (PEMHR). The reactor was operated isothermally over the temperature range 20–68 °C and at a pressure of 1 atm in a semi-batch mode. Hydrogen was fed into the anode compartment and o-xylene into the cathode. The hydrogenation efficiency was investigated at different current densities and temperatures. Results obtained show that the hydrogenation efficiency increases with temperature but decreases with current density. At low current densities the hydrogenation efficiency approaches 100%. A zero dimensional model was used to fit the data and extract a rate constant for the hydrogenation reaction. The activation energy for this reaction was found to be 28 kJ/mole.

Reduction Of Gravimetric Data Using An Integrated Computer ...

African Journals Online (AJOL)

The rigour of gravimetric data collection, and the non-availability of comprehensive data reduction software that takes care of local peculiarities, have always constituted hindrance to the application of the gravity method of geophysical studies. However, in recent time, the importance of the gravity method in mineral ...

Metallic hydrogen research

International Nuclear Information System (INIS)

Burgess, T.J.; Hawke, R.S.

1978-01-01

Theoretical studies predict that molecular hydrogen can be converted to the metallic phase at very high density and pressure. These conditions were achieved by subjecting liquid hydrogen to isentropic compression in a magnetic-flux compression device. Hydrogen became electrically conducting at a density of about 1.06 g/cm 3 and a calculated pressure of about 2 Mbar. In the experimental device, a cylindrical liner, on implosion by high explosive, compresses a magnetic flux which in turn isentropically compresses a hydrogen sample; coaxial conical anvils prevent escape of the sample during compression. One anvil contains a coaxial cable that uses alumina ceramic as an insulator; this probe allows continuous measurement of the electrical conductivity of the hydrogen. A flash x-ray radiograph exposed during the experiment records the location of the sample-tube boundaries and permits calculation of the sample density. The theoretical underpinnings of the metallic transition of hydrogen are briefly summarized, and the experimental apparatus and technique, analytical methods, and results are described. 9 figures

Technical note: Comparison of metal-on-metal hip simulator wear measured by gravimetric, CMM and optical profiling methods

Science.gov (United States)

Alberts, L. Russell; Martinez-Nogues, Vanesa; Baker Cook, Richard; Maul, Christian; Bills, Paul; Racasan, R.; Stolz, Martin; Wood, Robert J. K.

2018-03-01

Simulation of wear in artificial joint implants is critical for evaluating implant designs and materials. Traditional protocols employ the gravimetric method to determine the loss of material by measuring the weight of the implant components before and after various test intervals and after the completed test. However, the gravimetric method cannot identify the location, area coverage or maximum depth of the wear and it has difficulties with proportionally small weight changes in relatively heavy implants. In this study, we compare the gravimetric method with two geometric surface methods; an optical light method (RedLux) and a coordinate measuring method (CMM). We tested ten Adept hips in a simulator for 2 million cycles (MC). Gravimetric and optical methods were performed at 0.33, 0.66, 1.00, 1.33 and 2 MC. CMM measurements were done before and after the test. A high correlation was found between the gravimetric and optical methods for both heads (R 2  =  0.997) and for cups (R 2  =  0.96). Both geometric methods (optical and CMM) measured more volume loss than the gravimetric method (for the heads, p  =  0.004 (optical) and p  =  0.08 (CMM); for the cups p  =  0.01 (optical) and p  =  0.003 (CMM)). Two cups recorded negative wear at 2 MC by the gravimetric method but none did by either the optical method or by CMM. The geometric methods were prone to confounding factors such as surface deformation and the gravimetric method could be confounded by protein absorption and backside wear. Both of the geometric methods were able to show the location, area covered and depth of the wear on the bearing surfaces, and track their changes during the test run; providing significant advantages to solely using the gravimetric method.

Solution thermodynamics of valnemulin hydrogen fumarate in different pure solvents

International Nuclear Information System (INIS)

Ouyang, Jinbo; Wang, Jingkang; Huang, Xin; Bao, Ying; Wang, Yongli; Yin, Qiuxiang; Liu, Ailing; Li, Xudong; Hao, Hongxun

2015-01-01

Highlights: • The solubility of valnemulin hydrogen fumarate in five pure solvents was experimentally determined. • The solubility data were correlated by Wilson model, NRTL model and UNIQUAC model. • Mixing thermodynamic properties of valnemulin hydrogen fumarate in five pure solvents were calculated. - Abstract: Solubility of valnemulin hydrogen fumarate in five pure solvents was determined within temperature range of (278.15 to 323.15) K by a gravimetric method. The results show that the solubility of valnemulin hydrogen fumarate in tested pure solvents increases with the increasing temperature. The solubility values were correlated by the Wilson model, NRTL model and UNIQUAC model. The UNIQUAC volume parameter, area parameter, and Wilson liquid molar volume parameter of valnemulin hydrogen fumarate were estimated by the group contribution method. It was found that the correlated results are in good agreement with the experimental results. Furthermore, the mixing thermodynamic properties of valnemulin hydrogen fumarate in solutions, including the mixing Gibbs energy, the mixing enthalpy and entropy, were determined by using the Wilson model and the experimental solubility results.

CH spectroscopy for carbon chemical erosion analysis in high density low temperature hydrogen plasma

NARCIS (Netherlands)

Westerhout, J.; Cardozo, N. J. L.; Rapp, J.; van Rooij, G. J.

2009-01-01

The CH A-X molecular band is measured upon seeding the hydrogen plasma in the linear plasma generator Pilot-PSI [electron temperature T-e=0.1-2.5 eV and electron density n(e)=(0.5-5) X 10(20) m(-3)] with methane. Calculated inverse photon efficiencies for these conditions range from 3 up to

Application of gamma-ray radiography and gravimetric measurements after accelerated corrosion tests of steel embedded in mortar

Energy Technology Data Exchange (ETDEWEB)

Duffó, Gustavo, E-mail: duffo@cnea.gov.ar [Comisión Nacional de Energía Atómica, Gerencia Materiales, Depto. Corrosión, Av. Gral. Paz 1499, 1650 San Martín, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Av. Rivadavia 1917, 1033 Buenos Aires (Argentina); Universidad Nacional de San Martín, Av. Gral. Paz 1499, 1650 San Martín, Buenos Aires (Argentina); Gaillard, Natalia [Universidad Nacional de San Martín, Av. Gral. Paz 1499, 1650 San Martín, Buenos Aires (Argentina); Mariscotti, Mario; Ruffolo, Marcelo [Tomografía de Hormigón Armado S.A. (THASA), Reclus 2017, 1609 Boulogne, Buenos Aires (Argentina)

2015-08-15

The accelerated corrosion by the impressed current technique is widely used in studies of concrete durability since it has the advantage that tests can be carried out within reasonable periods of time. In the present work the relationship between the applied current density and the resulting damage on the reinforcing steel, by applying optical microscopy, scanning electron microscopy, gamma-ray radiography and gravimetric measurements, was studied by means of the implementation of accelerated corrosion tests on reinforced mortar. The results show that the efficiency of the applied current is between 1 and 77%, regardless of the applied current density, the water/cement ratio and the mortar cover depth of the specimens. The results show the applicability of the gamma-ray radiography technique to detect localized corrosion of steel rebars in laboratory specimens.

Contribution to the determination of total hydrogen in oxide nuclear fuels

International Nuclear Information System (INIS)

Bartscher, W.; Kutter, H.

1979-01-01

Normally the total hydrogen content of a fast breeder mixed oxide fuel is calculated from the results of the determinations of free hydrogen and water. Thermodynamic considerations, coupled with kinetic results for room temperature and 1000 0 C and taken from the literature indicate, that the normal method for the determination of water by heating in a carrier gas stream and subsequent coulometric determination of the expelled water must give low results. A modification of this method involving the introduction of a copper oxide furnace into the system for the oxidation of hydrogen has been studied. The resulting method for the determination of total hydrogen gives about ten times higher values than those calculated from the normal water determination. These total hydrogen values and the oxygen to metal ratios which are obtained by gravimetric methods and not corrected for the water content, reflect more realistically the in-pile conditions in the fuel pin. (Auth.)

Interferometric determination of electron density in a high pressure hydrogen arc. 1. Calculation of refraction index

Energy Technology Data Exchange (ETDEWEB)

Radtke, R; Guenther, K; Ulbricht, R [Akademie der Wissenschaften der DDR, Berlin. Zentralinstitut fuer Elektronenphysik

1980-01-14

The refraction index of a hydrogen plasma in LTE was calculated as a function of the wavelength of observation, temperature and pressure, taking into account bound-bound and bound-free transitions of the neutral atom. According to the present calculation, the influence of excited states at higher temperatures is smaller than indicated by Baum et al (Plasma Phys.; 17: 79 (1975)) for argon. Using the calculations presented here, the interferometric investigation of a high pressure hydrogen arc should allow the determination of the electron density with an accuracy of the order of 1%.

Processing routes evaluation of severely deformed Mg-Fe alloys for hydrogen storage applications

International Nuclear Information System (INIS)

Antiqueira, F.J.; Leiva, D.R.; Ishikawa, T.T.; Jorge Junior, A.M.; Botta, W.J.

2016-01-01

MgH 2 is considered an interesting material for safe hydrogen storage in the solid state, due to its high gravimetric nominal capacity of 7,6%, and the relative low cost of magnesium. In this study, we attempted to improve the performance of the MgH 2 in the hydrogen storage. Different processing routes for Mg and Mg-Fe by severe plastic deformation were evaluated. The prepared materials were characterized by X-ray diffraction (XRD), scanning (SEM) and transmission electron microscopy (TEM). The hydrogen storage properties were evaluated by differential scanning calorimetry and the Sievert's method. The results indicate superior properties to materials catalyzed with iron, as well as a high dependence of hydrogen absorption / desorption kinetic in accordance with the microstructures obtained through the various processing routes. (author)

Gravimetric and profilometric measurements of the ablation rates of photosensitive polymers at different wavelengths

International Nuclear Information System (INIS)

Dumont, Th.; Bischofberger, R.; Lippert, T.; Wokaun, A.

2005-01-01

The ablation rates of two polyimides (PMDA and DurimidTM) and one triazene polymer were studied by gravimetric (quartz microbalance) and profilometric (profilometer) methods at irradiation wavelengths of 193, 248 and 308 nm. The ablation rates determined by the two methods are discussed in the context of the absorption behavior of the materials. Furthermore, the consistence of the two experimental methods is discussed for the ablation rates of DurimidTM and the triazene polymer. The gravimetric measurements revealed a good correlation between the ablation rate and the absorption properties of the examined materials. The comparison of the gravimetric and the profilometric measurements suggest a significant mass removal, e.g. by formation of gaseous products, prior to the detection of changes in the surface morphology

Davisson-Germer Prize Talk: Hydrogen storage in nanoporous materials

Science.gov (United States)

Chabal, Yves

2009-03-01

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

Modelling high density phenomena in hydrogen fibre Z-pinches

International Nuclear Information System (INIS)

Chittenden, J.P.

1990-09-01

The application of hydrogen fibre Z-pinches to the study of the radiative collapse phenomenon is studied computationally. Two areas of difficulty, the formation of a fully ionized pinch from a cryogenic fibre and the processes leading to collapse termination, are addressed in detail. A zero-D model based on the energy equation highlights the importance of particle end losses and changes in the Coulomb logarithm upon collapse initiation and termination. A 1-D Lagrangian resistive MHD code shows the importance of the changing radial profile shapes, particularly in delaying collapse termination. A 1-D, three fluid MHD code is developed to model the ionization of the fibre by thermal conduction from a high temperature surface corona to the cold core. Rate equations for collisional ionization, 3-body recombination and equilibration are solved in tandem with fluid equations for the electrons, ions and neutrals. Continuum lowering is found to assist ionization at the corona-core interface. The high density plasma phenomena responsible for radiative collapse termination are identified as the self-trapping of radiation and free electron degeneracy. A radiation transport model and computational analogues for the effects of degeneracy upon the equation of state, transport coefficients and opacity are implemented in the 1-D, single fluid model. As opacity increases the emergent spectrum is observed to become increasingly Planckian and a fall off in radiative cooling at small radii and low frequencies occurs giving rise to collapse termination. Electron degeneracy terminates radiative collapse by supplementing the radial pressure gradient until the electromagnetic pinch force is balanced. Collapse termination is found to be a hybrid process of opacity and degeneracy effects across a wide range of line densities with opacity dominant at large line densities but with electron degeneracy becoming increasingly important at lower line densities. (author)

Quartz analysis in gravimetric sampling

International Nuclear Information System (INIS)

Rex, D.A.

1990-01-01

An overview of the methods employed in the assessment of quartz exposure is provided. The principles and some of the problems associated with each method is discussed. The methods reviewed include wet chemical methods, X-ray diffraction and infrared absorption of which the latter two methods are deemed appropriate for analysing quartz on personal gravimetric collected samples. The implications of combining area samples collected over a six month period, and performing only a single quartz analysis rather than separate analyses, are considered. Finally, various options open to mines with regard to their involvement with quartz analysis are also briefly discussed. 35 refs., 6 figs., 1 tab

Advanced materials for solid state hydrogen storage: “Thermal engineering issues”

International Nuclear Information System (INIS)

Srinivasa Murthy, S.; Anil Kumar, E.

2014-01-01

Hydrogen has been widely recognized as the “Energy Carrier” of the future. Efficient, reliable, economical and safe storage and delivery of hydrogen form important aspects in achieving success of the “Hydrogen Economy”. Gravimetric and volumetric storage capacities become important when one considers portable and mobile applications of hydrogen. In the case of solid state hydrogen storage, the gas is reversibly embedded (by physisorption and/or chemisorption) in a solid matrix. A wide variety of materials such as intermetallics, physisorbents, complex hydrides/alanates, metal organic frameworks, etc. have been investigated as possible storage media. This paper discusses the feasibility of lithium– and sodium–aluminum hydrides with emphasis on their thermodynamic and thermo-physical properties. Drawbacks such as poor heat transfer characteristics and poor kinetics demand special attention to the thermal design of solid state storage devices. - Highlights: • Advanced materials suitable for solid state hydrogen storage are discussed. • Issues related to thermodynamic and thermo-physical properties of hydriding materials are brought out. • Hydriding and dehydriding behavior including sorption kinetics of complex hydrides with emphasis on alanates are explained

Magnesium nanoparticles with transition metal decoration for hydrogen storage

International Nuclear Information System (INIS)

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

2011-01-01

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

Analysis of hydrogen, carbon, sulfur and volatile compounds in (U3Si2 - Al) nuclear fuel

International Nuclear Information System (INIS)

Moura, Sergio C.; Redigolo, Marcelo M.; Amaral, Priscila O.; Leao, Claudio; Oliveira, Glaucia A.C. de; Bustillos, Oscar V.

2015-01-01

Uranium silicide U 3 Si 2 is used as nuclear fuel in the research nuclear reactor IEA-R1 at IPEN/CNEN, Sao Paulo, Brazil. The U 3 Si 2 is dispersed in aluminum reaching high densities of uranium in the nucleus of the fuel, up to 4.8 gU cm -3 . This nuclear fuel must comply with a quality control, which includes analysis of hydrogen, carbon and sulfur for the U 3 Si 2 and volatile compound for the aluminum. Hydrogen, carbon and sulfur are analyzed by the method of Radio Frequency gas extraction combustion coupled with Infrared detector. Volatile compounds are analyzed by the method of heated gas extraction coupled with gravimetric measurement. These methods are recommended by the American Society for Testing Materials (ASTM) for nuclear materials. The average carbon and sulfur measurements are 30 μg g -1 and 3 μg g -1 , respectively, and 40 μg g -1 for volatile compounds. The hydrogen analyzer is a TCHEN 600 LECO, carbon and sulfur analyzer is a CS 244 LECO and the volatile compounds analyzer is a home-made apparatus that use a resistant furnace, a gas pipe measurement and a glove-box with controlled atmosphere where an analytical balance has been installed, this analyzer was made at IPEN laboratory. (author)

Estimation of energy density of Li-S batteries with liquid and solid electrolytes

Science.gov (United States)

Li, Chunmei; Zhang, Heng; Otaegui, Laida; Singh, Gurpreet; Armand, Michel; Rodriguez-Martinez, Lide M.

2016-09-01

With the exponential growth of technology in mobile devices and the rapid expansion of electric vehicles into the market, it appears that the energy density of the state-of-the-art Li-ion batteries (LIBs) cannot satisfy the practical requirements. Sulfur has been one of the best cathode material choices due to its high charge storage (1675 mAh g-1), natural abundance and easy accessibility. In this paper, calculations are performed for different cell design parameters such as the active material loading, the amount/thickness of electrolyte, the sulfur utilization, etc. to predict the energy density of Li-S cells based on liquid, polymeric and ceramic electrolytes. It demonstrates that Li-S battery is most likely to be competitive in gravimetric energy density, but not volumetric energy density, with current technology, when comparing with LIBs. Furthermore, the cells with polymer and thin ceramic electrolytes show promising potential in terms of high gravimetric energy density, especially the cells with the polymer electrolyte. This estimation study of Li-S energy density can be used as a good guidance for controlling the key design parameters in order to get desirable energy density at cell-level.

τ - hydrogen phosphate of zirconia in sodium salt form and some of its properties

International Nuclear Information System (INIS)

Fernandez V, S.M.; Ordonez R, E.

2004-01-01

It is reported the obtaining and characterization in the sodium salt form of the τ-hydrogen phosphate of zirconium in sodium form, this compound it was synthesized, for a new technique developed in the laboratory of Dept. of Chemistry of the ININ. The characterization was carried out for XRD, IR, Sem and EDS the thermal gravimetric analysis is also reported. (Author)

3D inversion and modeling of magnetic and gravimetric data characterizing the geophysical anomaly source in Pratinha I in the southeast of Brazil

Science.gov (United States)

Louro, Vinicius Hector Abud; Mantovani, Marta Silvia Maria

2012-05-01

The Alto do Paranaíba Igneous Province (APIP) is known for its great mineral exploratory interest in phosphates, niobium, titanium, and diamonds, among others. In the years of 2005 and 2006, the Economic Development Company of Minas Gerais (CODEMIG — http://www.comig.com.br/) performed an airborne magnetic survey over the portion of this igneous province which belongs to Minas Gerais state, denominated Area 7. This survey revealed at the coordinates (19°45'S, 46°10'W) a tripolar anomaly here referred as Pratinha I. This anomaly does not present evidences of outcropping or topographic remodeling. So, boreholes or studies over its sources make the geophysical methods the best and less expensive solution for studying the body in its subsurface. Besides, two gravimetric ground surveys were performed in 2009 and 2010, confirming the existence of a density contrast over the region of the magnetic anomaly. Therefore, through the magnetometry and gravimetry processing, 3D modeling and inversions, it was possible to estimate the geometry, density and magnetic susceptibility, which when analyzed with the regional geology, enabled the proposition of an igneous intrusion of probable alkaline or kamafugitic composition to justify the gravimetric and magnetic response in the region.

Ice XVII as a Novel Material for Hydrogen Storage

Directory of Open Access Journals (Sweden)

Leonardo del Rosso

2017-02-01

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

Density functional theory study on the formation of reactive benzoquinone imines by hydrogen abstraction

DEFF Research Database (Denmark)

Leth, Rasmus; Rydberg, Patrik; Jørgensen, Flemming Steen

2015-01-01

Many drug compounds are oxidized by cytochrome P450 (CYP) enzymes to form reactive metabolites. This study presents density functional theory calculations of the CYP-mediated metabolism of acetaminophen and a series of related compounds that can form reactive metabolites by hydrogen abstraction....... The substitution pattern affects the activation barrier for hydrogen abstraction by up to 30 kJ/mol. A correlation (R(2) = 0.72) between the transition-state energies and the corresponding substrate radical energies has been established. Using this correlation is significantly less time-demanding than using...... the porphyrin model to determine the activation energies. We have used this correlation on monosubstituted phenols to rationalize the effect of the various substituents in the drug compounds. In addition to facilitating a chemical interpretation, the approach is sufficiently fast and reliable to be used...

Mapping of the atomic hydrogen density in combustion processes at atmospheric pressure by two-photon polarization spectroscopy

International Nuclear Information System (INIS)

Steiger, A.; Gruetzmacher, K.; Steiger, M.; Gonzalo, A.B.; Rosa, M.I. de la

2001-01-01

With laser spectroscopic techniques used so far, quantitative measurements of atomic number densities in flames and other combustion processes at atmospheric pressure yield no satisfying results because high quenching rates remarkably reduce the signal size and the results suffer from large uncertainties. Whereas, two-photon polarization spectroscopy is not limited by quenching, as the polarization signal is a direct measure of the two-photon absorption. This sensitive laser technique with high spatial and temporal resolution has been applied to determine absolute number densities and the kinetic temperatures of atomic hydrogen in flames for the first time. The great potential of this method of measurement comes into its own only in conjunction with laser radiation of highest possible spectral quality, i.e. single-frequency ns-pulses with peak irradiance of up to 1 GW/cm 2 tunable around 243 nm for 1S-2S two-photon transition of atomic hydrogen

Spectrophotometric, potentiometric, and gravimetric determination of lanthanides with peri-dihydroxynaphthindenone

International Nuclear Information System (INIS)

Hassan, S.S.M.; Mahmoud, W.H.

1982-01-01

Sensitive and reasonably selective methods are described for the spectrophotometric, potentiometric, and gravimetric determination of lanthanides using peri-dihydroxynaphthindenone as a novel chromogenic and precipitating reagent. The reagent forms a stable 1:2 (metal:reagent) type of complex with light lanthanides at pH 2-7 in 1:1 ethanol-water mixture. Low metal concentrations ( 4 L mol -1 cm -1 ) which obey Beer's law. Quantitative precipitation of the complexes from metal solutions of concentrations > 100 μg/mL permits both gravimetric quantitation by igniting the precipitates to the metal oxides and potentiometric titration of the excess reagent. Results with an average recovery of 98% (standard deviation 0.7%) are obtainable for 0.1 μg to 200 mg of all light lanthanides. Many foreign ions naturally occurring or frequently associated with lanthanides do not interfere or can be tolerated

“Turn on” fluorescence enhancement of Zn octacarboxyphthaloyanine-graphene oxide conjugates by hydrogen peroxide

Energy Technology Data Exchange (ETDEWEB)

Shumba, Munyaradzi; Mashazi, Philani; Nyokong, Tebello, E-mail: t.nyokong@ru.ac.za

2016-02-15

Zn octacarboxy phthalocyanine-reduced graphene oxide or graphene oxide conjugates were characterized by absorption spectroscopy, transmission electron microscopy, fluorescence spectroscopy, X-ray diffraction, thermo gravimetric analysis and X-ray photon spectroscopy. The presence of reduced graphene oxide or graphene oxide resulted in the quenching (turn on) of Zn octacarboxy phthalocyanine fluorescence which can be explained by photoinduced electron transfer. Zn octacarboxy phthalocyanine-reduced graphene oxide or graphene oxide conjugates “turned on” fluorescence showed a linear response to hydrogen peroxide hence their potential to be used as sensors. The nanoprobe developed showed high selectivity towards hydrogen peroxide in the presence of physiological interferences.

“Turn on” fluorescence enhancement of Zn octacarboxyphthaloyanine-graphene oxide conjugates by hydrogen peroxide

International Nuclear Information System (INIS)

Shumba, Munyaradzi; Mashazi, Philani; Nyokong, Tebello

2016-01-01

Zn octacarboxy phthalocyanine-reduced graphene oxide or graphene oxide conjugates were characterized by absorption spectroscopy, transmission electron microscopy, fluorescence spectroscopy, X-ray diffraction, thermo gravimetric analysis and X-ray photon spectroscopy. The presence of reduced graphene oxide or graphene oxide resulted in the quenching (turn on) of Zn octacarboxy phthalocyanine fluorescence which can be explained by photoinduced electron transfer. Zn octacarboxy phthalocyanine-reduced graphene oxide or graphene oxide conjugates “turned on” fluorescence showed a linear response to hydrogen peroxide hence their potential to be used as sensors. The nanoprobe developed showed high selectivity towards hydrogen peroxide in the presence of physiological interferences.

Modeling and Inversion of three-dimensional crustal structures beneath the Pyrenees and their foreland basins based upon geological, gravimetric and seismological data

Science.gov (United States)

Spangenberg, Hannah; Chevrot, Sébastien; Courrioux, Gabriel; Guillen, Antonio

2017-04-01

Our goal is to obtain a three-dimensional (3D) model of mass density and seismic velocities beneath the Pyrenees and their foreland basins (Aquitaine and Ebro basins), which accounts for all the geological and geophysical information available for that region. This model covers the whole mountain range going from the Atlantic Ocean to the Mediterranean Sea, and from the Iberian range to the Massif Central. The model is described by different units: the lower, middle, and upper crusts, the accretionary prism, and the consolidated and unconsolidated sediment layers. Furthermore, a sub-continental, serpentinized European mantle is introduced to describe the exhumed mantle bodies which are responsible for the positive Bouguer gravity anomalies in the western Pyrenees. We build a first 3D model using all the geological information: drill-hole surveys, seismic sections, and the geological map. We use the potential field method implemented in Geomodeler to interpolate these geological data. However, these data are too sparse to build a model that explains seismic travel times or gravimetric data, especially the Labourd and the St. Gaudens Bouguer gravity anomalies. In addition, inconsistencies between the different data sets exist. We thus add by trial and error additional data points, comparing modeled and observed Bouguer gravimetric anomalies. The result of this procedure is a 3D geological model that respects the geological data and explains the measured Bouguer gravimetric anomalies. In a second step, we use this model to determine the average density and seismic velocities inside each geological unit assuming uniform layers. To constrain the seismic velocities we use travel time picks extracted from the bulletin of the Pyrenean seismicity released by the Observatoire Midi Pyrenées. In a third step, we use this 3D a priori model in a Monte Carlo inversion to invert jointly gravimetric data and seismic travel times from the bulletin. This probabilistic approach

Tetra-n-butylammonium borohydride semiclathrate: a hybrid material for hydrogen storage.

Science.gov (United States)

Shin, Kyuchul; Kim, Yongkwan; Strobel, Timothy A; Prasad, P S R; Sugahara, Takeshi; Lee, Huen; Sloan, E Dendy; Sum, Amadeu K; Koh, Carolyn A

2009-06-11

In this study, we demonstrate that tetra-n-butylammonium borohydride [(n-C(4)H(9))(4)NBH(4)] can be used to form a hybrid hydrogen storage material. Powder X-ray diffraction measurements verify the formation of tetra-n-butylammonium borohydride semiclathrate, while Raman spectroscopic and direct gas release measurements confirm the storage of molecular hydrogen within the vacant cavities. Subsequent to clathrate decomposition and the release of physically bound H(2), additional hydrogen was produced from the hybrid system via a hydrolysis reaction between the water host molecules and the incorporated BH(4)(-) anions. The additional hydrogen produced from the hydrolysis reaction resulted in a 170% increase in the gravimetric hydrogen storage capacity, or 27% greater storage than fully occupied THF + H(2) hydrate. The decomposition temperature of tetra-n-butylammonium borohydride semiclathrate was measured at 5.7 degrees C, which is higher than that for pure THF hydrate (4.4 degrees C). The present results reveal that the BH(4)(-) anion is capable of stabilizing tetraalkylammonium hydrates.

The solid molecular hydrogens in the ordered state as function of density and ortho-para concentration: a far infrared study

International Nuclear Information System (INIS)

Jochemsen, R.

1978-01-01

In this thesis, the results of far infrared absorption experiments on solid molecular hydrogen and deuterium are presented. In Chapter I an introduction to the properties of solid molecular hydrogens in given. The experimental system used for the high pressure infrared measurements and the data handling procedures are discussed in Chapter II. The theory of infrared absorption and the averaging of the dipole moment over the motion of the molecules is contained in Chapter III. In this chapter a general sum rule for the integrated absorption is derived. The remaining chapters present the results of the measurements and the discussion. In Chapter IV the author concentrates on the phonon frequencies as a function of ortho-para concentration and density, while in Chapter V measuremtns of phonon lineshape and integrated absorption intensities are presented. Finally, in Chapter VI, a study is given of the phase transition in solid hydrogen and deuterium. This study provides accurate values for the transition temperature as a function of density (in deuterium) and as a function of ortho-para concentration (in hydrogen) as well as the dependence of the order parameter on the temperature and the ortho-para concentration. (Auth.)

Large-Scale Liquid Hydrogen Testing of Variable Density Multilayer Insulation with a Foam Substrate

Science.gov (United States)

Martin, J. J.; Hastings, L.

2001-01-01

The multipurpose hydrogen test bed (MHTB), with an 18-cu m liquid hydrogen tank, was used to evaluate a combination foam/multilayer combination insulation (MLI) concept. The foam element (Isofoam SS-1171) insulates during ground hold/ascent flight, and allowed a dry nitrogen purge as opposed to the more complex/heavy helium purge subsystem normally required. The 45-layer MLI was designed for an on-orbit storage period of 45 days. Unique WI features include a variable layer density, larger but fewer double-aluminized Mylar perforations for ascent to orbit venting, and a commercially established roll-wrap installation process that reduced assembly man-hours and resulted in a roust, virtually seamless MLI. Insulation performance was measured during three test series. The spray-on foam insulation (SOFI) successfully prevented purge gas liquefaction within the MLI and resulted in the expected ground hold heat leak of 63 W/sq m. The orbit hold tests resulted in heat leaks of 0.085 and 0.22 W/sq m with warm boundary temperatures of 164 and 305 K, respectively. Compared to the best previously measured performance with a traditional MLI system, a 41-percent heat leak reduction with 25 fewer MLI layers was achieved. The MHTB MLI heat leak is half that calculated for a constant layer density MLI.

Accuracy criteria recommended for the certification of gravimetric coal-mine-dust samplers

International Nuclear Information System (INIS)

Bowman, J.D.; Bartley, D.L.; Breuer, G.M.; Doemeny, L.J.; Murdock, D.J.

1984-07-01

Procedures for testing bias and precision of gravimetric coal-mine-dust sampling units are reviewed. Performance criteria for NIOSH certification of personal coal-mine dust samplers are considered. The NIOSH criterion is an accuracy of 25% at the 95% confidence interval. Size distributions of coal-mine-dust are discussed. Methods for determining size distributions are described. Sampling and sizing methods are considered. Cyclone parameter estimation is discussed. Bias computations for general sampling units are noted. Recommended procedures for evaluating bias and precision of gravimetric coal mine dust personal samplers are given. The authors conclude that when cyclones are operated at lower rates, the NIOSH accuracy criteria can be met

Storing Renewable Energy in the Hydrogen Cycle.

Science.gov (United States)

Züttel, Andreas; Callini, Elsa; Kato, Shunsuke; Atakli, Züleyha Özlem Kocabas

2015-01-01

An energy economy based on renewable energy requires massive energy storage, approx. half of the annual energy consumption. Therefore, the production of a synthetic energy carrier, e.g. hydrogen, is necessary. The hydrogen cycle, i.e. production of hydrogen from water by renewable energy, storage and use of hydrogen in fuel cells, combustion engines or turbines is a closed cycle. Electrolysis splits water into hydrogen and oxygen and represents a mature technology in the power range up to 100 kW. However, the major technological challenge is to build electrolyzers in the power range of several MW producing high purity hydrogen with a high efficiency. After the production of hydrogen, large scale and safe hydrogen storage is required. Hydrogen is stored either as a molecule or as an atom in the case of hydrides. The maximum volumetric hydrogen density of a molecular hydrogen storage is limited to the density of liquid hydrogen. In a complex hydride the hydrogen density is limited to 20 mass% and 150 kg/m(3) which corresponds to twice the density of liquid hydrogen. Current research focuses on the investigation of new storage materials based on combinations of complex hydrides with amides and the understanding of the hydrogen sorption mechanism in order to better control the reaction for the hydrogen storage applications.

Optimum extracted H- and D- current densities from gas-pressure-limited high-power hydrogen/deuterium tandem ion sources

International Nuclear Information System (INIS)

Hiskes, J.R.

1993-01-01

The tandem hydrogen/deuterium ion source is modelled for the purpose of identifying the maximum current densities that can be extracted subject to the gas-pressure constraints proposed for contemporary beam-line systems. Optimum useful extracted current densities are found to be in the range of approximately 7 to 10 mA cm -2 . The sensitivity of these current densities is examined subject to uncertainties in the underlying atomic/molecular rate processes; A principal uncertainty remains the quantification of the molecular vibrational distribution following H 3 + wall collisions

Comparative study on hydrogenation of propanal on Ni(111) and Cu(111) from density functional theory

Energy Technology Data Exchange (ETDEWEB)

An, Wei, E-mail: weian@sues.edu.cn; Men, Yong; Wang, Jinguo

2017-02-01

Highlights: • Hydrogenation of propanal is kinetically much faster on Ni(111) than Cu(111). • Hydroxyl route is prefered over alkoxy route on Ni(111). • Alkoxy route is prefered over hydroxyl route on Cu(111). • Activation barrier for hydrogenation of carbonyl is lowered by H-tunneling effect. • η{sup 2}(C,O)-adsorption mode is beneficial for hydrogenation/dehydrogenation of aldehyde. - Abstract: Using propanal as a probe molecule, we have comparatively investigated hydrogenation of carbonyl (C=O) in short carbon-chain aldehyde on Ni(111) and Cu(111) by means of periodic density functional theory. Our focus is in particular on the differentiation of reaction route in sequential hydrogenation on Ni(111) and Cu(111) following Langmuir–Hinshelwood mechanism. Strong binding with alkoxy intermediates has great impact on altering reaction pathways on the two surfaces, where hydroxyl route via 1-hydroxyl propyl intermediate is dominant on Ni(111), but alkoxy route via propoxyl intermediate is more likely on Cu(111) due to a higher activiation barrier of initial hydrogenation in hydroxyl route. In comparison, hydrogenation of carbonyl on Ni(111) is kinetically much faster than that on Cu(111) as a result of much lower activation barrier in rate-determining step (i.e., 13.2 vs 26.8 kcal/mol) of most favorable reaction pathways. Furthermore, the discrepancy in calculated and experimental barriers can be well explained by using the concept of H-tunneling effect on bond forming with H atoms during sequential hydrogenation. The different features of electronic structure exhibited by the two metal surfaces provide insight into their catalytic behaviors.

Gravimetric dust sampling for control purposes and occupational dust sampling.

CSIR Research Space (South Africa)

Unsted, AD

1997-02-01

Full Text Available Prior to the introduction of gravimetric dust sampling, konimeters had been used for dust sampling, which was largely for control purposes. Whether or not absolute results were achievable was not an issue since relative results were used to evaluate...

State density of valence-band tail and photoconductivity amorphous hydrogenated silicon

International Nuclear Information System (INIS)

Golikova, O.A.; Domashevskaya, Eh.P.; Mezdrogina, M.M.; Sorokina, K.L.; Terekhov, V.A.; Trostyanskij, S.N.

1991-01-01

Relation between photoconductivity and g(ε) mobility gap within the range adjoining to the top (mobility end) of valent zone (VZ tail) in a-Si:H film is studied. Stationary photoconductivity within spectral maximum range (χ=0.63μm) at Φ=10 17 photxcm -2 s -1 flow is measured. Density of g(ε) states are controlled using ultrasoft X-ray emission spectroscopy. It is shown, that correlation between photoconductivity and width of VZ tail may reflect the fact of their similar dependence o film heterogeneity: at the increase of share of microholes there occur both expansion of VZ tail and growth of number of respective hydrogen complexes and torn relations which results in drop of photoconductivity

Gravimetric determination of beryllium in the presence of transition metals

International Nuclear Information System (INIS)

Morozova, S.S.; Nikitina, L.V.; Dyatlova, N.M.; Serebryakova, G.V.; Vol'nyagina, A.N.

1976-01-01

A new organic reagent, nitrolotrimethylphosphonic acid (H 6 L), is proposed for gravimetric determination of beryllium. This complexone forms with Be hardly soluble complexes in a wide pH range. The separated complex has a composition Be 5 (HL) 2 x10H 2 O. To elucidate the possibility of determining Be in the presence of transition metals, often accompanying beryllium in alloys, interaction of cations of these metals with H 6 L at different pH has been studied potentiometrically. It has been established that at pH=1.1 in the presence of masking reagent (diethylentriaminopentacetic acid) Be can be determined when zinc, copper, chromium, cobalt, nickel, iron, manganese and cadmium are present. Gravimetric method of determining Be with the help of H 6 L has been developed. The weight form is obtained by drying the precipitate which reduces considerably the time of analysis and the error of determination

Hydrogen bonding interactions between ethylene glycol and water: density, excess molar volume, and spectral study

Institute of Scientific and Technical Information of China (English)

ZHANG JianBin; ZHANG PengYan; MA Kai; HAN Fang; CHEN GuoHua; WEI XiongHui

2008-01-01

Studies of the density and the excess molar volume of ethylene glycol (EG)-water mixtures were carried out to illustrate the hydrogen bonding interactions of EG with water at different temperatures, The re-sults suggest that a likely complex of 3 ethylene glycol molecules bonding with 4 water molecules in an ethylene glycol-water mixture (EGW) is formed at the maximal excess molar volume, which displays stronger absorption capabilities for SO2 when the concentration of SO2 reaches 400×106 (volume ratio) in the gas phase. Meanwhile, FTIR and UV spectra of EGWs were recorded at various EG concentra-tions to display the hydrogen bonding interactions of EG with water. The FTIR spectra show that the stretching vibrational band of hydroxyl in the EGWs shifts to a lower frequency and the bending vibra-tional band of water shifts to a higher frequency with increasing the EG concentration, respectively. Furthermore, the UV spectra show that the electron transferring band of the hydroxyl oxygen in EG shows red shift with increasing the EG concentration. The frequency shifts in FTIR spectra and the shifts of absorption bands in UV absorption spectra of EGWs are interpreted as the strong hydrogen bonding interactions of the hydrogen atoms in water with the hydroxyl oxygen atoms of EG.

Hydrogen bonding interactions between ethylene glycol and water:density,excess molar volume,and spectral study

Institute of Scientific and Technical Information of China (English)

2008-01-01

Studies of the density and the excess molar volume of ethylene glycol (EG)-water mixtures were carried out to illustrate the hydrogen bonding interactions of EG with water at different temperatures. The re-sults suggest that a likely complex of 3 ethylene glycol molecules bonding with 4 water molecules in an ethylene glycol-water mixture (EGW) is formed at the maximal excess molar volume,which displays stronger absorption capabilities for SO2 when the concentration of SO2 reaches 400×10?6 (volume ratio) in the gas phase. Meanwhile,FTIR and UV spectra of EGWs were recorded at various EG concentra-tions to display the hydrogen bonding interactions of EG with water. The FTIR spectra show that the stretching vibrational band of hydroxyl in the EGWs shifts to a lower frequency and the bending vibra-tional band of water shifts to a higher frequency with increasing the EG concentration,respectively. Furthermore,the UV spectra show that the electron transferring band of the hydroxyl oxygen in EG shows red shift with increasing the EG concentration. The frequency shifts in FTIR spectra and the shifts of absorption bands in UV absorption spectra of EGWs are interpreted as the strong hydrogen bonding interactions of the hydrogen atoms in water with the hydroxyl oxygen atoms of EG.

Gravimetric determination of the iodine number of carbon black

International Nuclear Information System (INIS)

Murphy, L.J. Jr.

1991-01-01

This paper discusses a gravimetric method for the determination of the iodine adsorption number of carbon black. It comprises determining the concentration of an accurately weighed iodine blank solution by adding a standardized titrant to the iodine solution until a titration endpoint is reached and determining the concentration of the iodine solution by accurately weighing the amount of the standardized titrant necessary to reach the endpoint, accurately weighing an amount of carbon black and adding an appropriate amount of an accurately weighed portion of the iodine solution, equilibrating the carbon black-iodine solution mixture, adding the standardized titrant to an accurately weighed portion of the supernatant from the carbon black-iodine mixture until a titration endpoint is reached and determining the concentration of the supernatant by accurately weighing the amount of the standardized titrant necessary to reach the endpoint, wherein the titration endpoint of the supernatant is obtained using an indicating and a reference electrode, and calculating the iodine adsorption number of the carbon black based on the gravimetrically determined concentration of the titrant, the iodine solution, and the supernatant

Determination of uranium in uranyl nitrate solutions of nuclear grade quality - Gravimetric method

International Nuclear Information System (INIS)

1990-01-01

This international Standard specifies a precise and accurate gravimetric method for determining the uranium content in uranyl nitrate product solutions of nuclear grade quality at concentrations above 100 g/l of uranium. Non-volatile impurities influence the accuracy of the method. Uranyl nitrate is converted into uranium octoxide (U 3 O 8 ) by ignition in air to constant mass at 900 deg. C ± 10 deg. C. Calculation of the uranium content in the sample using a gravimetric conversion factor which depends on the isotopic composition of the uranium. The isotopic composition is determined by mass spectrometry

Gravimetric study on the western edge of the Rio de La Plata craton

International Nuclear Information System (INIS)

Rame, G; Miro, R

2010-01-01

This work is about the gravimetric study on the western edge of the Rio de la Plata craton which belongs to the Gondwana fragment in the south of Brazil, Uruguay and central eastern of Argentina. The work consisted of a survey of 332 gravimetric and topographic stations extended from the western edge of the Sierra Chica de Cordoba up to 200 km east on the pampas. The gravity values observed (gobs) were obtained using a LaCoste §Rom berg gravimeter G-961 and 200T Sodin both with 0.01 mGal, referred to IGSN71 (International Gravity Standardization Net 1971) network

Vibrational signatures of cation-anion hydrogen bonding in ionic liquids: a periodic density functional theory and molecular dynamics study.

Science.gov (United States)

Mondal, Anirban; Balasubramanian, Sundaram

2015-02-05

Hydrogen bonding in alkylammonium based protic ionic liquids was studied using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. Normal-mode analysis within the harmonic approximation and power spectra of velocity autocorrelation functions were used as tools to obtain the vibrational spectra in both the gas phase and the crystalline phases of these protic ionic liquids. The hydrogen bond vibrational modes were identified in the 150-240 cm(-1) region of the far-infrared (far-IR) spectra. A blue shift in the far-IR mode was observed with an increasing number of hydrogen-bonding sites on the cation; the exact peak position is modulated by the cation-anion hydrogen bond strength. Sub-100 cm(-1) bands in the far-IR spectrum are assigned to the rattling motion of the anions. Calculated NMR chemical shifts of the acidic protons in the crystalline phase of these salts also exhibit the signature of cation-anion hydrogen bonding.

(MnH9)2- salts with high hydrogen contents and unusual bonding: Density functional calculations

Science.gov (United States)

Gupta, Michèle; Gupta, Raju P.; Singh, D. J.

2009-12-01

The compounds BaReH9 and K2ReH9 are the prototypical members of a family of hydrides described as salts of (ReH9)2- anions. The structures reflect highly unusual chemistry with short H-H distances and at the same time very high ninefold coordination of Re by hydrogen atoms. This is of interest because of the resulting high hydrogen-to-metal ratios, 4.5 in BaReH9 and 3 in K2ReH9 . Here we use density functional calculations to investigate possible new members of this family including both Re and Mn compounds. We find that although SrReH9 and CaReH9 have not been synthesized these are very likely to be stable compounds that may be prepared in a similar manner as the Ba analog. We also find that the manganese counterparts, including K2MnH9 , are also likely to be stable and have thermodynamic properties consistent with requirements for hydrogen storage.

Decomposition of Copper (II) Sulfate Pentahydrate: A Sequential Gravimetric Analysis.

Science.gov (United States)

Harris, Arlo D.; Kalbus, Lee H.

1979-01-01

Describes an improved experiment of the thermal dehydration of copper (II) sulfate pentahydrate. The improvements described here are control of the temperature environment and a quantitative study of the decomposition reaction to a thermally stable oxide. Data will suffice to show sequential gravimetric analysis. (Author/SA)

The influence of a spatial displacement of hydrogen on the reactivity and neutron flux density distribution in a ZrH-moderated reactor

International Nuclear Information System (INIS)

Doehler, J.; Bartsch, G.

1975-08-01

The effect of changes of the hydrogen concentration in uranium zirconium hydride resulting from spatially varying temperatures on the reactivity and neutron flux distribution of the BER-II core (power 2.2 MW) are shown. Furthermore, in general, the influence of the hydrogen concentration on important reactor parameters of a fuel cell of BER-II is calculated and presented. A comparison of the diffusion calculation with spatially constant hydrogen concentrations shows a decrease of the thermal neutron flux density in regions with a low hydrogen content (high temperature) and inversely an increase for high hydrogen concentrations. Furthermore, a change of the effective multiplication factor by 0.6% was found in the case of a spatially varying hydrogen concentration as compared with the calculation for a constant concentration. (orig.) [de

Hydrogen storage materials at INCDTIM Cluj - Napoca. Achievements and outlook

International Nuclear Information System (INIS)

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

2005-01-01

Introducing hydrogen fuel to the transportation area poses key challenges for research on hydrogen storage materials. As one of the most promising alternative fuels for transport, hydrogen offers the long-term potential for an energy system that produces near-zero emissions and can be based on renewable energy sources. The Joint Research Centre (JRC), a Directorate-General of the European Commission fosters research for safe methods for storing hydrogen, for use in fuel cells or modified combustion engines in cars and other road vehicles. Hydrogen storage materials focused, in the last 30 years, the attention of the research programs in the many countries. Due to the fast development of the fuel cell technologies, the subject is much more stringent now. For mobile applications to fuel cell powered vehicles, on-board storage materials with hydrogen absorption/desorption capacities of at least 6.5%H are needed. For an efficient storage system the goal is to pack hydrogen as close as possible. Hydrogen storage implies the reduction of an enormous volume of H 2 gas (1 kg of gas has a volume of 11 m 3 at ambient temperature and pressure). To reach the high volumetric and gravimetric density suitable for mobile applications, basically six reversible storage methods are known today according to A. Zuettel: 1) high-pressure gas cylinders, 2) liquid in cryogenic tanks, 3) physisorbed on a solid surface e.g. carbon-nanotubes 4) metal hydrides of the metals or intermetallic compounds. 5) complex hydrides of light elements such as alanates and boranates, 6) storage via chemical reactions. Recently, the storage as hydrogen hydrates at 50 bar using promoters has been reported by F. Peetom. The paper discusses the feasibility of each of these storing alternatives. The authors presents their experience and results of the work in the field of metal hydrides and application obtained since 1975. All classes of hydrogen absorbing intermetallic compounds were studied: LaNi 5 , FeTi, Ti

Precise and efficient evaluation of gravimetric quantities at arbitrarily scattered points in space

Science.gov (United States)

Ivanov, Kamen G.; Pavlis, Nikolaos K.; Petrushev, Pencho

2017-12-01

Gravimetric quantities are commonly represented in terms of high degree surface or solid spherical harmonics. After EGM2008, such expansions routinely extend to spherical harmonic degree 2190, which makes the computation of gravimetric quantities at a large number of arbitrarily scattered points in space using harmonic synthesis, a very computationally demanding process. We present here the development of an algorithm and its associated software for the efficient and precise evaluation of gravimetric quantities, represented in high degree solid spherical harmonics, at arbitrarily scattered points in the space exterior to the surface of the Earth. The new algorithm is based on representation of the quantities of interest in solid ellipsoidal harmonics and application of the tensor product trigonometric needlets. A FORTRAN implementation of this algorithm has been developed and extensively tested. The capabilities of the code are demonstrated using as examples the disturbing potential T, height anomaly ζ , gravity anomaly Δ g , gravity disturbance δ g , north-south deflection of the vertical ξ , east-west deflection of the vertical η , and the second radial derivative T_{rr} of the disturbing potential. After a pre-computational step that takes between 1 and 2 h per quantity, the current version of the software is capable of computing on a standard PC each of these quantities in the range from the surface of the Earth up to 544 km above that surface at speeds between 20,000 and 40,000 point evaluations per second, depending on the gravimetric quantity being evaluated, while the relative error does not exceed 10^{-6} and the memory (RAM) use is 9.3 GB.

Some technical details concerning a new method of gravimetric-seismic inversion

DEFF Research Database (Denmark)

Strykowski, Gabriel

1999-01-01

In this paper a number of technical details related to a new method of gravimetric-seismic inversion, which is still under development, are explained. Although the present contribution aims on providing general statements on how to formulate and solve complex gravimetric-seismic modeling; problems......, the inspiration comes from the practical modeling problems in the area of Jutland peninsula (Denmark). More specifically, the methodological aspects of the proposed inversion method are illustrated on a problem of 3D modeling of the intra crustal intrusion associated with the Silkeborg Gravity High. The existing...... refraction seismic profile locates the source of the anomaly in depths 10 km - 18 km. In an earlier publication, (Strykowski, 1998), and for the same test area, a method of complex geological stripping is described. The present contribution is a continuation of this paper in the direction of inversion...

Electron density profile measurements from hydrogen line intensity ratio method in Versatile Experimental Spherical Torus

Energy Technology Data Exchange (ETDEWEB)

Kim, YooSung; Shi, Yue-Jiang, E-mail: yjshi@snu.ac.kr; Yang, Jeong-hun; Kim, SeongCheol; Kim, Young-Gi; Dang, Jeong-Jeung; Yang, Seongmoo; Jo, Jungmin; Chung, Kyoung-Jae [Department of Nuclear Engineering, Seoul National University, Seoul 151-744 (Korea, Republic of); Oh, Soo-Ghee [Division of Energy Systems Research, Ajou University, Suwon 442-749 (Korea, Republic of); Hwang, Y. S. [Department of Nuclear Engineering, Seoul National University, Seoul 151-744 (Korea, Republic of); Center for Advanced Research in Fusion Reactor Engineering, Seoul National University, Seoul 151-744 (Korea, Republic of)

2016-11-15

Electron density profiles of versatile experiment spherical torus plasmas are measured by using a hydrogen line intensity ratio method. A fast-frame visible camera with appropriate bandpass filters is used to detect images of Balmer line intensities. The unique optical system makes it possible to take images of H{sub α} and H{sub β} radiation simultaneously, with only one camera. The frame rate is 1000 fps and the spatial resolution of the system is about 0.5 cm. One-dimensional local emissivity profiles have been obtained from the toroidal line of sight with viewing dumps. An initial result for the electron density profile is presented and is in reasonable agreement with values measured by a triple Langmuir probe.

Screening based approach and dehydrogenation kinetics for MgH2: Guide to find suitable dopant using first-principles approach.

Science.gov (United States)

Kumar, E Mathan; Rajkamal, A; Thapa, Ranjit

2017-11-14

First-principles based calculations are performed to investigate the dehydrogenation kinetics considering doping at various layers of MgH 2 (110) surface. Doping at first and second layer of MgH 2 (110) has a significant role in lowering the H 2 desorption (from surface) barrier energy, whereas the doping at third layer has no impact on the barrier energy. Molecular dynamics calculations are also performed to check the bonding strength, clusterization, and system stability. We study in details about the influence of doping on dehydrogenation, considering the screening factors such as formation enthalpy, bulk modulus, and gravimetric density. Screening based approach assist in finding Al and Sc as the best possible dopant in lowering of desorption temperature, while preserving similar gravimetric density and Bulk modulus as of pure MgH 2 system. The electron localization function plot and population analysis illustrate that the bond between Dopant-Hydrogen is mainly covalent, which weaken the Mg-Hydrogen bonds. Overall we observed that Al as dopant is suitable and surface doping can help in lowering the desorption temperature. So layer dependent doping studies can help to find the best possible reversible hydride based hydrogen storage materials.

Permeation of "Hydromer" Film: An Elastomeric Hydrogen-Capturing Biopolymer.

Energy Technology Data Exchange (ETDEWEB)

Karnesky, Richard A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Friddle, Raymond William [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Whaley, Josh A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Smith, Geoffrey [New Mexico State Univ., Las Cruces, NM (United States)

2015-12-01

This report analyzes the permeation resistance of a novel and proprietary polymer coating for hydrogen isotope resistance that was developed by New Mexico State University. Thermal gravimetric analysis and thermal desoprtion spectroscopy show the polymer is stable thermally to approximately 250 deg C. Deuterium gas-driven permeation experiments were conducted at Sandia to explore early evidence (obtained using Brunauer - Emmett - Teller) of the polymer's strong resistance to hydrogen. With a relatively small amount of the polymer in solution (0.15%), a decrease in diffusion by a factor of 2 is observed at 100 and 150 deg C. While there was very little reduction in permeability, the preliminary findings reported here are meant to demonstrate the sensitivity of Sandia's permeation measurements and are intended to motivate the future exploration of thicker barriers with greater polymer coverage.

Rare Earth Borohydrides—Crystal Structures and Thermal Properties

Directory of Open Access Journals (Sweden)

Christoph Frommen

2017-12-01

Full Text Available Rare earth (RE borohydrides have received considerable attention during the past ten years as possible hydrogen storage materials due to their relatively high gravimetric hydrogen density. This review illustrates the rich chemistry, structural diversity and thermal properties of borohydrides containing RE elements. In addition, it highlights the decomposition and rehydrogenation properties of composites containing RE-borohydrides, light-weight metal borohydrides such as LiBH4 and additives such as LiH.

A mathematical model of the maximum power density attainable in an alkaline hydrogen/oxygen fuel cell

Science.gov (United States)

Kimble, Michael C.; White, Ralph E.

1991-01-01

A mathematical model of a hydrogen/oxygen alkaline fuel cell is presented that can be used to predict the polarization behavior under various power loads. The major limitations to achieving high power densities are indicated and methods to increase the maximum attainable power density are suggested. The alkaline fuel cell model describes the phenomena occurring in the solid, liquid, and gaseous phases of the anode, separator, and cathode regions based on porous electrode theory applied to three phases. Fundamental equations of chemical engineering that describe conservation of mass and charge, species transport, and kinetic phenomena are used to develop the model by treating all phases as a homogeneous continuum.

Promising SiC support for Pd catalyst in selective hydrogenation of acetylene to ethylene

Science.gov (United States)

Guo, Zhanglong; Liu, Yuefeng; Liu, Yan; Chu, Wei

2018-06-01

In this study, SiC supported Pd nanoparticles were found to be an efficient catalyst in acetylene selective hydrogenation reaction. The ethylene selectivity can be about 20% higher than that on Pd/TiO2 catalyst at the same acetylene conversion at 90%. Moreover, Pd/SiC catalyst showed a stable catalytic life at 65 °C with 80% ethylene selectivity. With the detailed characterization using temperature-programmed reduction (H2-TPR), powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), N2 adsorption/desorption analysis, CO-chemisorption and thermo-gravimetric analysis (TGA), it was found that SiC owns a lower surface area (22.9 m2/g) and a broad distribution of meso-/macro-porosity (from 5 to 65 nm), which enhanced the mass transfer during the chemical process at high reaction rate and decreased the residence time of ethylene on catalyst surface. Importantly, SiC support has the high thermal conductivity, which favored the rapid temperature homogenization through the catalyst bed and inhabited the over-hydrogenation of acetylene. The surface electronic density of Pd on Pd/SiC catalyst was higher than that on Pd/TiO2, which could promote desorption of ethylene from surface of the catalyst. TGA results confirmed a much less coke deposition on Pd/SiC catalyst.

Comparison of Metal-on-Metal Hip Simulator Wear Measured by Gravimetric, CMM and Optical Profiling Methods

OpenAIRE

Alberts, Larry Russell; Martinez-Nogues, Vanesa; Cook, Richard; Maul, Christian; Bills, Paul J.; Racasan, Radu; Stolz, Martin; Wood, Robert J. K.

2018-01-01

Simulation of wear in artificial joint implants is critical for evaluating implant designs and materials. Traditional protocols employ the gravimetric method to determine the loss of material by measuring the weight of the implant components before and after various test intervals and after the completed test. However, the gravimetric method cannot identify the location, area coverage or maximum depth of the wear and it has difficulties with proportionally small weight changes in relatively h...

Erosion of water-based cements evaluated by volumetric and gravimetric methods.

Science.gov (United States)

Nomoto, Rie; Uchida, Keiko; Momoi, Yasuko; McCabe, John F

2003-05-01

To compare the erosion of glass ionomer, zinc phosphate and polycarboxylate cements using volumetric and gravimetric methods. For the volumetric method, the eroded depth of cement placed in a cylindrical cavity in PMMA was measured using a dial gauge after immersion in an eroding solution. For the gravimetric method, the weight of the residue of a solution in which a cylindrical specimen had been immersed was measured. 0.02 M lactic acid solution (0.02 M acid) and 0.1 M lactic acid/sodium lactate buffer solution (0.1 M buffer) were used as eroding solutions. The pH of both solutions was 2.74 and the test period was 24 h. Ranking of eroded depth and weight of residue was polycarboxylate>zinc phosphate>glass ionomers. Differences in erosion were more clearly defined by differences in eroded depth than differences in weight of residue. In 0.02 M acid, the erosion of glass ionomer using the volumetric method was effected by the hygroscopic expansion. In 0.1 M buffer, the erosion for polycarboxylate and zinc phosphate using the volumetric method was much greater than that using the gravimetric method. This is explained by cryo-SEM images which show many holes in the surface of specimens after erosion. It appears that zinc oxide is dissolved leaving a spongy matrix which easily collapses under the force applied to the dial gauge during measurement. The volumetric method that employs eroded depth of cement using a 0.1 M buffer solution is able to quantify erosion and to make material comparisons.

Novel (MnH9)2- salts with high hydrogen contents and unusual bonding: density functional calculations

Energy Technology Data Exchange (ETDEWEB)

Gupta, Michele [Universite Paris Sud, Orsay, France; Gupta, Raju [CEA, Saclay, France; Singh, David J [ORNL

2009-01-01

The compounds BaReH{sub 9} and K{sub 2}ReH{sub 9} are the prototypical members of a family of hydrides described as salts of (ReH{sub 9}){sup 2-} anions. The structures reflect highly unusual chemistry with short H-H distances and at the same time very high ninefold coordination of Re by hydrogen atoms. This is of interest because of the resulting high hydrogen-to-metal ratios, 4.5 in BaReH{sub 9} and 3 in K{sub 2}ReH{sub 9}. Here we use density functional calculations to investigate possible new members of this family including both Re and Mn compounds. We find that although SrReH{sub 9} and CaReH{sub 9} have not been synthesized these are very likely to be stable compounds that may be prepared in a similar manner as the Ba analog. We also find that the manganese counterparts, including K{sub 2}MnH{sub 9}, are also likely to be stable and have thermodynamic properties consistent with requirements for hydrogen storage.

High-resolution proxies for wood density variations in Terminalia superba

Science.gov (United States)

De Ridder, Maaike; Van den Bulcke, Jan; Vansteenkiste, Dries; Van Loo, Denis; Dierick, Manuel; Masschaele, Bert; De Witte, Yoni; Mannes, David; Lehmann, Eberhard; Beeckman, Hans; Van Hoorebeke, Luc; Van Acker, Joris

2011-01-01

Background and Aims Density is a crucial variable in forest and wood science and is evaluated by a multitude of methods. Direct gravimetric methods are mostly destructive and time-consuming. Therefore, faster and semi- to non-destructive indirect methods have been developed. Methods Profiles of wood density variations with a resolution of approx. 50 µm were derived from one-dimensional resistance drillings, two-dimensional neutron scans, and three-dimensional neutron and X-ray scans. All methods were applied on Terminalia superba Engl. & Diels, an African pioneer species which sometimes exhibits a brown heart (limba noir). Key Results The use of X-ray tomography combined with a reference material permitted direct estimates of wood density. These X-ray-derived densities overestimated gravimetrically determined densities non-significantly and showed high correlation (linear regression, R2 = 0·995). When comparing X-ray densities with the attenuation coefficients of neutron scans and the amplitude of drilling resistance, a significant linear relation was found with the neutron attenuation coefficient (R2 = 0·986) yet a weak relation with drilling resistance (R2 = 0·243). When density patterns are compared, all three methods are capable of revealing the same trends. Differences are mainly due to the orientation of tree rings and the different characteristics of the indirect methods. Conclusions High-resolution X-ray computed tomography is a promising technique for research on wood cores and will be explored further on other temperate and tropical species. Further study on limba noir is necessary to reveal the causes of density variations and to determine how resistance drillings can be further refined. PMID:21131386

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

Energy Technology Data Exchange (ETDEWEB)

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

2011-07-14

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

Study of the input-side subsurface reorganization vs. the outside current density in hydrogen permeation under constant cell voltage through iron membrane according to RHC concept

International Nuclear Information System (INIS)

DePetris-Wery, M.; Wery, S.; Catonne, J.C.

2010-01-01

In this work, hydrogen permeation tests were performed on pure iron membrane in 1 M sodium hydroxide at 298 K, subjected to hydrogen charging under 'quasi-potentiostatic' polarization conditions, i.e. constant cell voltage applied between the cathode (membrane entry side) and the anode (counter electrode), which is a typical situation during metal electrodeposition or cathodic degreasing on steel in metal finishing industry. Two consecutive charging-discharging runs were carried out. Prolonged hydrogen charging under quasi-potentiostatic polarization was investigated and the change of cathodic current density (i in ) chg and electrode potential (E in ) chg as well as permeation current density (i out ) chg were analysed. Three singularities were underlined for each experiment: (i) the curve (i in ) chg = f((E in ) chg ), illustrating the inverse of hydrogen charge resistance R HC -1 evolution which was negative, equal to zero and then became positive; (ii) quasi-periodic instabilities during the R HC -1 zero period, probably induced by atomic reorganizing due to subsurface hydrogen insertion in the input-side; (iii) the same ratio (i out ) chg /(i in ) chg = -6 x 10 -5 . During discharge runs, both sides of the membrane were polarized at the same potential (E in ) dischg = (E out ) dischg = -0.285 V/Hg/HgO/NaOH 1 M and the current densities, (i in ) dischg and (i out ) dischg which corresponded to the desorption rates of hydrogen, were measured. The following correlation (i out ) dischg vs.(i in ) dischg = -6 x 10 -5 was confirmed leading us to introduce the R HC -1 mirror concept to observe the input-side subsurface reorganization by the survey of its potential vs. outside current density during the hydrogen charge. Thus, this R HC -1 mirror concept showed: (i) a non-stop and irreversible progress in the subsurface reorganization during the two permeations; (ii) a probable structural evolution to a stable subsurface structure, the only condition of a real steady

Use of sulfoxides for extraction-gravimetric determination of niobium and tantalum

International Nuclear Information System (INIS)

Nikolaev, A.I.; Babkin, A.G.; Tkachenko, V.G.

1977-01-01

An extraction-gravimetrical technique has been developed for determination of niobium and tantalum. The technique permits simultaneous extraction of tantalum and its concentrating in the aqueous phase; the range of Ta concentrations determined is essentially wider than in case of the routine gravimetric methods. The technique is based upon the fact, that tantalum is extracted by sulfoxides from fluorine-sulphate solutions at lower concentration of Hf and at lower ratios between the volumes of organic and aqueous phases than niobium. Two subsequent extractions by 1M sulfoxide solutions provide for practically complete transfer of tantalum into the organic phase, whereas extraction of niobium is only 3-20%. Sufficient recovery of Ta and Nb from organic phases is provided by re-extraction by NH 4 F solution. The technique is suitable for niobium and tantalum determination at the ratios of their pentoxides from 1:100 to 100:1. The disturbing influence of Fe(3) is suppressed by reductions to Fe(2)

Gravimetric determination of uranium(VI) and thorium(IV) with substituted pyrazolones

International Nuclear Information System (INIS)

Arora, H.C.; Rao, G.N.

1981-01-01

4-Acylpyrazolones like 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (PMBP), 1-phenyl-3-methyl-4-p-nitrobenzoyl-5-pyrazolone (PMNP) and 1-phenyl-3-methyl-4-(3,5 dinitrobenzoyl)-5-pyrazolone (PMDP) have been synthesized and developed as gravimetric reagents for the determination of U(VI) and Th(IV). Uranium(VI) is almost quantitatively precipitated with PMBP, PMNP, and PMDP at pH 2.20, 1.85 and 1.70 respectively. The pH values for the complete precipitation of thorium(IV) with PMBP, PMNP and PMDP are 2.90, 2.75 and 2.50 respectively. PMBP has proved to be an efficient ligand for gravimetric determination of U(VI) by direct weighing method after drying at 100 +- 10 deg C. The percentage relative error varies from 0.4 to 1.6 in the determination of U(VI) by this method. The effect of a number of interfering ions on the precipitation of U(VI) by PMBP has been reported. (author)

Stark broadening of the Hα line of hydrogen at low densities: quantal and semiclassical results

International Nuclear Information System (INIS)

Stehle, C.; Feautrier, N.

1984-01-01

Stark profiles of the Hα lines of hydrogen are computed at low densities in the 'impact' theory. By a comparison with quantal results, it is shown that a simple semiclassical perturbational approach with appropriate cutoffs is sufficient to give accurate profiles in the line centre. Neglecting the natural broadening and the fine-structure effects, the authors prove that the electronic broadening is negligible and that the profile has a Lorentzian shape. An analytical expression of the half width is given. (author)

Detection of atomic and molecular hydrogen in post-discharge by resonant multi-photo-ionisation. Determination of absolute atomic densities

International Nuclear Information System (INIS)

Persuy, Philippe

1990-01-01

Within the frame of studies on devices for physical vapour deposition, and on phenomena leading to these depositions, this research thesis reports the development of a laser-diagnosis based on the phenomenon of resonant multi-photo-ionisation, and an attempt to obtain from it values of the absolute concentration of atomic hydrogen. After some recalls on the diversity of multi-photon phenomena, their theoretical and experimental evolutions, and on the particular role of hydrogen, the author reports experiments performed at 307.7 and 364.7 nm which respectively addressed the post-discharge detection of molecular hydrogen and of atomic hydrogen. A model is presented which addresses the interaction volume, and results of experiments of atom multi-photo-ionisation are reported. One of the results of this model is an assessment of the cross-section of the excitation with three photons of the hydrogen atom. This result is then used to determine the absolute density of atoms in fundamental state for different discharge conditions. Finally, the author presents the calculation software and some curve examples displaying the evolution of the number of ions and of excited states within the interaction volume [fr

Cathodic hydrogen charging of zinc

International Nuclear Information System (INIS)

Panagopoulos, C.N.; Georgiou, E.P.; Chaliampalias, D.

2014-01-01

Highlights: •Incorporation of hydrogen into zinc and formation of zinc hydrides. •Investigation of surface residual stresses due to hydrogen diffusion. •Effect of hydrogen diffusion and hydride formation on mechanical properties of Zn. •Hydrogen embrittlement phenomena in zinc. -- Abstract: The effect of cathodic hydrogen charging on the structural and mechanical characteristics of zinc was investigated. Hardening of the surface layers of zinc, due to hydrogen incorporation and possible formation of ZnH 2 , was observed. In addition, the residual stresses brought about by the incorporation of hydrogen atoms into the metallic matrix, were calculated by analyzing the obtained X-ray diffraction patterns. Tensile testing of the as-received and hydrogen charged specimens revealed that the ductility of zinc decreased significantly with increasing hydrogen charging time, for a constant value of charging current density, and with increasing charging current density, for a constant value of charging time. However, the ultimate tensile strength of this material was slightly affected by the hydrogen charging procedure. The cathodically charged zinc exhibited brittle transgranular fracture at the surface layers and ductile intergranular fracture at the deeper layers of the material

Hydrogen vacancies facilitate hydrogen transport kinetics in sodium hydride nanocrystallites

NARCIS (Netherlands)

Singh, S.; Eijt, S.W.H.

2008-01-01

We report ab initio calculations based on density-functional theory, of the vacancy-mediated hydrogen migration energy in bulk NaH and near the NaH(001) surface. The estimated rate of the vacancy mediated hydrogen transport, obtained within a hopping diffusion model, is consistent with the reaction

Line profiles of hydrogenic ions from high-temperature and high-density plasmas

International Nuclear Information System (INIS)

Hou Qing; Li Jianming

1991-01-01

Applying the Hooper's first-order theory, the authors calculate the static micro-electric field distributions in plasmas containing various multiply-charged ions. The influences of the impurity concentrations on the micro electric field distributions and on the Lyman profiles (n→1) from hydrogenic ions are analysed. Based on the optical-thin line profiles, the radiation transfer equation in sphere plasmas with various optical depths is solved. The results confirm that the opacity-broadening of the line profiles has almost no effect on the separation of Lyman β splitted peaks. Such separation is determined by electric field at which the static micro-electric field distribution has a maximum. The separation can be utilized for spatially resolved and temporally resolved density diagnostic of fusion plasmas

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-12-01

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

A hydrogen-ferric ion rebalance cell operating at low hydrogen concentrations for capacity restoration of iron-chromium redox flow batteries

Science.gov (United States)

Zeng, Y. K.; Zhao, T. S.; Zhou, X. L.; Zou, J.; Ren, Y. X.

2017-06-01

To eliminate the adverse impacts of hydrogen evolution on the capacity of iron-chromium redox flow batteries (ICRFBs) during the long-term operation and ensure the safe operation of the battery, a rebalance cell that reduces the excessive Fe(III) ions at the positive electrolyte by using the hydrogen evolved from the negative electrolyte is designed, fabricated and tested. The effects of the flow field, hydrogen concentration and H2/N2 mixture gas flow rate on the performance of the hydrogen-ferric ion rebalance cell have been investigated. Results show that: i) an interdigitated flow field based rebalance cell delivers higher limiting current densities than serpentine flow field based one does; ii) the hydrogen utilization can approach 100% at low hydrogen concentrations (≤5%); iii) the apparent exchange current density of hydrogen oxidation reaction in the rebalance cell is proportional to the square root of the hydrogen concentration at the hydrogen concentration from 1.3% to 50%; iv) a continuous rebalance process is demonstrated at the current density of 60 mA cm-2 and hydrogen concentration of 2.5%. Moreover, the cost analysis shows that the rebalance cell is just approximately 1% of an ICRFB system cost.

Humidity and Gravimetric Equivalency Adjustments for Nephelometer-Based Particulate Matter Measurements of Emissions from Solid Biomass Fuel Use in Cookstoves

Science.gov (United States)

Soneja, Sutyajeet; Chen, Chen; Tielsch, James M.; Katz, Joanne; Zeger, Scott L.; Checkley, William; Curriero, Frank C.; Breysse, Patrick N.

2014-01-01

Great uncertainty exists around indoor biomass burning exposure-disease relationships due to lack of detailed exposure data in large health outcome studies. Passive nephelometers can be used to estimate high particulate matter (PM) concentrations during cooking in low resource environments. Since passive nephelometers do not have a collection filter they are not subject to sampler overload. Nephelometric concentration readings can be biased due to particle growth in high humid environments and differences in compositional and size dependent aerosol characteristics. This paper explores relative humidity (RH) and gravimetric equivalency adjustment approaches to be used for the pDR-1000 used to assess indoor PM concentrations for a cookstove intervention trial in Nepal. Three approaches to humidity adjustment performed equivalently (similar root mean squared error). For gravimetric conversion, the new linear regression equation with log-transformed variables performed better than the traditional linear equation. In addition, gravimetric conversion equations utilizing a spline or quadratic term were examined. We propose a humidity adjustment equation encompassing the entire RH range instead of adjusting for RH above an arbitrary 60% threshold. Furthermore, we propose new integrated RH and gravimetric conversion methods because they have one response variable (gravimetric PM2.5 concentration), do not contain an RH threshold, and is straightforward. PMID:24950062

Humidity and gravimetric equivalency adjustments for nephelometer-based particulate matter measurements of emissions from solid biomass fuel use in cookstoves.

Science.gov (United States)

Soneja, Sutyajeet; Chen, Chen; Tielsch, James M; Katz, Joanne; Zeger, Scott L; Checkley, William; Curriero, Frank C; Breysse, Patrick N

2014-06-19

Great uncertainty exists around indoor biomass burning exposure-disease relationships due to lack of detailed exposure data in large health outcome studies. Passive nephelometers can be used to estimate high particulate matter (PM) concentrations during cooking in low resource environments. Since passive nephelometers do not have a collection filter they are not subject to sampler overload. Nephelometric concentration readings can be biased due to particle growth in high humid environments and differences in compositional and size dependent aerosol characteristics. This paper explores relative humidity (RH) and gravimetric equivalency adjustment approaches to be used for the pDR-1000 used to assess indoor PM concentrations for a cookstove intervention trial in Nepal. Three approaches to humidity adjustment performed equivalently (similar root mean squared error). For gravimetric conversion, the new linear regression equation with log-transformed variables performed better than the traditional linear equation. In addition, gravimetric conversion equations utilizing a spline or quadratic term were examined. We propose a humidity adjustment equation encompassing the entire RH range instead of adjusting for RH above an arbitrary 60% threshold. Furthermore, we propose new integrated RH and gravimetric conversion methods because they have one response variable (gravimetric PM2.5 concentration), do not contain an RH threshold, and is straightforward.

Visual estimation versus gravimetric measurement of postpartum blood loss: a prospective cohort study.

Science.gov (United States)

Al Kadri, Hanan M F; Al Anazi, Bedayah K; Tamim, Hani M

2011-06-01

One of the major problems in international literature is how to measure postpartum blood loss with accuracy. We aimed in this research to assess the accuracy of visual estimation of postpartum blood loss (by each of two main health-care providers) compared with the gravimetric calculation method. We carried out a prospective cohort study at King Abdulaziz Medical City, Riyadh, Saudi Arabia between 1 November 2009 and 31 December 2009. All women who were admitted to labor and delivery suite and delivered vaginally were included in the study. Postpartum blood loss was visually estimated by the attending physician and obstetrics nurse and then objectively calculated by a gravimetric machine. Comparison between the three methods of blood loss calculation was carried out. A total of 150 patients were included in this study. There was a significant difference between the gravimetric calculated blood loss and both health-care providers' estimation with a tendency to underestimate the loss by about 30%. The background and seniority of the assessing health-care provider did not affect the accuracy of the estimation. The corrected incidence of postpartum hemorrhage in Saudi Arabia was found to be 1.47%. Health-care providers tend to underestimate the volume of postpartum blood loss by about 30%. Training and continuous auditing of the diagnosis of postpartum hemorrhage is needed to avoid missing cases and thus preventing associated morbidity and mortality.

Population densities of excited atomic hydrogen as diagnostic tool to study an RF hydrogen discharge

NARCIS (Netherlands)

van den Donker, M.N.; Jedrzejczyk, D.; Klomfass, J.; Hartgers, A.; Kessels, W.M.M.; Sanden, van de M.C.M.; Rech, B.; Veldhuizen, van E.M.

2005-01-01

The at. state distribution function (ASDF) of hydrogen was numerically modeled as a function of electron d., electron temp. and neutral d., by means of a collisional-radiative modeling code. Two limiting cases regarding the hydrogen dissocn. degree were considered, namely 0% and 100% dissocn.

Time-Dependent Density Functional Theory Analysis of Triphenylamine-Functionalized Graphene Doped with Transition Metals for Photocatalytic Hydrogen Production.

Science.gov (United States)

Mota, Elder A V; Neto, Abel F G; Marques, Francisco C; Mota, Gunar V S; Martins, Marcelo G; Costa, Fabio L P; Borges, Rosivaldo S; Neto, Antonio M J C

2018-07-01

The electronic structures and optical properties of triphenylamine-functionalized graphene (G-TPA) doped with transition metals, using water as a solvent, were theoretically investigated to verify the efficiency of photocatalytic hydrogen production with the use of transition metals. This study was performed by Density Functional Theory and Time-dependent Density Functional Theory through Gaussian 09W software, adopting the B3LYP functional for all structures. The 6-31g(d) basis set was used for H, C and N atoms, and the LANL2DZ basis set for transition metals using the Effective Core Potentials method. Two approaches were adopted: (1) using single metallic dopants (Ni, Pd, Fe, Os and Pt) and (2) using combinations of Ni with the other dopants (NiPd, NiPt, NiFe and NiOs). The DOS spectra reveal an increase of accessible states in the valence shell, in addition to a gap decrease for all dopants. This doping also increases the absorption in the visible region of solar radiation where sunlight is most intense (400 nm to 700 nm), with additional absorption peaks. The results lead us to propose the G-TPA structures doped with Ni, Pd, Pt, NiPt or NiPd to be novel catalysts for the conversion of solar energy for photocatalytic hydrogen production, since they improve the absorption of solar energy in the range of interest for solar radiation; and act as reaction centers, reducing the required overpotential for hydrogen production from water.

Measuring the electron density in plasmas from the difference of Lorentzian part of the widths of two Balmer series hydrogen lines

Energy Technology Data Exchange (ETDEWEB)

Yubero, C. [Grupo de Física de Plasmas: Diagnosis, Modelos y Aplicaciones (FQM-136), Edificio A. Einstein (C-2), Campus de Rabanales, Universidad de Córdoba, 14071 Córdoba (Spain); García, M.C., E-mail: fa1gamam@uco.es [Grupo de Física de Plasmas: Diagnosis, Modelos y Aplicaciones (FQM-136), Edificio A. Einstein (C-2), Campus de Rabanales, Universidad de Córdoba, 14071 Córdoba (Spain); Dimitrijevic, M.S. [Astronomical Observatory, Volgina 7, 11060 Belgrade (Serbia); Sola, A.; Gamero, A. [Grupo de Física de Plasmas: Diagnosis, Modelos y Aplicaciones (FQM-136), Edificio A. Einstein (C-2), Campus de Rabanales, Universidad de Córdoba, 14071 Córdoba (Spain)

2015-05-01

We present an alternative optical emission spectroscopy method to measure the plasma electron density from the difference of widths of two Balmer series hydrogen lines (H{sub α} and H{sub β}), especially convenient for non-thermal plasmas since with this method, there is no need to know either the gas temperature or the van der Waals contribution to the Lorentzian part of the line. In this paper it has been assumed that the part of full width at half maximum due to Stark broadening can be determined with the approximation of Lorentzian line shape. The method has been applied to the determination of the electron density in an argon microwave-induced plasma maintained at atmospheric pressure, and comparison with the results obtained using other diagnostic methods has been done. - Highlights: • An alternative method to measure the electron density in plasmas from two Balmer series hydrogen lines (H{sub α} and H{sub β}) is presented. • The method is very convenient for plasmas with electron densities of the order of 10{sup 14} cm{sup −3} and above, at low gas temperatures. • It has been applied to the determination of the electron density of an argon microwave plasma at atmospheric pressure. • Results from it are in good agreement with previous ones obtained using other diagnostic methods.

Numerical study of overpopulation density for laser oscillation in recombining hydrogen plasmas

Energy Technology Data Exchange (ETDEWEB)

Oda, T.; Furukane, U.

1983-06-01

The dependence of overpopulation density (OD) on ground-level population density (n1) and electron temperature (Te) in a recombining hydrogen plasma is evaluated for line pairs with the principal quantum numbers (2,3), (3,4), and (4,5). The approach is based on the simultaneouss solution of the quasi-steady-state rate equation (including interatomic-collision terms) and the optical-escape-factor equation for the Lyman series with Doppler profile. Calculations are performed for optically thin and thick plasmas at a fixed atomic temperature of 0.15 eV, over a Te range from 0.1 to 1 eV and an electron-density (ne) range from 10 to the 11th to 10 to the 17th per cu cm. It is shown that peak OD occurs at an ne slightly below that at which population inversion is destroyed, that peak OD is inversely sensitive to Te, and that peak OD(2,3) is the highest of the three peak OD. Laser oscillation is determined to be possible for (2,3) at Te higher than for (3,4) and (4,5), if self-absorption is negligible. The OD remains constant as n1 increases, up to the point at which significant self-absorption occurs. No laser oscillation is expected at level (4,5), nor in optically thick plasma at any level, for the realistic cavity parameters and temperatures used in the calculations. 21 references.

Micro hydrogen for portable power : generating opportunities for hydrogen and fuel cells

Energy Technology Data Exchange (ETDEWEB)

NONE

2006-07-01

A new fuel cell technology for portable applications was reviewed. Success for the fuel cell industry will be achieved primarily by supplanting lithium-ion batteries, and fuel cells for portable applications have clear advantages to batteries in addition to their known environmental benefits. Micro hydrogen {sup TM} is the integrated combination of hydrogen fuel cell, hydrogen storage and delivery, fluidic interconnects and power conditioning electronics required for creating high energy density portable power sources. The small size, low heat production, environmental sustainability and refueling flexibility of the systems provides enormous economic opportunities for the use of micro hydrogen in cell phone technology, personal digital assistants and other electronic gadgets. Details of a trial to test and evaluate micro hydrogen fuel cell powered bike lights were presented. Further programs are planned for external demonstrations of high-beam search and rescue lighting, flashlights for security personnel and portable hydrogen power sources that will be used by multiple organizations throughout British Columbia. It was concluded that fuel cell technology must match the lithium-ion battery's performance by providing fast recharge, high energy density, and adaptability. Issues concerning refueling and portable and disposable cartridges for micro hydrogen systems were also discussed. 8 figs.

Hydrolysis and regeneration of sodium borohydride (NaBH4) - A combination of hydrogen production and storage

Science.gov (United States)

Chen, W.; Ouyang, L. Z.; Liu, J. W.; Yao, X. D.; Wang, H.; Liu, Z. W.; Zhu, M.

2017-08-01

Sodium borohydride (NaBH4) hydrolysis is a promising approach for hydrogen generation, but it is limited by high costs, low efficiency of recycling the by-product, and a lack of effective gravimetric storage methods. Here we demonstrate the regeneration of NaBH4 by ball milling the by-product, NaBO2·2H2O or NaBO2·4H2O, with MgH2 at room temperature and atmospheric pressure without any further post-treatment. Record yields of NaBH4 at 90.0% for NaBO2·2H2O and 88.3% for NaBO2·4H2O are achieved. This process also produces hydrogen from the splitting of coordinate water in hydrated sodium metaborate. This compensates the need for extra hydrogen for generating MgH2. Accordingly, we conclude that our unique approach realizes an efficient and cost-effective closed loop system for hydrogen production and storage.

Strategy for thermo-gravimetric analysis of K East fuel samples

International Nuclear Information System (INIS)

Lawrence, L.A.

1997-01-01

A strategy was developed for the Thermo-Gravimetric Analysis (TGA) testing of K East fuel samples for oxidation rate determinations. Tests will first establish if there are any differences for dry air oxidation between the K West and K East fuel. These tests will be followed by moist inert gas oxidation rate measurements. The final series of tests will consider pure water vapor i.e., steam

Theoretical study of molecular hydrogen and spiltover hydrogen storage on two-dimensional covalent-organic frameworks

International Nuclear Information System (INIS)

Liu Xiu-Ying; He Jie; Yu Jing-Xin; Fan Zhi-Qin; Li Zheng-Xin

2014-01-01

Molecular hydrogen and spiltover hydrogen storages on five two-dimensional (2D) covalent-organic frameworks (COFs) (PPy-COF, TP-COF, BTP-COF, COF-18 Å, and HHTP-DPB COF) are investigated using the grand canonical Monte Carlo (GCMC) simulations and the density functional theory (DFT), respectively. The GCMC simulated results show that HHTP-DPB COF has the best performance for hydrogen storage, followed by BTP-COF, TP-COF, COF-18 Å, and PPy-COF. However, their adsorption amounts at room temperature are all too low to meet the uptake target set by US Department of Energy (US-DOE) and enable practical applications. The effects of pore size, surface area, and isosteric heat of hydrogen on adsorption amount are considered, which indicate that these three factors are all the important factors for determining the H 2 adsorption amount. The chemisorptions of spiltover hydrogen atoms on these five COFs represented by the cluster models are investigated using the DFT method. The saturation cluster models are constructed by considering all possible adsorption sites for these cluster models. The average binding energy of a hydrogen atom and the saturation hydrogen storage density are calculated. The large average binding energy indicates that the spillover process may proceed smoothly and reversibly. The saturation hydrogen storage density is much larger than the physisorption uptake of H 2 molecules at 298 K and 100 bar (1 bar = 10 5 Pa), and is close to or exceeds the 2010 US-DOE target of 6 wt% for hydrogen storage. This suggests that the hydrogen storage capacities of these COFs by spillover may be significantly enhanced. Thus 2D COFs studied in this paper are suitable hydrogen storage media by spillover

Liquid hydrogen properties

International Nuclear Information System (INIS)

Choi, Jung Woon; Kim, Y. J.; Lee, K. H.; Kim, H. I.; Han, K. Y.; Park, J.H.

2004-03-01

The purpose of this report is to provide the input data, whose characteristic is thermodynamic and transport, in the form of equation for the thermo-hydraulic calculations using hydrogen as a working substance. The considered data in this report are particularly focused on the properties of para-hydrogen and of equilibrium-hydrogen around the working temperature range of the HANARO-CNS. The discussed properties of hydrogen are, in turn, the pressure of saturated vapors, the density, the heat of vaporization, thermal conductivity, viscosity, and heat capacity. Several equations to fit the above-mentioned experimental data allow calculating the various properties of liquid hydrogen with high accuracy at all considered temperatures

Comparison of neutron scattering, gravimetric and tensiometric methods for measuring soil water content in the field

International Nuclear Information System (INIS)

Jat, R.L.; Das, D.K.; Naskar, G.C.

1975-01-01

Water content of a sandy clay loam soil was measured by neutron scattering, gravimetric and tensiometric methods. Tensiometric measurement based on laboratory moisture retention curve gave comparatively higher moisture content than those obtained by other methods. No significant differences were observed among neutron meter, gravimetric and tensiometric measurement based on field calibration curve. Though for irrigation purposes all the methods can be used equally, use of tensiometric method with field calibration curve is suggested for easy and more accurate soil water content measurement where neutron meter is not available. (author)

MOF-derived Cu/nanoporous carbon composite and its application for electro-catalysis of hydrogen evolution reaction

International Nuclear Information System (INIS)

Raoof, Jahan-Bakhsh; Hosseini, Sayed Reza; Ojani, Reza; Mandegarzad, Sakineh

2015-01-01

In this work, metal-organic framework Cu_3(BTC)_2 [BTC = 1,3,5-benzenetricarboxylate] (commonly known as MOF-199 or HKUST-1), is used as porous template for preparation of a Cu/nanoporous carbon composite. The MOF-derived Cu/nanoporous carbon composite (Cu/NPC composite) is synthesized by direct carbonization of the MOF-199 without any carbon precursor additive. The physical characterization of the solid catalyst is achieved by using a variety of different techniques, including XRD (X-ray powder diffraction), scanning electron microscopy, thermo-gravimetric analysis, and nitrogen physisorption measurements. The electrochemical results have shown that the Cu/NPC composite modified glassy carbon electrode (Cu/NPC/GCE) as a non-platinum electrocatalyst exhibited favorable catalytic activity for hydrogen evolution reaction, in spite of high resistance to faradic process. This behavior can be attributed to existence of Cu metal confirmed by XRD and/or high effective pore surface area (1025 m"2 g"−"1) in the Cu/NPC composite. The electron transfer coefficient and exchange current density for the Cu/NPC/GCE is calculated by Tafel plot at about 0.34 and 1.2 × 0"−"3 mAcm"−"2, respectively. - Graphical abstract: Metal organic framework-derived Cu/nanoporous carbon composite (Cu/NPC composite) was prepared by direct carbonization of MOF-199 without addition of any carbon source at 900 °C. The Cu/NPC/GCE demonstrated an excellent electrocatalytic activity towards hydrogen evolution reaction compared with bare GCE. - Highlights: • MDNPC (MOF-199 derived nanoporous carbon) is prepared by direct carbonization. • MOF-199 is utilized as a template without addition of carbon resource. • The MDNPC has a good electrocatalytic activity in hydrogen evolution reaction. • High BET surface area and hydrogen adsorption property improved catalyst activity.

Control and Prediction of the Course of Brewery Fermentations by Gravimetric Analysis

Czech Academy of Sciences Publication Activity Database

Košín, P.; Šavel, J.; Brož, A.; Sigler, Karel

2008-01-01

Roč. 53, č. 5 (2008), s. 451-456 ISSN 0015-5632 R&D Projects: GA MŠk 1M0570 Institutional research plan: CEZ:AV0Z50200510 Keywords : brewery fermentation * gravimetric analysis Subject RIV: EE - Microbiology, Virology Impact factor: 1.172, year: 2008

Relation between Hydrogen Evolution and Hydrodesulfurization Catalysis

DEFF Research Database (Denmark)

Šaric, Manuel; Moses, Poul Georg; Rossmeisl, Jan

2016-01-01

A relation between hydrogen evolution and hydrodesulfurization catalysis was found by density functional theory calculations. The hydrogen evolution reaction and the hydrogenation reaction in hydrodesulfurization share hydrogen as a surface intermediate and, thus, have a common elementary step...

Gravimetric Model of Quasigeoid in the Area of Slovakia

Directory of Open Access Journals (Sweden)

Juraj Papčo

2005-06-01

Full Text Available The gravimetric model of quasigeoid in the area of Slovakia was determined by using the revised and homogenised gravity mapping data in the scale of 1:25 000 from the area of Slovakia, and by using the mean Bouguer gravity anomalies with the resolution of 5´x7.5´ in the area 44°<φ<56° and 12°<λ<30° from abroad and by the digital terrain model DMR-2/ERTS89 with the resolution 3“ in the ellipsoidal latitude and 5“ in the ellipsoidal longitude from the area of Slovakia and the digital terrain model GTOPO30 with the resolution of 30“ in the ellipsoidal latitude and 30“ in the ellipsoidal longitude from abroad. The global part of the height anomaly was determined from the global geopotential model EGM96. The residual part of the height anomaly was determined by the Stokes integral formula. For the solution of the Stokes integra,l the Fast Fourier Transformation method in the spherical approximation was used. The gravimetric quasigeoid was tested by the GPS/levelling method using 46 points distributed on the area of Slovakia. The systematic trend of differences between height anomalies was rejected by the surface polynomial of second degree with 6 coefficients. The standard deviation after removing a systematic trend was 0.017 m

Doped phosphorene for hydrogen capture: A DFT study

Science.gov (United States)

Zhang, Hong-ping; Hu, Wei; Du, Aijun; Lu, Xiong; Zhang, Ya-ping; Zhou, Jian; Lin, Xiaoyan; Tang, Youhong

2018-03-01

Hydrogen capture and storage is the core of hydrogen energy application. With its high specific surface area, direct bandgap, and variety of potential applications, phosphorene has attracted much research interest. In this study, density functional theory (DFT) is utilized to study the interactions between doped phosphorenes and hydrogen molecules. The effects of different dopants and metallic or nonmetallic atoms on phosphorene/hydrogen interactions is systematically studied by adsorption energy, electron density difference, partial density of states analysis, and Hirshfeld population. Our results indicate that the metallic dopants Pt, Co, and Ni can help to improve the hydrogen capture ability of phosphorene, whereas the nonmetallic dopants have no effect on it. Among the various metallic dopants, Pt performs very differently, such that it can help to dissociate H2 on phosphorene. Specified doped phosphorene could be a promising candidate for hydrogen storage, with behaviors superior to those of intrinsic graphene sheet.

Hydrogen equilibrium pressure measurements in the Li-N-H system by static manometric method

International Nuclear Information System (INIS)

Ananda, N.S.; Jat, R.A.; Sawant, S.G.; Parida, S.C.; Singh, Z.; Venugopal, V.

2010-01-01

Light weight hydrogen storage materials are very promising in terms of their high gravimetric hydrogen storage capacity and low cost. One such reported system is the Li-N-H system with a theoretical hydrogen capacity of 11.5 wt% according to the following equilibrium reactions; (1) Li 3 N+H 2 → Li 2 NH + LiH and (2) Li 2 NH+H 2 → LiNH 2 + LiH. The enthalpy of reaction (1) is -165 kJ/mole of H 2 whereas that of reaction (2) is -45 kJ/mole of H 2 . Hence, the second reaction is of utmost importance for low temperature release of hydrogen with a capacity of 6.5 wt%. The equilibrium hydrogen pressures of the above two reactions have been reported by pressure-composition isotherm studies at a pressure range of 3-15 atm., in which the mid-point of the sloping plateau of P-C isotherm is considered as the equilibrium pressure. This method may not yield the true equilibrium pressure. Hence, in this study, we have carried out measurements of equilibrium pressure using a static manometric method where we have considered reaction (2) only

The hydrogen laminar jet

Energy Technology Data Exchange (ETDEWEB)

Sanchez-Sanz, M. [Departamento de Motopropulsion y Termofluidomecanica, ETSI Aeronauticos, Universidad Politecnica de Madrid, 28040 Madrid (Spain); Rosales, M. [Department Ingenieria Termica y de Fluidos, Universidad Carlos III de Madrid, 28911, Leganes (Spain); Instituto de Innovacion en Mineria y Metalurgia, Avenida del Valle 738, Santiago (Chile); Sanchez, A.L. [Department Ingenieria Termica y de Fluidos, Universidad Carlos III de Madrid, 28911, Leganes (Spain)

2010-04-15

Numerical and asymptotic methods are used to investigate the structure of the hydrogen jet discharging into a quiescent air atmosphere. The analysis accounts in particular for the variation of the density and transport properties with composition. The Reynolds number of the flow R{sub j}, based on the initial jet radius a, the density {rho}{sub j} and viscosity {mu}{sub j} of the jet and the characteristic jet velocity u{sub j}, is assumed to take moderately large values, so that the jet remains slender and stable, and can be correspondingly described by numerical integration of the continuity, momentum and species conservation equations written in the boundary-layer approximation. The solution for the velocity and composition in the jet development region of planar and round jets, corresponding to streamwise distances of order R{sub j}a, is computed numerically, along with the solutions that emerge both in the near field and in the far field. The small value of the hydrogen-to-air molecular weight ratio is used to simplify the solution by considering the asymptotic limit of vanishing jet density. The development provides at leading-order explicit analytical expressions for the far-field velocity and hydrogen mass fraction that describe accurately the hydrogen jet near the axis. The information provided can be useful in particular to characterize hydrogen discharge processes from holes and cracks. (author)

Ammonia for hydrogen storage: challenges and opportunities

DEFF Research Database (Denmark)

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

2008-01-01

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

Testing the molecular-hydrogen Kennicutt-Schmidt law in the low-density environments of extended ultraviolet disc galaxies

Science.gov (United States)

Watson, Linda C.; Martini, Paul; Lisenfeld, Ute; Böker, Torsten; Schinnerer, Eva

2016-01-01

Studying star formation beyond the optical radius of galaxies allows us to test empirical relations in extreme conditions with low average gas density and low molecular fraction. Previous studies discovered galaxies with extended ultraviolet (XUV) discs, which often contain star-forming regions with lower Hα-to-far-UV (FUV) flux ratios compared to inner disc star-forming regions. However, most previous studies lack measurements of molecular gas, which is presumably the component of the interstellar medium out of which stars form. We analysed published CO measurements and upper limits for 15 star-forming regions in the XUV or outer disc of three nearby spiral galaxies and a new CO upper limit from the IRAM (Institut de Radioastronomie Millimétrique) 30 m telescope in one star-forming region at r = 3.4r25 in the XUV disc of NGC 4625. We found that the star-forming regions are in general consistent with the same molecular-hydrogen Kennicutt-Schmidt law that applies within the optical radius, independent of whether we used Hα or FUV as the star formation rate (SFR) tracer. However, a number of the CO detections are significantly offset towards higher SFR surface density for their molecular-hydrogen surface density. Deeper CO data may enable us to use the presence or absence of molecular gas as an evolutionary probe to break the degeneracy between age and stochastic sampling of the initial mass function as the explanation for the low Hα-to-FUV flux ratios in XUV discs.

Novel gravimetric measurement technique for quantitative volume calibration in the sub-microliter range

International Nuclear Information System (INIS)

Liang, Dong; Zengerle, Roland; Steinert, Chris; Ernst, Andreas; Koltay, Peter; Bammesberger, Stefan; Tanguy, Laurent

2013-01-01

We present a novel measurement method based on the gravimetric principles adapted from the ASTM E542 and ISO 4787 standards for quantitative volume determination in the sub-microliter range. Such a method is particularly important for the calibration of non-contact micro dispensers as well as other microfluidic devices. The novel method is based on the linear regression analysis of continuously monitored gravimetric results and therefore is referred to as ‘gravimetric regression method (GRM)’. In this context, the regression analysis is necessary to compensate the mass loss due to evaporation that is significant for very small dispensing volumes. A full assessment of the measurement uncertainty of GRM is presented and results in a standard measurement uncertainty around 6 nl for dosage volumes in the range from 40 nl to 1 µl. The GRM has been experimentally benchmarked with a dual-dye ratiometric photometric method (Artel Inc., Westbrook, ME, USA), which can provide traceability of measurement to the International System of Units (SI) through reference standards maintained by NIST. Good precision (max. CV = 2.8%) and consistency (bias around 7 nl in the volume range from 40 to 400 nl) have been observed comparing the two methods. Based on the ASTM and ISO standards on the one hand and the benchmark with the photometric method on the other hand, two different approaches for establishing traceability for the GRM are discussed. (paper)

Periodic density functional theory study of ethylene hydrogenation over Co3O4 (1 1 1) surface: The critical role of oxygen vacancies

Science.gov (United States)

Lu, Jinhui; Song, JiaJia; Niu, Hongling; Pan, Lun; Zhang, Xiangwen; Wang, Li; Zou, Ji-Jun

2016-05-01

Recently, metal oxides are attracting increasing interests as hydrogenation catalyst. Herein we studied the hydrogenation of ethylene on perfect and oxygen defective Co3O4 (1 1 1) using periodic density functional theory. The energetics and pathways of ethylene hydrogenation to ethane were determined. We have demonstrated that (i) H2 dissociation on Co3O4 is a complicated two-step process through a heterolytic cleavage, followed by the migration of H atom and finally yields the homolytic product on both perfect and oxygen defective Co3O4 (1 1 1) surfaces easily. (ii) After introducing the surface oxygen vacancy, the stepwise hydrogenation of ethylene by atomic hydrogen is much easier than that on perfect surface due to the weaker bond strength of OH group. The strength of Osbnd H bond is a crucial factor for the hydrogenation reaction which involves the breakage of Osbnd H bond. The formation of oxygen vacancy increases the electronic charges at the adjacent surface O, which reduces its capability of further gaining electrons from adsorbed atomic hydrogen and then weakens the strength of Osbnd H bond. These results emphasize the importance of the oxygen vacancies for hydrogenation on metal oxides.

Comparison of gravimetric, creamatocrit and esterified fatty acid methods for determination of total fat content in human milk.

Science.gov (United States)

Du, Jian; Gay, Melvin C L; Lai, Ching Tat; Trengove, Robert D; Hartmann, Peter E; Geddes, Donna T

2017-02-15

The gravimetric method is considered the gold standard for measuring the fat content of human milk. However, it is labor intensive and requires large volumes of human milk. Other methods, such as creamatocrit and esterified fatty acid assay (EFA), have also been used widely in fat analysis. However, these methods have not been compared concurrently with the gravimetric method. Comparison of the three methods was conducted with human milk of varying fat content. Correlations between these methods were high (r(2)=0.99). Statistical differences (Pmethods. Overall, stronger correlation with lower mean (4.73g/L) and percentage differences (5.16%) was observed with the creamatocrit than the EFA method when compared to the gravimetric method. Furthermore, the ease of operation and real-time analysis make the creamatocrit method preferable. Copyright © 2016. Published by Elsevier Ltd.

Boron-Based Hydrogen Storage: Ternary Borides and Beyond

Energy Technology Data Exchange (ETDEWEB)

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

2016-04-28

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-12-15

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

Precision gravimetric survey at the conditions of urban agglomerations

Science.gov (United States)

Sokolova, Tatiana; Lygin, Ivan; Fadeev, Alexander

2014-05-01

Large cities growth and aging lead to the irreversible negative changes of underground. The study of these changes at the urban area mainly based on the shallow methods of Geophysics, which extensive usage restricted by technogenic noise. Among others, precision gravimetry is allocated as method with good resistance to the urban noises. The main the objects of urban gravimetric survey are the soil decompaction, leaded to the rocks strength violation and the karst formation. Their gravity effects are too small, therefore investigation requires the modern high-precision equipment and special methods of measurements. The Gravimetry division of Lomonosov Moscow State University examin of modern precision gravimeters Scintrex CG-5 Autograv since 2006. The main performance characteristics of over 20 precision gravimeters were examined in various operational modes. Stationary mode. Long-term gravimetric measurements were carried at a base station. It shows that records obtained differ by high-frequency and mid-frequency (period 5 - 12 hours) components. The high-frequency component, determined as a standard deviation of measurement, characterizes the level of the system sensitivity to external noise and varies for different devices from 2 to 5-7 μGals. Midrange component, which closely meet to the rest of nonlinearity gravimeter drifts, is partially compensated by the equipment. This factor is very important in the case of gravimetric monitoring or observations, when midrange anomalies are the target ones. For the examined gravimeters, amplitudes' deviations, associated with this parameter may reach 10 μGals. Various transportation modes - were performed by walking (softest mode), lift (vertical overload), vehicle (horizontal overloads), boat (vertical plus horizontal overloads) and helicopter. The survey quality was compared by the variance of the measurement results and internal convergence of series. The measurement results variance (from ±2 to ±4 μGals) and its

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

Energy Technology Data Exchange (ETDEWEB)

Sapru, K.

1998-12-04

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

Solar hydrogen hybrid system with carbon storage

International Nuclear Information System (INIS)

Zini, G.; Marazzi, R.; Pedrazzi, S.; Tartarini, P.

2009-01-01

A complete solar hydrogen hybrid system has been developed to convert, store and use energy from renewable energy sources. The theoretical model has been implemented in a dynamic model-based software environment and applied to real data to simulate its functioning over a one-year period. Results are used to study system design and performance. A photovoltaic sub-system directly drives a residential load and, if a surplus of energy is available, an electrolyzer to produce hydrogen which is stored in a cluster of nitrogen-cooled tanks filled with AX-21 activated carbons. When the power converted from the sun is not sufficient to cover load needs, hydrogen is desorbed from activated carbon tanks and sent to the fuel-cell sub-system so to obtain electrical energy. A set of sub-systems (bus-bar, buck- and boost-converters, inverter, control circuits), handle the electrical power according to a Programmable Logic Control unit so that the load can be driven with adequate Quality of Service. Hydrogen storage is achieved through physisorption (weak van der Waals interactions) between carbon atoms and hydrogen molecules occurring at low temperature (77 K) in carbon porous solids at relatively low pressures. Storage modeling has been developed using a Langmuir-Freundlich 1st type isotherm and experimental data available in literature. Physisorption storage provides safer operations along with good gravimetric (10.8% at 6 MPa) and volumetric (32.5 g/l at 6 MPa) storage capacities at costs that can be comparable to, or smaller than, ordinary storage techniques (compression or liquefaction). Several test runs have been performed on residential user data-sets: the system is capable of providing grid independence and can be designed to yield a surplus production of hydrogen which can be used to recharge electric car batteries or fill tanks for non-stationary uses. (author)

Study of the corrosion behavior of magnesium alloy weddings in NaCl solutions by gravimetric tests

Energy Technology Data Exchange (ETDEWEB)

Segarra, J. A.; Calderon, B.; Portoles, A.

2015-07-01

In this article, the corrosion behavior of commercial AZ31 welded plates in aqueous chloride media was investigated by means of gravimetric techniques and Neutral Salt Spray tests (NSS). The AZ31 samples tested were welded using Gas Tugsten Arc Welding (GTAW) and different filler materials. Material microstructures were investigated by optical microscopy to stablish the influence of those microstructures in the corrosion behavior. Gravimetric and NSS tests indicate that the use of more noble filler alloys for the sample welding, preventing the reduction of aluminum content in weld beads, does not imply a better corrosion behavior. (Author)

Study of Hydrogen As An Aircraft Fuel

National Research Council Canada - National Science Library

Ciaravino, J

2003-01-01

.... The biggest obstacle to using hydrogen is its very low density, a property that even combined with hydrogen's high heat of combustion still results in very large fuel tanks. Liquid hydrogen (LH2...

A detailed gravimetric geoid of North America, the North Atlantic, Eurasia, and Australia

Science.gov (United States)

Marsh, J. G.

1973-01-01

A computer program was developed for the calculation of a goid based upon a combination of satellite and surface gravity data. A detailed gravimetric geoid of North America, the North Atlantic, Eurasia, and Australia was derived by using this program.

Hydrogenation Properties of Mg-5 wt.% TiCr_10NbX (x=1,3,5) Composites by Mechanical Alloying Process

International Nuclear Information System (INIS)

Kim, Kyeong-Il; Hong, Tae-Whan

2011-01-01

Hydrogen and hydrogen energy have been recognized as clean energy sources and high energy carrier. Mg and Mg alloys are attractive hydrogen storage materials because of their lightweight and low cost materials with high hydrogen capacity (about 7.6 wt.%). However, the commercial applications of the Mg hydrides are currently hinder by its high absorption/desorption temperature, and very slow reaction kinetics. However, Ti and Ti based hydrogen storage alloys have been thought to be the third generation of alloys with a high hydrogen capacity, which makes it difficult to handle because of high reactivity. One of the most methods to develop kinetics was addition of transition metal. Therefore, Mg-Ti-Cr-Nb alloy was fabricated to add TiCrNb by hydrogen induced mechanical alloying. TiCrNb systems have included transition metals, low operating temperatures and hydrogen storage materials. As-received specimens were characterized using X-ray Diffraction analysis (XRD), Scanning Electron Microscopy (SEM) and Thermo Gravimetric analysis/Differential Scanning Calorimetry (TG/DSC). Mg-TiCr_10Nb systems were evaluated for hydrogen kinetics by Sievert’s type Pressure-Composition-Isotherm (PCI) equipment. The operating temperature range was 473, 523, 573 and 623 K.

Comparison of the gravimetric, phenol red, and 14C-PEG-3350 methods to determine water absorption in the rat single-pass intestinal perfusion model.

Science.gov (United States)

Sutton, S C; Rinaldi, M T; Vukovinsky, K E

2001-01-01

This study was undertaken to determine whether the gravimetric method provided an accurate measure of water flux correction and to compare the gravimetric method with methods that employ nonabsorbed markers (eg, phenol red and 14C-PEG-3350). Phenol red,14C-PEG-3350, and 4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]-, methyl ester, (R)-benzene acetic acid (Compound I) were co-perfused in situ through the jejunum of 9 anesthetized rats (single-pass intestinal perfusion [SPIP]). Water absorption was determined from the phenol red,14C-PEG-3350, and gravimetric methods. The absorption rate constant (ka) for Compound I was calculated. Both phenol red and 14C-PEG-3350 were appreciably absorbed, underestimating the extent of water flux in the SPIP model. The average +/- SD water flux microg/h/cm) for the 3 methods were 68.9 +/- 28.2 (gravimetric), 26.8 +/- 49.2 (phenol red), and 34.9 +/- 21.9 (14C-PEG-3350). The (average +/- SD) ka for Compound I (uncorrected for water flux) was 0.024 +/- 0.005 min(-1). For the corrected, gravimetric method, the average +/- SD was 0.031 +/- 0.001 min(-1). The gravimetric method for correcting water flux was as accurate as the 2 "nonabsorbed" marker methods.

Gravimetric method for in vitro calibration of skin hydration measurements.

Science.gov (United States)

Martinsen, Ørjan G; Grimnes, Sverre; Nilsen, Jon K; Tronstad, Christian; Jang, Wooyoung; Kim, Hongsig; Shin, Kunsoo; Naderi, Majid; Thielmann, Frank

2008-02-01

A novel method for in vitro calibration of skin hydration measurements is presented. The method combines gravimetric and electrical measurements and reveals an exponential dependency of measured electrical susceptance to absolute water content in the epidermal stratum corneum. The results also show that absorption of water into the stratum corneum exhibits three different phases with significant differences in absorption time constant. These phases probably correspond to bound, loosely bound, and bulk water.

Density functional theory study of hydrogenation mechanism in Fe-doped Mg(0 0 0 1) surface

International Nuclear Information System (INIS)

Wu Guangxin; Zhang Jieyu; Wu Yongquan; Li Qian; Chou Kuochih; Bao Xinhua

2009-01-01

Using density functional theory (DFT) in combination with nudged elastic band (NEB) method, the dissociative chemisorptions and diffusion processes of hydrogen on both pure and Fe-doped Mg(0 0 0 1) surfaces are studied. Firstly, the dissociation pathway of H 2 and the relative barrier were investigated. The calculated dissociation barrier (1.08 eV) of hydrogen molecule on a pure Mg(0 0 0 1) surface is in good agreement with comparable experimental and theoretical studies. For the Fe-doped Mg(0 0 0 1) surface, the activated barrier decreases to 0.101 eV due to the strong interaction between the s orbital of H and the d orbital of Fe. Then, the diffusion processes of atomic hydrogen on pure and Fe-doped Mg(0 0 0 1) are presented. The obtained diffusion barrier to the first subsurface is 0.45 eV and 0.98 eV, respectively. Finally, Chou method was used to investigate the hydrogen sorption kinetic mechanism of pure MgH 2 and Mg mixed with 5 at.% Fe atoms composites. The obtained activation energies are 0.87 ± 0.02 and 0.31 ± 0.01 eV for H 2 dissociation on the pure surface and H atom diffusion in Fe-doped Mg surfaces, respectively. It suggests that the rate-controlling step is dissociation of H 2 on the pure Mg surface while it is diffusion of H atom in the Fe-doped Mg surface. And both of fitting data are matching well with our calculation results.

Separation and gravimetric determination of rare earths with N-(3-nitrobenzoyl), N-(3-tolyl) hydroxylamine

International Nuclear Information System (INIS)

Agrawal, Y.K.; Kapoor, H.L.

1977-01-01

The N-(3-nitrobenzoyl), N-(3-tolyl) hydroxylamine is used as a reagent for the separation and gravimetric determination of Ce 3+ , La 3+ , Pr 3+ , Nd 3+ , Sm 3+ and Gd 3+ . The optimum conditions of precipitation of these rare earths indicate that, by control of pH and judicious use of masking agents, these ions can be separated from, and determined gravimetrically among several other ions. Further, the stochiometric nature of the N-(3-nitrobenzoyl), N-(3-tolyl) hydroxylamine acid is advantageous for the direct determination by weighting of (C 14 H 11 N 2 O 4 ) 3 M complex without ignition to obtain oxides. These complexes are characterized by infrared spectra

Gravimetric determination of cadmium with o-phenanthroline and iodide

International Nuclear Information System (INIS)

Yoshida, Hitoshi; Mizuno, Kazunori; Taga, Mitsuhiko; Hikime, Seiichiro

1976-01-01

Cadmium forms insoluble mixed ligand complex with o-phenanthroline and iodide ions. By using the complex a new gravimetric method for the determination of cadmium was investigated. The recommended analytical procedure is as follows: Adjust pH value of a solution containing 5 to 45 mg cadmium to 4 with 3 M acetic acid-sodium acetate buffer solution. Add over threefold moles of potassium iodide to the solution and heat to just before boiling. To the solution add 0.1% ascorbic acid solution and then 0.1 M o-phenanthroline solution drop by drop in excess with stirring, and cool the mixture to room temperature. Filter the precipitates and wash first with 0.01% potassium iodide solution and then with water. Dry the precipitates at 110 0 C for two hours and weigh as Cd(o-phen) 2 I 2 (I). The gravimetric factor of the complex for cadmium is 0.1547. Chemical composition of the precipitate is variable when o-phenanthroline is added less than twofold moles to cadmium. Adding the o-phenanthroline solution 2.4-fold moles against cadmium, the ternary complex (I) precipitates quantitatively. Though a large excess of iodide ion in the solution contaminated the precipitate, the contamination was avoided when precipitation was carryed out at high temperature and in the presence of ascorbic acid. By the presented procedure 5 to 45 mg of cadmium are determined with a standard deviation of 0 C. (JPN)

High performance hydrogen storage from Be-BTB metal-organic framework at room temperature.

Science.gov (United States)

Lim, Wei-Xian; Thornton, Aaron W; Hill, Anita J; Cox, Barry J; Hill, James M; Hill, Matthew R

2013-07-09

The metal-organic framework beryllium benzene tribenzoate (Be-BTB) has recently been reported to have one of the highest gravimetric hydrogen uptakes at room temperature. Storage at room temperature is one of the key requirements for the practical viability of hydrogen-powered vehicles. Be-BTB has an exceptional 298 K storage capacity of 2.3 wt % hydrogen. This result is surprising given that the low adsorption enthalpy of 5.5 kJ mol(-1). In this work, a combination of atomistic simulation and continuum modeling reveals that the beryllium rings contribute strongly to the hydrogen interaction with the framework. These simulations are extended with a thermodynamic energy optimization (TEO) model to compare the performance of Be-BTB to a compressed H2 tank and benchmark materials MOF-5 and MOF-177 in a MOF-based fuel cell. Our investigation shows that none of the MOF-filled tanks satisfy the United States Department of Energy (DOE) storage targets within the required operating temperatures and pressures. However, the Be-BTB tank delivers the most energy per volume and mass compared to the other material-based storage tanks. The pore size and the framework mass are shown to be contributing factors responsible for the superior room temperature hydrogen adsorption of Be-BTB.

High temperature equation of state of metallic hydrogen

International Nuclear Information System (INIS)

Shvets, V. T.

2007-01-01

The equation of state of liquid metallic hydrogen is solved numerically. Investigations are carried out at temperatures from 3000 to 20 000 K and densities from 0.2 to 3 mol/cm 3 , which correspond both to the experimental conditions under which metallic hydrogen is produced on earth and the conditions in the cores of giant planets of the solar system such as Jupiter and Saturn. It is assumed that hydrogen is in an atomic state and all its electrons are collectivized. Perturbation theory in the electron-proton interaction is applied to determine the thermodynamic potentials of metallic hydrogen. The electron subsystem is considered in the randomphase approximation with regard to the exchange interaction and the correlation of electrons in the local-field approximation. The proton-proton interaction is taken into account in the hard-spheres approximation. The thermodynamic characteristics of metallic hydrogen are calculated with regard to the zero-, second-, and third-order perturbation theory terms. The third-order term proves to be rather essential at moderately high temperatures and densities, although it is much smaller than the second-order term. The thermodynamic potentials of metallic hydrogen are monotonically increasing functions of density and temperature. The values of pressure for the temperatures and pressures that are characteristic of the conditions under which metallic hydrogen is produced on earth coincide with the corresponding values reported by the discoverers of metallic hydrogen to a high degree of accuracy. The temperature and density ranges are found in which there exists a liquid phase of metallic hydrogen

Computation of improved tidal parameters at the gravimetric station of Brasimone

Directory of Open Access Journals (Sweden)

P. Baldi

1997-06-01

Full Text Available Since 1991 a GWR superconducting gravimeter has been working in a laboratory at the Brasimone ENEA Research Centre, near Bologna (Italy, in the frame of an experimental program to verify Newton's law over distances of the order of 10-100 m. Owing to the aim of the experiment, the gravimeter was moved to different laboratories in the same area, but from August 1995 to date it has been working continuously in the same laboratory in the frame of the preliminary program of the Global Geodynamics Project. The site, belonging to a building of a dismissed nuclear power plant, is free from noise due to human activities, and is thus highly suitable for recording Earth tides. Starting from a set of gravimetric and atmospheric pressure data of high quality relative to 22 months of observation, we performed the tidal analysis using Eterna 3.2 software in order to compute amplitudes, gravimetric factors and phases of the main waves of the Tamura 1987 catalogue. The accuracy of the method adopted for the calibration of the gravimeter, the values of the principal waves and the result of the computation of atmospheric pressure admittance are described.

Mycotoxin metrology: Gravimetric production of zearalenone calibration solution

Science.gov (United States)

Rego, E. C. P.; Simon, M. E.; Li, Xiuqin; Li, Xiaomin; Daireaux, A.; Choteau, T.; Westwood, S.; Josephs, R. D.; Wielgosz, R. I.; Cunha, V. S.

2018-03-01

Food safety is a major concern for countries developing metrology and quality assurance systems, including the contamination of food and feed by mycotoxins. To improve the mycotoxin analysis and ensure the metrological traceability, CRM of calibration solution should be used. The production of certified mycotoxin solutions is a major challenge due to the limited amount of standard for conducting a proper purity study and due to the cost of standards. The CBKT project was started at BIPM and Inmetro produced gravimetrically one batch of zearelenone in acetronitrile (14.708 ± 0.016 μg/g, k=2) and conducted homogeneity, stability and value assignment studies.

Parametric and cycle tests of a 40-A-hr bipolar nickel-hydrogen battery

Science.gov (United States)

Cataldo, R. L.

1986-01-01

A series of tests was performed to characterize battery performance relating to certain operating parameters which included charge current, discharge current, temperature and pressure. The parameters were varied to confirm battery design concepts and to determine optimal operating conditions. Spacecraft power requirements are constantly increasing. Special spacecraft such as the Space Station and platforms will require energy storage systems of 130 and 25 kWh, respectively. The complexity of these high power systems will demand high reliability, and reduced mass and volume. A system that uses batteries for storage will require a cell count in excess of 400 units. These cell units must then be assembled into several batteries with over 100 cells in a series connected string. In an attempt to simplify the construction of conventional cells and batteries, the NASA Lewis Research Center battery systems group initiated work on a nickel-hydrogen battery in a bipolar configuration in early 1981. Features of the battery with this bipolar construction show promise in improving both volumetric and gravimetric energy densities as well as thermal management. Bipolar construction allows cooling in closer proximity to the cell components, thus heat removal can be accomplished at a higher rejection temperature than conventional cell designs. Also, higher current densities are achievable because of low cell impedance. Lower cell impedance is achieved via current flow perpendicular to the electrode face, thus reducing voltage drops in the electrode grid and electrode terminals tabs.

Ground state hydrogen conformations and vibrational analysis of 1,2-dihdroxyanthraquinone (alizarin) molecule by AB initio Hartree-Fock and density functional theory calculations

International Nuclear Information System (INIS)

Delta, E.; Ucun, F.; Saglam, A.

2010-01-01

The ground state hydrogen conformations of 1,2-dihydroxyanthraquinone (alizarin) molecule have been investigated using ab initio Hartree-Fock (HF) and density functional theory (B3LYP) methods with 6-31G(d,p) basis set. The calculations indicate that the compound in the ground state exist with the doubly bonded O atom linked intra molecularly by the two hydrogen bonds. The vibrational analyses of the ground state conformation of the compound were also made and its optimized geometry parameters were given.

Hydrogen storage on graphene: First-principle calculations

NARCIS (Netherlands)

Boukhvalov, D.W.; Katsnelson, M.I.; Lichtenstein, A.I.

2007-01-01

Density functional calculations of electronic structure, total energy, structural distortions, and magnetism for hydrogenated single-layer, bilayer, and multi-layer graphene are performed. It is found that hydrogen-induced magnetism can survives only at very low concentrations of hydrogen

A highly accurate absolute gravimetric network for Albania, Kosovo and Montenegro

Science.gov (United States)

Ullrich, Christian; Ruess, Diethard; Butta, Hubert; Qirko, Kristaq; Pavicevic, Bozidar; Murat, Meha

2016-04-01

The objective of this project is to establish a basic gravity network in Albania, Kosovo and Montenegro to enable further investigations in geodetic and geophysical issues. Therefore the first time in history absolute gravity measurements were performed in these countries. The Norwegian mapping authority Kartverket is assisting the national mapping authorities in Kosovo (KCA) (Kosovo Cadastral Agency - Agjencia Kadastrale e Kosovës), Albania (ASIG) (Autoriteti Shtetëror i Informacionit Gjeohapësinor) and in Montenegro (REA) (Real Estate Administration of Montenegro - Uprava za nekretnine Crne Gore) in improving the geodetic frameworks. The gravity measurements are funded by Kartverket. The absolute gravimetric measurements were performed from BEV (Federal Office of Metrology and Surveying) with the absolute gravimeter FG5-242. As a national metrology institute (NMI) the Metrology Service of the BEV maintains the national standards for the realisation of the legal units of measurement and ensures their international equivalence and recognition. Laser and clock of the absolute gravimeter were calibrated before and after the measurements. The absolute gravimetric survey was carried out from September to October 2015. Finally all 8 scheduled stations were successfully measured: there are three stations located in Montenegro, two stations in Kosovo and three stations in Albania. The stations are distributed over the countries to establish a gravity network for each country. The vertical gradients were measured at all 8 stations with the relative gravimeter Scintrex CG5. The high class quality of some absolute gravity stations can be used for gravity monitoring activities in future. The measurement uncertainties of the absolute gravity measurements range around 2.5 micro Gal at all stations (1 microgal = 10-8 m/s2). In Montenegro the large gravity difference of 200 MilliGal between station Zabljak and Podgorica can be even used for calibration of relative gravimeters

Metal hydrides for hydrogen storage in nickel hydrogen batteries

International Nuclear Information System (INIS)

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

1984-01-01

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

Evaluation of the gravimetric tetraphenylarsonium method for the determination of Tc(VII)

International Nuclear Information System (INIS)

Pacer, R.A.

1980-01-01

Solubility losses in the gravimetric tetraphenylarsonium method for determining pertechnetate have been evaluated. Liquid scintillation counting was used to measure the β - activity of 99 Tc in the filtrate, and indicated solubility losses of about 1% in analyses yielding 40 to 50 mg of precipitate. The solubility product of (C 6 H 5 ) 4 AsTcO 4 is estimated to be (8.6 +- 0.2) x 10 -10 at room temperature (24 to 25 0 ), and Ksub(sp) for (C 6 H 5 ) 4 AsReO 4 at approximately 21 to 23 0 is estimated at (2.6 +- 0.3) x 10 -9 . Both values are satisfactory for gravimetric purposes, but to keep solubility losses within 1% at least 40 mg of (C 6 H 5 ) 4 AsTcO 4 or 80 mg of (C 6 H 5 ) 4 AsReO 4 should be obtained (assuming 20 ml of solution, 20 to 30% excess of precipitant, and 6 or 7 washes with 5-ml portions of distilled water). (author)

Hydrogen Bonding, (1)H NMR, and Molecular Electron Density Topographical Characteristics of Ionic Liquids Based on Amino Acid Cations and Their Ester Derivatives.

Science.gov (United States)

Rao, Soniya S; Bejoy, Namitha Brijit; Gejji, Shridhar P

2015-08-13

Amino acid ionic liquids (AAILs) have attracted significant attention in the recent literature owing to their ubiquitous applications in diversifying areas of modern chemistry, materials science, and biosciences. The present work focuses on unraveling the molecular interactions underlying AAILs. Electronic structures of ion pairs consisting of amino acid cations ([AA(+)], AA = Gly, Ala, Val, Leu, Ile, Pro, Ser, Thr) and their ester substituted derivatives [AAE(+)] interacting with nitrate anion [NO3(-)] have been obtained from the dispersion corrected M06-2x density functional theory. The formation of ion pair is accompanied by the transfer of proton from quaternary nitrogen to anion facilitated via hydrogen bonding. The [Ile], [Pro], [Ser], and [Thr] and their esters reveal relatively strong inter- as well as intramolecular hydrogen-bonding interactions. Consequently, the hierarchy in binding energies of [AA][NO3] ion pairs and their ester analogues turns out to be [Gly] > [Ala] > [Ser] ∼ [Val] ∼ [Ile] > [Leu] ∼ [Thr] > [Pro]. The work underlines how the interplay of intra- as well as intermolecular hydrogen-bonding interactions in [AA]- and [AAE]-based ILs manifest in their infrared and (1)H NMR spectra. Substitution of -OCH3 functional group in [AA][NO3] ILs lowers the melting point attributed to weaker hydrogen-bonding interactions, making them suitable for room temperature applications. As opposed to gas phase structures, the presence of solvent (DMSO) does not bring about any proton transfer in the ion pairs or their ester analogues. Calculated (1)H NMR chemical shifts of the solvated structures agree well with those from experiment. Correlations of decomposition temperatures in [AA]- and [AAE]-based ILs with binding energies and electron densities at the bond critical point(s) in molecular electron density topography, have been established.

Most effective way to improve the hydrogen storage abilities of Na-decorated BN sheets: applying external biaxial strain and an electric field.

Science.gov (United States)

Tang, Chunmei; Zhang, Xue; Zhou, Xiaofeng

2017-02-15

Density functional calculations were used to investigate the hydrogen storage abilities of Na-atoms-decorated BN sheets under both external biaxial strain and a vertical electric field. The Na atom generally has the weakest binding strength to a given substrate compared with the other elements in the periodic table [PANS, 2016, 113, 3735]. Consequently, it is understudied in comparison to other elements and there are few reports about the hydrogen storage abilities of Na-decorated nanomaterials. We calculated that the average binding energy (E b ) of Na atoms to the pure BN sheet is 1.08 eV, which is smaller than the cohesive energy of bulk Na (1.11 eV). However, the E b can be increased to 1.15 eV under 15% biaxial strain, and further up to 1.53 eV with the control of both 15% biaxial strain and a 5.14 V nm -1 electric field (E-field). Therefore, the application of biaxial strain and an external upward E-field can prevent clustering of the Na atoms on the surface of a BN sheet, which is crucial for the hydrogen storage. Each Na atom on the surface of a BN sheet can adsorb only one H 2 molecule when no strain or E-field is applied; however, the absorption increases to five H 2 molecules under 15% biaxial strain and six H 2 molecules under both 15% biaxial strain combined with a 5.14 V nm -1 E-field. The average adsorption energies for H 2 of BN-(Na-mH 2 ) (m = 1-6) are within the range of practical applications (0.2-0.6 eV). The hydrogen gravimetric density of the periodic BN-(Na-6H 2 ) 4 structure is 9 wt%, which exceeds the 5.5 wt% value that should be met by 2017 as specified by the US Department of Energy. On the other side, removal of the biaxial strain and E-field can help to desorb the H 2 molecule. These findings suggest a new route to design hydrogen storage materials under near-ambient conditions.

A review on on-board challenges of magnesium-based hydrogen storage materials for automobile applications

Science.gov (United States)

Rahman, Md. Wasikur

2017-06-01

The attempt of the review is to realize on-board hydrogen storage technologies concerning magnesium based solid-state matrix to allow fuel cell devices to facilitate sufficient storage capacity, cost, safety and performance requirements to be competitive with current vehicles. Hydrogen, a potential and clean fuel, can be applied in the state-of-the-art technology of `zero emission' vehicles. Hydrogen economy infrastructure both for stationary and mobile purposes is complicated due to its critical physico-chemical properties and materials play crucial roles in every stage of hydrogen production to utilization in fuel cells in achieving high conversion efficiency, safety and robustness of the technologies involved. Moreover, traditional hydrogen storage facilities are rather complicated due to its anomalous properties such as highly porous solids and polymers have intrinsic microporosity, which is the foremost favorable characteristics of fast kinetics and reversibility, but the major drawback is the low storage capacity. In contrast, metal hydrides and complex hydrides have high hydrogen storage capacity but thermodynamically unfavorable. Therefore, hydrogen storage is a real challenge to realize `hydrogen economy' that will solve the critical issues of humanity such as energy depletion, greenhouse emission, air pollution and ultimately climate change. Magnesium based materials, particularly magnesium hydride (MgH2) has been proposed as a potential hydrogen storage material due to its high gravimetric and volumetric capacity as well as environmentally benign properties to work the grand challenge out.

Estimation of the internal structure of Trans-Mexican volcanic belt by gravimetric data

International Nuclear Information System (INIS)

Flores R, J.H.

1994-01-01

The regional gravimetric data of Trans-Mexican volcanic belt and surroundings, has been analyzed in order to estimate the depth of its internal structure. The short profiles with N-S orientation give a model of four shells with an average depth in the rank 24, 34, 56 and 83 kilometers. Only the profiles included between 97 West degrees to 102 West degrees give a depth of crust larger than the rest of the profiles with the same orientation. This profiles are associated with that of the Valleys of Toluca, D.F. and Puebla where the maximum crust thickness was estimated. The 3 long profiles with S-W orientation, give a model of 3 shells. The tendency of the first shell has a cortical thickness of 38 kilometers in the latitude of 18 North degrees. This tendency to increase the depth in the crust is associated with the minimum gravimetric in the map of Bouguer anomaly. (Author)

Hydrogen storage in nanostructured materials

Energy Technology Data Exchange (ETDEWEB)

Assfour, Bassem

2011-02-28

total hydrogen uptake at 77 K and 100 bar amounts to 7.8 wt.% comparable to the total uptake reported of MOF-177 (10 wt.%), which is a benchmark material for high pressure and low temperature H{sub 2} adsorption. Covalent organic frameworks are new class of nanoporous materials constructed solely from light elements (C, H, B, and O). The number of adsorption sites as well as the strength of adsorption are essential prerequisites for hydrogen storage in porous materials because they determine the storage capacity and the operational conditions. Currently, to the best of our knowledge, no experimental data are available on the position of preferential H{sub 2} adsorption sites in COFs. Molecular dynamics simulations were applied to determine the position of preferential hydrogen sites in COFs. Our results demonstrate that H{sub 2} molecule adsorbed at low temperature in seven different adsorption sites in COFs. The calculated adsorption energies are about 3 kJ/mol, comparable to that found for MOF systems. The gravimetric uptake for COF-108 reached 4.17 wt.% at room temperature and 100 bar, which makes this class of materials promising for hydrogen storage applications. (orig.)

Magnetometric and gravimetric surveys in fault detection over Acambay System

Science.gov (United States)

García-Serrano, A.; Sanchez-Gonzalez, J.; Cifuentes-Nava, G.

2013-05-01

In commemoration of the centennial of the Acambay intraplate earthquake of November 19th 1912, we carry out gravimetric and magnetometric surveys to define the structure of faults caused by this event. The study area is located approximately 11 km south of Acambay, in the Acambay-Tixmadeje fault system, where we performed two magnetometric surveys, the first consisting of 17 lines with a spacing of 35m between lines and 5m between stations, and the second with a total of 12 lines with the same spacing, both NW. In addition to these two lines we performed gravimetric profiles located in the central part of each magnetometric survey, with a spacing of 25m between stations, in order to correlate the results of both techniques, the lengths of such profiles were of 600m and 550m respectively. This work describes the data processing including directional derivatives, analytical signal and inversion, by means of which we obtain results of magnetic variations and anomaly traits highly correlated with those faults. It is of great importance to characterize these faults given the large population growth in the area and settlement houses on them, which involves a high risk in the security of the population, considering that these are active faults and cannot be discard earthquakes associated with them, so it is necessary for the authorities and people have relevant information to these problem.

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

Science.gov (United States)

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.

Limits for hydrogen production of a solar - hydrogen system in Cuernavaca, Mexico

International Nuclear Information System (INIS)

Arriaga, H.L.G.; Gutierrez, S.L.; Cano, U.

2006-01-01

In this work experimental data are used in order to estimate the production of hydrogen as a function of irradiance of a direct-interconnection of solar panel system with a SPE (Solid Polymer Electrolyte) electrolyzer (also Solar-Hydrogen system). The solar - hydrogen system, consists of a photovoltaic solar array of 36 panels (75 Watts each) of monocrystalline silicon interconnected with an electrolyzer stack of 25 cells (around 100 cm 2 of geometrical area) with a maximum hydrogen production of 1 Nm 3 /h. By the use of voltage, current density, energy consumption values of the whole solar-hydrogen system, an average efficiency up to 5% was estimated and an average of 3,800 NL of hydrogen per day can be expected. Also the maximum hydrogen production for the months of July and December (sunniest and least sunny months in the location) is predicted. (authors)

Limits for hydrogen production of a solar - hydrogen system in Cuernavaca, Mexico

Energy Technology Data Exchange (ETDEWEB)

Arriaga, H.L.G.; Gutierrez, S.L.; Cano, U. [Instituto de Investigaciones Electricas Av. Reforma 113, col. Palmira c.p.62490 Cuernavaca Morelos (Mexico)

2006-07-01

In this work experimental data are used in order to estimate the production of hydrogen as a function of irradiance of a direct-interconnection of solar panel system with a SPE (Solid Polymer Electrolyte) electrolyzer (also Solar-Hydrogen system). The solar - hydrogen system, consists of a photovoltaic solar array of 36 panels (75 Watts each) of monocrystalline silicon interconnected with an electrolyzer stack of 25 cells (around 100 cm{sup 2} of geometrical area) with a maximum hydrogen production of 1 Nm{sup 3}/h. By the use of voltage, current density, energy consumption values of the whole solar-hydrogen system, an average efficiency up to 5% was estimated and an average of 3,800 NL of hydrogen per day can be expected. Also the maximum hydrogen production for the months of July and December (sunniest and least sunny months in the location) is predicted. (authors)

Plasma diagnostic tools for optimizing negative hydrogen ion sources

International Nuclear Information System (INIS)

Fantz, U.; Falter, H.D.; Franzen, P.; Speth, E.; Hemsworth, R.; Boilson, D.; Krylov, A.

2006-01-01

The powerful diagnostic tool of optical emission spectroscopy is used to measure the plasma parameters in negative hydrogen ion sources based on the surface mechanism. Results for electron temperature, electron density, atomic-to-molecular hydrogen density ratio, and gas temperature are presented for two types of sources, a rf source and an arc source, which are currently under development for a neutral beam heating system of ITER. The amount of cesium in the plasma volume is obtained from cesium radiation: the Cs neutral density is five to ten orders of magnitude lower than the hydrogen density and the Cs ion density is two to three orders of magnitude lower than the electron density in front of the grid. It is shown that monitoring of cesium lines is very useful for monitoring the cesium balance in the source. From a line-ratio method negative ion densities are determined. In a well-conditioned source the negative ion density is of the same order of magnitude as the electron density and correlates with extracted current densities

Structural, optical, mechanical and density functional theory studies of 1H-pyrazol-2-ium hydrogen oxalate crystal

Energy Technology Data Exchange (ETDEWEB)

Devi, P. Karthiga, E-mail: karthvi19@gmail.com; Venkatachalam, K.

2016-11-01

In the present work, we have grown 1H- pyrazol-2-ium hydrogen oxalate single crystal by slow evaporation solution growth technique. The lattice parameters are determined from single crystal X ray diffraction studies. The functional groups present in the compound are confirmed by Fourier transform infrared spectroscopy. UV-Vis analysis shows that the crystal has a wide transparency window. Vicker's hardness test has been carried out to estimate the stiffness constant, fracture toughness, brittleness index and yield strength of the crystal. Density functional study B3LYP method at 6-31 G (d, p) has been performed to study the optimized structure, HOMO-LUMO energy gap, hyperpolarizability and thermodynamic properties. - Highlights: • The title compound was analyzed using FTIR and UV–Vis spectroscopy. • Mechanical study was carried out using Vicker's hardness test. • Optimized molecular geometry was determined using DFT method. • Hydrogen bonding interaction was studied through NBO analysis.

A hydrogen refill for cellular phone

Science.gov (United States)

Prosini, Pier Paolo; Gislon, Paola

A device has been designed to generate hydrogen for a fuel cell powered cellular phone. The device is based on the chemical reaction between NaBH 4 and hydrochloric/water solution to satisfy the hydrogen request at room temperature and pressure. The operation mechanism and controlling method is based on the Kipp's gas generating apparatus. A prototype has been built and tested to evaluate the optimum salt/acid and acid/solution ratios and check the hydrogen mass flow rates upon operation and the pressure variation in stand-by condition. The system works delivering hydrogen flows ranging between 0 and 10 ml min -1. In a typical test the hydrogen flow was set to 5 ml min -1 to match a 1 W power fuel cell. The working pressure was slightly higher than the atmospheric one. The hydrogen capacity was as high as 2.5% (w/w). By converting this amount of hydrogen in electricity by a fuel cell working at 0.8 V it is possible to achieve a system energy density of about 720 Wh kg -1, four times larger than commercial high energy density lithium-ion batteries.

Performance of wave function and density functional methods for water hydrogen bond spin-spin coupling constants.

Science.gov (United States)

García de la Vega, J M; Omar, S; San Fabián, J

2017-04-01

Spin-spin coupling constants in water monomer and dimer have been calculated using several wave function and density functional-based methods. CCSD, MCSCF, and SOPPA wave functions methods yield similar results, specially when an additive approach is used with the MCSCF. Several functionals have been used to analyze their performance with the Jacob's ladder and a set of functionals with different HF exchange were tested. Functionals with large HF exchange appropriately predict 1 J O H , 2 J H H and 2h J O O couplings, while 1h J O H is better calculated with functionals that include a reduced fraction of HF exchange. Accurate functionals for 1 J O H and 2 J H H have been tested in a tetramer water model. The hydrogen bond effects on these intramolecular couplings are additive when they are calculated by SOPPA(CCSD) wave function and DFT methods. Graphical Abstract Evaluation of the additive effect of the hydrogen bond on spin-spin coupling constants of water using WF and DFT methods.

{tau} - hydrogen phosphate of zirconia in sodium salt form and some of its properties; {tau} - hidrogenofosfato de zirconio en forma sodica y algunas de sus propiedades

Energy Technology Data Exchange (ETDEWEB)

Fernandez V, S.M.; Ordonez R, E. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

2004-07-01

It is reported the obtaining and characterization in the sodium salt form of the {tau}-hydrogen phosphate of zirconium in sodium form, this compound it was synthesized, for a new technique developed in the laboratory of Dept. of Chemistry of the ININ. The characterization was carried out for XRD, IR, Sem and EDS the thermal gravimetric analysis is also reported. (Author)

Kinetics and thermodynamics of hydrogen absorption and release in {beta}-titanium alloys; Kinetik und Thermodynamik der Wasserstoffaufnahme und -abgabe von {beta}-Titanlegierungen

Energy Technology Data Exchange (ETDEWEB)

Decker, M.; Christ, H.J. [Siegen Univ. (Gesamthochschule) (Germany). Inst. fuer Werkstofftechnik

1998-12-31

The work reported was intended to yield results allowing to describe as completely as possible the processes of interaction of {beta}-titanium and hydrogen. Three alloys have been selected for the experiments which suitably differ in stability of the {beta} phase. The characterisation of the hydrogen/metal interactions is primarily based on gravimetric measurements. A method was found to determine the diffusion coefficient of hydrogen, which is a significant variable for quantitative characterisation of the hydrogen absorption rate. (orig./CB) [Deutsch] In der Arbeit wird eine moeglichst vollstaendige Beschreibung der Wechselwirkung von {beta}-Titanlegierungen mit Wasserstoff angestrebt. Hierfuer wird mit drei Legierungen gearbeitet, die sich hinsichtlich der Stabilitaet der {beta}-Phase in sinnvoll abgestufter Weise unterscheiden. Fuer die Charakterisierung der Wasserstoff/Metall-Wechselwirkung wurden insbesondere gravimetrische Messungen eingesetzt. Weiterhin wurde die fuer eine quantitative Beschreibung der Wasserstoffaufnahmegeschwindigkeit wichtige Groesse des Diffusionskoeffizienten von Wasserstoff mit einem Verfahren bestimmt. (orig./MM)

Geopotential coefficient determination and the gravimetric boundary value problem: A new approach

Science.gov (United States)

Sjoeberg, Lars E.

1989-01-01

New integral formulas to determine geopotential coefficients from terrestrial gravity and satellite altimetry data are given. The formulas are based on the integration of data over the non-spherical surface of the Earth. The effect of the topography to low degrees and orders of coefficients is estimated numerically. Formulas for the solution of the gravimetric boundary value problem are derived.

Hydrogen at the Rooftop: Compact CPV-Hydrogen system to Convert Sunlight to Hydrogen

KAUST Repository

Burhan, Muhammad

2017-12-27

Despite being highest potential energy source, solar intermittency and low power density make it difficult for solar energy to compete with the conventional power plants. Highly efficient concentrated photovoltaic (CPV) system provides best technology to be paired with the electrolytic hydrogen production, as a sustainable energy source with long term energy storage. However, the conventional gigantic design of CPV system limits its market and application to the open desert fields without any rooftop installation scope, unlike conventional PV. This makes CPV less popular among solar energy customers. This paper discusses the development of compact CPV-Hydrogen system for the rooftop application in the urban region. The in-house built compact CPV system works with hybrid solar tracking of 0.1° accuracy, ensured through proposed double lens collimator based solar tracking sensor. With PEM based electrolyser, the compact CPV-hydrogen system showed 28% CPV efficiency and 18% sunlight to hydrogen (STH) efficiency, for rooftop operation in tropical region of Singapore. For plant designers, the solar to hydrogen production rating of 217 kWh/kg has been presented with 15% STH daily average efficiency, recorded from the long term field operation of the system.

Hydrogen at the Rooftop: Compact CPV-Hydrogen system to Convert Sunlight to Hydrogen

KAUST Repository

Burhan, Muhammad; Wakil Shahzad, Muhammad; Ng, Kim Choon

2017-01-01

Despite being highest potential energy source, solar intermittency and low power density make it difficult for solar energy to compete with the conventional power plants. Highly efficient concentrated photovoltaic (CPV) system provides best technology to be paired with the electrolytic hydrogen production, as a sustainable energy source with long term energy storage. However, the conventional gigantic design of CPV system limits its market and application to the open desert fields without any rooftop installation scope, unlike conventional PV. This makes CPV less popular among solar energy customers. This paper discusses the development of compact CPV-Hydrogen system for the rooftop application in the urban region. The in-house built compact CPV system works with hybrid solar tracking of 0.1° accuracy, ensured through proposed double lens collimator based solar tracking sensor. With PEM based electrolyser, the compact CPV-hydrogen system showed 28% CPV efficiency and 18% sunlight to hydrogen (STH) efficiency, for rooftop operation in tropical region of Singapore. For plant designers, the solar to hydrogen production rating of 217 kWh/kg has been presented with 15% STH daily average efficiency, recorded from the long term field operation of the system.

Merger of waste in kaolin panels medium density

International Nuclear Information System (INIS)

Bezerra, A.F.C.; Santana, L.N.L.; Neves, G.A.

2011-01-01

Medium-density panels are molded under pressure and temperature and have physical and mechanical properties similar to those of solid wood. Their composition involves fibers of eucalyptus and pine, but other residues as kaolin waste can be incorporated. The objective was to manufacture medium density panels incorporating kaolin waste and compare the physical, chemical and mechanical properties of these with other commercials. The residue was subjected to the following characterization tests: X-ray diffraction, chemical analysis, differential thermal analysis, thermal gravimetric analysis and size analysis.Through the process of pressing the samples were prepared, they were evaluated for their flexural strength and tensile strength perpendicular to the water absorption / swelling in thickness, density and moisture content. According to the analyzed results, we conclude that samples having the residue had lower levels of swelling, tensile and flexural strength and higher levels of absorption.(author)

Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons

Energy Technology Data Exchange (ETDEWEB)

Abdullahi, Yusuf Zuntu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Kaduna State University, P.M.B. 2339, Kaduna State (Nigeria); Rahman, Md. Mahmudur, E-mail: mahmudur@upm.edu.my [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Shuaibu, Alhassan [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Nigerian Defence Academy, P.M.B 2109 Kaduna (Nigeria); Abubakar, Shamsu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Yobe State University, P.M.B. 1144, Yobe State (Nigeria); Zainuddin, Hishamuddin [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Institute for Mathematical Research, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Muhida, Rifki [Department of Physics-Energy Engineering, Surya University, Gedung 01 Scientia Business Park, Jl. Boulevard Gading Serpong Blok O/1, Summarecon Serpong, Tangerang 15810, Banten (Indonesia); Setiyanto, Henry [Analytical Chemistry Research Group, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha no. 10, Bandung 40132 (Indonesia)

2014-08-15

In this paper, we have investigated stable structural, electric and magnetic properties of manganese (Mn) atom adsorption on armchair hydrogen edge-terminated boron nitride nanoribbon (A-BNNRs) using first principles method based on density-functional theory with the generalized gradient approximation. Calculation shows that Mn atom situated on the ribbons of A-BNNRs is the most stable configuration, where the bonding is more pronounced. The projected density of states (PDOS) of the favored configuration has also been computed. It has been found that the covalent bonding of boron (B), nitrogen (N) and Mn is mainly contributed by s, d like-orbitals of Mn and partially occupied by the 2p like-orbital of N. The difference in energy between the inner and the edge adsorption sites of A-BNNRs shows that Mn atoms prefer to concentrate at the edge sites. The electronic structures of the various configurations are wide, narrow-gap semiconducting and half-metallic, and the magnetic moment of Mn atoms are well preserved in all considered configurations. This has shown that the boron nitride (BN) sheet covered with Mn atoms demonstrates additional information on its usefulness in future spintronics, molecular magnet and nanoelectronics devices.

Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons

International Nuclear Information System (INIS)

Abdullahi, Yusuf Zuntu; Rahman, Md. Mahmudur; Shuaibu, Alhassan; Abubakar, Shamsu; Zainuddin, Hishamuddin; Muhida, Rifki; Setiyanto, Henry

2014-01-01

In this paper, we have investigated stable structural, electric and magnetic properties of manganese (Mn) atom adsorption on armchair hydrogen edge-terminated boron nitride nanoribbon (A-BNNRs) using first principles method based on density-functional theory with the generalized gradient approximation. Calculation shows that Mn atom situated on the ribbons of A-BNNRs is the most stable configuration, where the bonding is more pronounced. The projected density of states (PDOS) of the favored configuration has also been computed. It has been found that the covalent bonding of boron (B), nitrogen (N) and Mn is mainly contributed by s, d like-orbitals of Mn and partially occupied by the 2p like-orbital of N. The difference in energy between the inner and the edge adsorption sites of A-BNNRs shows that Mn atoms prefer to concentrate at the edge sites. The electronic structures of the various configurations are wide, narrow-gap semiconducting and half-metallic, and the magnetic moment of Mn atoms are well preserved in all considered configurations. This has shown that the boron nitride (BN) sheet covered with Mn atoms demonstrates additional information on its usefulness in future spintronics, molecular magnet and nanoelectronics devices.

Hydrogen-based electrochemical energy storage

Science.gov (United States)

Simpson, Lin Jay

2013-08-06

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

Density functional for van der Waals forces accounts for hydrogen bond in benchmark set of water hexamers

DEFF Research Database (Denmark)

Kelkkanen, Kari André; Lundqvist, Bengt; Nørskov, Jens Kehlet

2009-01-01

A recent extensive study has investigated how various exchange-correlation (XC) functionals treat hydrogen bonds in water hexamers and has shown traditional generalized gradient approximation and hybrid functionals used in density-functional (DF) theory to give the wrong dissociation-energy trend...... of low-lying isomers and van der Waals (vdW) dispersion forces to give key contributions to the dissociation energy. The question raised whether functionals that incorporate vdW forces implicitly into the XC functional predict the correct lowest-energy structure for the water hexamer and yield accurate...

Ionization of Interstellar Hydrogen

Science.gov (United States)

Whang, Y. C.

1996-09-01

Interstellar hydrogen can penetrate through the heliopause, enter the heliosphere, and may become ionized by photoionization and by charge exchange with solar wind protons. A fluid model is introduced to study the flow of interstellar hydrogen in the heliosphere. The flow is governed by moment equations obtained from integration of the Boltzmann equation over the velocity space. Under the assumption that the flow is steady axisymmetric and the pressure is isotropic, we develop a method of solution for this fluid model. This model and the method of solution can be used to study the flow of neutral hydrogen with various forms of ionization rate β and boundary conditions for the flow on the upwind side. We study the solution of a special case in which the ionization rate β is inversely proportional to R2 and the interstellar hydrogen flow is uniform at infinity on the upwind side. We solve the moment equations directly for the normalized density NH/NN∞, bulk velocity VH/VN∞, and temperature TH/TN∞ of interstellar hydrogen as functions of r/λ and z/λ, where λ is the ionization scale length. The solution is compared with the kinetic theory solution of Lallement et al. The fluid solution is much less time-consuming than the kinetic theory solutions. Since the ionization rate for production of pickup protons is directly proportional to the local density of neutral hydrogen, the high-resolution solution of interstellar neutral hydrogen obtained here will be used to study the global distribution of pickup protons.

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

Science.gov (United States)

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

2018-06-01

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

A novel muon detector for borehole density tomography

Science.gov (United States)

Bonneville, Alain; Kouzes, Richard T.; Yamaoka, Jared; Rowe, Charlotte; Guardincerri, Elena; Durham, J. Matthew; Morris, Christopher L.; Poulson, Daniel C.; Plaud-Ramos, Kenie; Morley, Deborah J.; Bacon, Jeffrey D.; Bynes, James; Cercillieux, Julien; Ketter, Chris; Le, Khanh; Mostafanezhad, Isar; Varner, Gary; Flygare, Joshua; Lintereur, Azaree T.

2017-04-01

Muons can be used to image the density of materials through which they pass, including geological structures. Subsurface applications of the technology include tracking fluid migration during injection or production, with increasing concern regarding such timely issues as induced seismicity or chemical leakage into aquifers. Current density monitoring options include gravimetric data collection and active or passive seismic surveys. One alternative, or complement, to these methods is the development of a muon detector that is sufficiently compact and robust for deployment in a borehole. Such a muon detector can enable imaging of density structure to monitor small changes in density - a proxy for fluid migration - at depths up to 1500 m. Such a detector has been developed, and Monte Carlo modeling methods applied to simulate the anticipated detector response. Testing and measurements using a prototype detector in the laboratory and shallow underground laboratory demonstrated robust response. A satisfactory comparison with a large drift tube-based muon detector is also presented.

NMR studies of hydrogen diffusion in hydrogen uranyl phosphate tetrahydrate (HUP)

International Nuclear Information System (INIS)

Metcalfe, K.

1988-01-01

1 H NMR spin-lattice relaxation times, T 1 (Zeeman) and T 1p (rotating frame) and spin-spin relaxation times, T 2 , and 31 P NMR solid-echoes are reported for phase I and II of hydrogen uranyl phosphate tetrahydrate (HUP) at temperatures in the range 200-323 K. The spectral density functions extracted from the measured relaxation times for phases I and II are consistent with a 2D diffusion mechanism for hydrogen motion. 31 P second moments determined from the solid-echoes show that all the hydrogens diffuse rapidly in phase I, and that the hydrogen-bond site nearest to the phosphate oxygen is not occupied in phase II. The mechanism for diffusion in phase II is discussed. 30 refs.; 6 figs.; 2 tabs

Hydrogen adsorption in metal-decorated silicon carbide nanotubes

Science.gov (United States)

Singh, Ram Sevak; Solanki, Ankit

2016-09-01

Hydrogen storage for fuel cell is an active area of research and appropriate materials with excellent hydrogen adsorption properties are highly demanded. Nanotubes, having high surface to volume ratio, are promising storage materials for hydrogen. Recently, silicon carbide nanotubes have been predicted as potential materials for future hydrogen storage application, and studies in this area are ongoing. Here, we report a systematic study on hydrogen adsorption properties in metal (Pt, Ni and Al) decorated silicon carbide nanotubes (SiCNTs) using first principles calculations based on density functional theory. The hydrogen adsorption properties are investigated by calculations of adsorption energy, electronic band structure, density of states (DOS) and Mulliken charge population analysis. Our findings show that hydrogen adsorptions on Pt, Ni and Al-decorated SiCNTs undergo spontaneous exothermic reactions with significant modulation of electronic structure of SiCNTs in all cases. Importantly, according to the Mulliken charge population analysis, dipole-dipole interaction causes chemisorptions of hydrogen in Pt, Ni and Al decorated SiCNTs with formation of chemical bonds. The study is a platform for the development of metal decorated SiCNTs for hydrogen adsorption or hydrogen storage application.

Metal ammine complexes for hydrogen storage

DEFF Research Database (Denmark)

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

2005-01-01

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

Determination of plutonium in pure plutonium nitrate solutions - Gravimetric method

International Nuclear Information System (INIS)

1987-01-01

This International Standard specifies a precise and accurate gravimetric method for determining the concentration of plutonium in pure plutonium nitrate solutions and reference solutions, containing between 100 and 300 g of plutonium per litre, in a nitric acid medium. The weighed portion of the plutonium nitrate is treated with sulfuric acid and evaporated to dryness. The plutonium sulfate is decomposed and formed to oxide by heating in air. The oxide is ignited in air at 1200 to 1250 deg. C and weighed as stoichiometric plutonium dioxide, which is stable and non-hygroscopic

Periodic density functional theory study of ethylene hydrogenation over Co3O4 (1 1 1) surface: The critical role of oxygen vacancies

International Nuclear Information System (INIS)

Lu, Jinhui; Song, JiaJia; Niu, Hongling; Pan, Lun; Zhang, Xiangwen; Wang, Li; Zou, Ji-Jun

2016-01-01

Highlights: • H 2 dissociates in heterolytic way following H atoms migration to form O−H bond. • H 2 dissociation occurs at low temperature on perfect and oxygen defective Co 3 O 4 . • Oxygen vacancy promotes hydrogenation thermodynamically and kinetically. • O−H bond is weakened on oxygen defective surface. • Hydrogenation requires compromise between H−H activation and O−H breakage. - Abstract: Recently, metal oxides are attracting increasing interests as hydrogenation catalyst. Herein we studied the hydrogenation of ethylene on perfect and oxygen defective Co 3 O 4 (1 1 1) using periodic density functional theory. The energetics and pathways of ethylene hydrogenation to ethane were determined. We have demonstrated that (i) H 2 dissociation on Co 3 O 4 is a complicated two-step process through a heterolytic cleavage, followed by the migration of H atom and finally yields the homolytic product on both perfect and oxygen defective Co 3 O 4 (1 1 1) surfaces easily. (ii) After introducing the surface oxygen vacancy, the stepwise hydrogenation of ethylene by atomic hydrogen is much easier than that on perfect surface due to the weaker bond strength of OH group. The strength of O−H bond is a crucial factor for the hydrogenation reaction which involves the breakage of O−H bond. The formation of oxygen vacancy increases the electronic charges at the adjacent surface O, which reduces its capability of further gaining electrons from adsorbed atomic hydrogen and then weakens the strength of O−H bond. These results emphasize the importance of the oxygen vacancies for hydrogenation on metal oxides.

Hydrogen storage using microporous carbon materials

International Nuclear Information System (INIS)

B Buczek; E Wolak

2005-01-01

In the present century hydrogen will be the most important source of energy and will replace petroleum and petroleum-derived products in the next future. Hydrogen is an almost ideal fuel, both because of its unlimited accessibility and for ecological reasons; the product of its combustion - water vapour - is neither any gaseous contamination nor a component of greenhouse gases. Nowadays hydrogen is applied in industrial processes, but may be also used as a source of house lighting and heating energy, for production of electricity, and as fuel for car engines. Fuel cells, applying reaction between hydrogen and oxygen for production of electricity have been for a long time used in the space technology. Application of hydrogen as fuel should give a possibility of storage and transfer of the high quality energy, i.e. the energy of a high exo-energetic ratio. Due to its low density, one of the main obstacles to the widespread use of hydrogen in energy sector is an efficient storage technology. At present, the methods of hydrogen storage are to liquefy and store in refrigerated containers, which is very expensive, or to store it in high - pressure gas cylinders at room temperature. Unfortunately, low storage density of hydrogen for the latter technique is a significant drawback. Between alternatives have been considered (chemical storage in irreversible hydrogen carriers like methanol or ammonia, reversible metal and chemical hydrides and adsorption in porous media), the latter one seems to lie the most promising. Physical adsorption is a method by which more gas can be stored at a lower pressure by means of Van der Waals interactions at the gas solid interface. Adsorptive storage is particularly promising for permanent gases, which need to be stored, transported, or used in ambient temperature. Thanks to the high density of adsorbed phase, adsorptive storage system could allow the storage of a high density of hydrogen at much lower pressures than compression and higher

Cross-cutting High Surface Area Graphene-based Frameworks with Controlled Pore Structure/Dopants

Energy Technology Data Exchange (ETDEWEB)

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

2017-09-28

The goal of this project is to enhance the performance of graphene-based materials by manufacturing specific 3D architectures. The materials have global applications regarding fuel cell catalysts, gas adsorbents, supercapacitor/battery electrodes, ion (e.g., actinide) capture, gas separation, oil adsorption, and catalysis. This research focuses on hydrogen storage for hydrogen fuel cell vehicles with a potential transformational impact on hydrogen adsorbents that exhibit high gravimetric and volumetric density, a clean energy application sought by the Department of Energy. The development of an adsorbent material would enable broad commercial opportunities in hydrogen-fueled vehicles, promote new advanced nanomanufacturing scale-up, and open other opportunities at Savannah River National Laboratory to utilize a high surface area material that is robust, chemically stable, and radiation resistant.

Cross-cutting High Surface Area Graphene-based Frameworks with Controlled Pore Structure/Dopants

International Nuclear Information System (INIS)

Gaillard, J.

2017-01-01

The goal of this project is to enhance the performance of graphene-based materials by manufacturing specific 3D architectures. The materials have global applications regarding fuel cell catalysts, gas adsorbents, supercapacitor/battery electrodes, ion (e.g., actinide) capture, gas separation, oil adsorption, and catalysis. This research focuses on hydrogen storage for hydrogen fuel cell vehicles with a potential transformational impact on hydrogen adsorbents that exhibit high gravimetric and volumetric density, a clean energy application sought by the Department of Energy. The development of an adsorbent material would enable broad commercial opportunities in hydrogen-fueled vehicles, promote new advanced nanomanufacturing scale-up, and open other opportunities at Savannah River National Laboratory to utilize a high surface area material that is robust, chemically stable, and radiation resistant.

A novel method for producing magnesium based hydrogen storage alloys

International Nuclear Information System (INIS)

Walton, A.; Matthews, J.; Barlow, R.; Almamouri, M.M.; Speight, J.D.; Harris, I.R.

2003-01-01

Conventional melt casting techniques for producing Mg 2 Ni often result in no stoichiometric compositions due to the excess Mg which is added to the melt in order to counterbalance sublimation during processing. In this work a vapour phase process known as Low Pressure Pack Sublimation (LPPS) has been used to coat Ni substrates with Mg at 460-600 o C producing layers of single phase Mg 2 Ni. Ni substrates coated to date include powder, foils and wire. Using Ni-Fe substrates it has also been demonstrated that Fe can be distributed through the Mg 2 Ni alloy layer which could have a beneficial effect on the hydrogen storage characteristics. The alloy layers formed have been characterised by XRD and SEM equipped with EDX analysis. Hydrogen storage properties have been evaluated using an Intelligent Gravimetric Analyser (IGA). LPPS avoids most of the sintering of powder particles during processing which is observed in other vapour phase techniques while producing a stoichiometric composition of Mg 2 Ni. It is also a simple, low cost technique for producing these alloys. (author)

Hydrogen diffusion and microstructure in undoped and boron-dope hydrogenated amorphous silicon: An IR and SIMS study

International Nuclear Information System (INIS)

Mitra, S.

1991-01-01

Hydrogenated amorphous silicon (a-Si:H) prepared by rf sputtering of a polycrystalline Si target at various rf powers 50 ≤ P ≤ 550 W (0.27--2.97 W/cm 2 ), target to substrate distance 1 ≤ d ≤ 2 double-prime, and varying hydrogen partial pressures. Doping was accomplished by introducing diborane (B 2 H 6 ) in the plasma. Hydrogen diffusion was studied from the depth profiles obtained from the SIMS on multilayered a-Si:H/a-Si:(H,D)/a-Si:H samples. The properties of the samples were characterized by IR absorption, optical gap measurements and ESR. IR yielded quantitative and qualitative information total hydrogen content and the nature of the hydrogen bonding, respectively. Hence the hydrogen microstructure of the samples could be varied in a systematic manner and monitored from the hydrogen vibrational modes. The ESR gave information on the number of paramagnetic defects per unit volume in the samples. The IR absorption of both as-deposited and annealed samples were closely monitored and the results clearly demonstrate a strong correlation between hydrogen diffusion and its microstructure. It is shown that microvoids in a-Si:H play a critical role in the process of diffusion by inducing deep hydrogen trapping sites that render them immobile. Consequently, as the microvoid density increases beyond a critical density hydrogen diffusion is totally quenched. The diffusion results are discussed both in the context of multiple trapping transport of hydrogen in an exponential distribution of trapping sites and the floating bond model

Study of the corrosion behavior of magnesium alloy weldings in NaCl solutions by gravimetric tests

Directory of Open Access Journals (Sweden)

Segarra, José A.

2015-09-01

Full Text Available In this article, the corrosion behavior of commercial AZ31 welded plates in aqueous chloride media was investigated by means of gravimetric techniques and Neutral Salt Spray tests (NSS. The AZ31 samples tested were welded using Gas Tugsten Arc Welding (GTAW and different filler materials. Material microstructures were investigated by optical microscopy to stablish the influence of those microstructures in the corrosion behavior. Gravimetric and NSS tests indicate that the use of more noble filler alloys for the sample welding, preventing the reduction of aluminum content in weld beads, does not imply a better corrosion behavior.En este artículo se ha investigado el comportamiento frente a la corrosión en medios acuosos salinos de chapas soldadas de aleación AZ31 mediante técnicas gravimétricas y ensayo en cámara de niebla salina. Las muestras estudiadas han sido soldadas mediante soldadura TIG (Tungsten Inert Gas y con diferentes materiales de aporte. En el estudio se ha empleado microscopía óptica para analizar la microestructura. Los ensayos de gravimetría y los ensayos de niebla salina indican que el empleo de materiales de aporte más nobles para soldar las muestras evitando la disminución del contenido en aluminio en los cordones, no implica un mejor comportamiento frente a la corrosión.

Thermodynamics and vibrational study of hydrogenated carbon nanotubes: A DFT study

Science.gov (United States)

Khalil, Rana M. Arif; Hussain, Fayyaz; Rana, Anwar Manzoor; Imran, Muhammad

2018-02-01

Thermodynamic stability of the hydrogenated carbon nanotubes has been explored in the chemisorption limit. Statistical physics and density functional theory calculations have been used to predict hydrogen release temperatures at standard pressure in zigzag and armchair carbon nanotubes. It is found that hydrogen release temperatures decrease with increase in diameters of hydrogenated zigzag carbon nanotubes (CNTs) but opposite trend is noted in armchair CNTs at standard pressure of 1 bar. The smaller diameter hydrogenated zigzag CNTs have large values of hydrogen release temperature due to the stability of Csbnd H bonds. The vibrational density of states for hydrogenated carbon nanotubes have been calculated to confirm the Csbnd H stretching mode caused by sp3 hybridization.

Probing the structure, stability and hydrogen adsorption of lithium functionalized isoreticular MOF-5 (Fe, Cu, Co, Ni and Zn) by density functional theory.

Science.gov (United States)

Venkataramanan, Natarajan Sathiyamoorthy; Sahara, Ryoji; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

2009-04-14

Li adsorption on isoreticular MOFs with metal Fe, Cu, Co, Ni and Zn was studied using density function theory. Li functionalization shows a considerable structural change associated with a volume change in isoreticular MOF-5 except for the Zn metal center. Hydrogen binding energies on Li functionalized MOFs are seen to be in the range of 0.2 eV, which is the desired value for an ideal reversible storage system. This study has clearly shown that Li doping is possible only in Zn-based MOF-5, which would be better candidate to reversibly store hydrogen.

Probing the Structure, Stability and Hydrogen Adsorption of Lithium Functionalized Isoreticular MOF-5 (Fe, Cu, Co, Ni and Zn by Density Functional Theory

Directory of Open Access Journals (Sweden)

Yoshiyuki Kawazoe

2009-04-01

Full Text Available Li adsorption on isoreticular MOFs with metal Fe, Cu, Co, Ni and Zn was studied using density function theory. Li functionalization shows a considerable structural change associated with a volume change in isoreticular MOF-5 except for the Zn metal center. Hydrogen binding energies on Li functionalized MOFs are seen to be in the range of 0.2 eV, which is the desired value for an ideal reversible storage system. This study has clearly shown that Li doping is possible only in Zn-based MOF-5, which would be better candidate to reversibly store hydrogen.

Modified method for zirconium or hafnium gravimetric determination with glycolic acid derivatives

International Nuclear Information System (INIS)

Barbieri, R.S.; Rocha, J.C.; Terra, V.R.; Marques Neto, A.

1989-01-01

The conditions for gravimetric determination of zirconium or hafnium by glicolic acid derivatives were studied by thermogravimetric analysis. The method utilized shown that after precipitation, washing and drying of precipitates at 150 0 C, the resulting solid was weighed in the form of [M{RCH(OH)COO} 4 ] (M = Zr,Hf;R = C 6 H 5 , β-C 10 H 7 ,p-BrC 6 H 4 ). (author) [pt

Comparison Of Metal Corrosion Inhibition By Gravimetric And Linear Polarization Resistance Methods

OpenAIRE

Banerji, Shankha

1992-01-01

Studies were conducted to evaluate the effectiveness of various dosages of the selected silicate and phosphate compounds applied for corrosion inhibition of cast iron, copper, lead, and galvanized steel specimens. The compounds selected for study were zinc polyphosphate (Calgon C-39), zinc orthophosphate (Virchem V-931), sodium metasilicate and glassy silicate. The effectiveness of these compounds for corrosion inhibition were studied under differing water quality conditions using gravimetric...

Study of density jump in helicon-wave induced H2 plasma

International Nuclear Information System (INIS)

Jiang Fan; Cheng Xinlu; Xiong Zhenwei; Wu Weidong; Wang Yuying; Gao Yingxue; Dai Yang

2012-01-01

Hydrogen plasmas electron density and electron energy distribution function EEDF were studied with Langmuir probe. Two jumps were observed in the variation of the electron density with the radio frequency power. The relative intensity ratio of hydrogen plasmas spectrum line H α , H β and H γ validated this phenomenon. Two density jumps illuminated the transition of discharge mode,which labeled as capacitive, inductive and helicon-wave mode. In this work, the density jumps are explained from two sides, one is the interaction between electrons and hydrogen molecules, the other is Nagoya type III (N-type) antenna-plasma coupling. With the increase of radiofrequency power, the interaction between electron and hydrogen molecule has been enhanced which causes the electron density jumps. The antenna couples well to plasmas when transverse field E y is maximum, and the wave vector of k z locates at π/l a or 3π/l a , corresponding to the first and second density jump. (authors)

Metal oxide/hydrogen secondary battery; Kinzoku sankabutsu/suiso niji denchi

Energy Technology Data Exchange (ETDEWEB)

Hosobuchi, H.; Ema, M.

1995-12-12

Since the shape of powder produced by crushing the hydrogen storage alloy containing rare earth element varies widely, the density of the negative electrode made by packing the alloy powder is low. As a result, the secondary battery employing this negative electrode has a small discharge capacity. This invention solves the problem. Employing the hydrogen storage alloy containing rare earth element composed of particle shape of aspect ratio, A, of over 1.0 and below 3.0 gives rise to the negative electrode with high packing density, improving the discharge capacity of the metal oxide - hydrogen secondary battery. The more the shape of powder of hydrogen storage alloy containing rare earth element is near to sphere, the higher the packing density of negative electrode made of the hydrogen storage alloy containing rare earth element becomes. The preferable aspect ratio, A, of the powder is 1.0 {le} A {le} 2.0. Such alloy powder can be produced by mechanically grinding the rare-earth-element-containing hydrogen alloy ingot, or grinding by hydration, or grinding by atomizing followed by sieving. 1 fig., 1 tab.

Seasonal variability of the hydrogen exosphere of Mars

Science.gov (United States)

Halekas, J. S.

2017-05-01

The Mars Atmosphere and Volatile EvolutioN (MAVEN) mission measures both the upstream solar wind and collisional products from energetic neutral hydrogen atoms that precipitate into the upper atmosphere after their initial formation by charge exchange with exospheric hydrogen. By computing the ratio between the densities of these populations, we derive a robust measurement of the column density of exospheric hydrogen upstream of the Martian bow shock. By comparing with Chamberlain-type model exospheres, we place new constraints on the structure and escape rates of exospheric hydrogen, derived from observations sensitive to a different and potentially complementary column from most scattered sunlight observations. Our observations provide quantitative estimates of the hydrogen exosphere with nearly complete temporal coverage, revealing order of magnitude seasonal changes in column density and a peak slightly after perihelion, approximately at southern summer solstice. The timing of this peak suggests either a lag in the response of the Martian atmosphere to solar inputs or a seasonal effect driven by lower atmosphere dynamics. The high degree of seasonal variability implied by our observations suggests that the Martian atmosphere and the thermal escape of light elements depend sensitively on solar inputs.

Hydrogen axion star: metallic hydrogen bound to a QCD axion BEC

Energy Technology Data Exchange (ETDEWEB)

Bai, Yang; Barger, Vernon; Berger, Joshua [Department of Physics, University of Wisconsin-Madison,1150 University Ave, Madison, WI 53706 (United States)

2016-12-23

As a cold dark matter candidate, the QCD axion may form Bose-Einstein condensates, called axion stars, with masses around 10{sup −11} M{sub ⊙}. In this paper, we point out that a brand new astrophysical object, a Hydrogen Axion Star (HAS), may well be formed by ordinary baryonic matter becoming gravitationally bound to an axion star. We study the properties of the HAS and find that the hydrogen cloud has a high pressure and temperature in the center and is likely in the liquid metallic hydrogen state. Because of the high particle number densities for both the axion star and the hydrogen cloud, the feeble interaction between axion and hydrogen can still generate enough internal power, around 10{sup 13} W×(m{sub a}/5 meV){sup 4}, to make these objects luminous point sources. High resolution ultraviolet, optical and infrared telescopes can discover HAS via black-body radiation.

Progress of Nuclear Hydrogen Program in Korea

International Nuclear Information System (INIS)

Lee, Won Jae

2009-01-01

To cope with dwindling fossil fuels and climate change, it is clear that a clean alternative energy that can replace fossil fuels is required. Hydrogen is considered a promising future energy solution because it is clean, abundant and storable and has a high energy density. As other advanced countries, the Korean government had established a long-term vision for transition to the hydrogen economy in 2005. One of the major challenges in establishing a hydrogen economy is how to produce massive quantities of hydrogen in a clean, safe and economical way. Among various hydrogen production methods, the massive, safe and economic production of hydrogen by water splitting using a very high temperature gas-cooled reactor (VHTR) can provide a success path to the hydrogen economy. Particularly in Korea, where usable land is limited, the nuclear production of hydrogen is deemed a practical solution due to its high energy density. To meet the expected demand for hydrogen, the Korea Atomic Energy Institute (KAERI) launched a nuclear hydrogen program in 2004 together with Korea Institute of Energy Research (KIER) and Korea Institute of Science and Technology (KIST). Then, the nuclear hydrogen key technologies development program was launched in 2006, which aims at the development and validation of key and challenging technologies required for the realization of the nuclear hydrogen production demonstration system. In 2008, Korean Atomic Energy Commission officially approved a long-term development plan of the nuclear hydrogen system technologies as in the figure below and now the nuclear hydrogen program became the national agenda. This presentation introduces the current status of nuclear hydrogen projects in Korea and the progress of the nuclear hydrogen key technologies development. Perspectives of nuclear process heat applications are also addressed

Photometrically measured continuous personal PM(2.5) exposure: levels and correlation to a gravimetric method.

Science.gov (United States)

Lanki, Timo; Alm, Sari; Ruuskanen, Juhani; Janssen, Nicole A H; Jantunen, Matti; Pekkanen, Juha

2002-05-01

There is evidence that hourly variations in exposure to airborne particulate matter (PM) may be associated with adverse health effects. Still there are only few published data on short-term levels of personal exposure to PM in community settings. The objectives of the study were to assess hourly and shorter-term variations in personal PM(2.5) exposure in Helsinki, Finland, and to compare results from portable photometers to simultaneously measured gravimetric concentrations. The effect of relative humidity on the photometric results was also evaluated. Personal PM(2.5) exposures of elderly persons were assessed for 24 h every second week, resulting in 308 successful measurements from 47 different subjects. Large changes in concentrations in minutes after cooking or changing microenvironment were seen. The median of daily 1-h maxima was over twice the median of 24-h averages. There was a strong significant association between the two means, which was not linear. Median (95th percentile) of the photometric 24-h concentrations was 12.1 (37.7) and of the 24-h gravimetric concentrations 9.2 (21.3) microg/m3. The correlation between the photometric and the gravimetric method was quite good (R2=0.86). Participants spent 94.1% of their time indoors or in a vehicle, where relative humidity is usually low and thus not likely to cause significant effects on photometric results. Even outdoors, the relative humidity had only modest effect on concentrations. Photometers are a promising method to explore the health effects of short-term variation in personal PM(2.5) exposure.

Hydrogen Storage in Metal-Organic Frameworks

Energy Technology Data Exchange (ETDEWEB)

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

2016-04-28

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

A new and simple gravimetric method for determination of uranium

International Nuclear Information System (INIS)

Saxena, A.K.

1994-01-01

A new and simple gravimetric method for determining uranium has been described. Using a known quantity of uranyl nitrate as the test solution, an alcoholic solution of 2-amino-2-methyl 1:3 propanediol (AMP) was added slowly. A yellow precipitate was obtained which was filtered through ashless filter paper, washed with alcohol, dried and ignited at 800 degC for 4h. It gave a black powder as a product which was shown by X-ray diffraction to be U 3 O 8 . The percentage error was found in the range -0.09 to +0.89. (author). 8 refs., 1 tab

Synthesis and characterization of hydrogen-bond acidic functionalized graphene

Science.gov (United States)

Yang, Liu; Han, Qiang; Pan, Yong; Cao, Shuya; Ding, Mingyu

2014-05-01

Hexafluoroisopropanol phenyl group functionalized materials have great potential in the application of gas-sensitive materials for nerve agent detection, due to the formation of strong hydrogen-bonding interactions between the group and the analytes. In this paper, take full advantage of ultra-large specific surface area and plenty of carbon-carbon double bonds and hexafluoroisopropanol phenyl functionalized graphene was synthesized through in situ diazonium reaction between -C=C- and p-hexafluoroisopropanol aniline. The identity of the as-synthesis material was confirmed by transmission electron microscopy, Raman spectroscopy, ultraviolet visible spectroscopy, X-ray photoelectron spectroscopy and thermo gravimetric analysis. The synthesis method is simply which retained the excellent physical properties of original graphene. In addition, the novel material can be assigned as an potential candidate for gas sensitive materials towards organophosphorus nerve agent detection.

Gravimetric determination of hafnium through its arsenate in carbide and boride of hafnium

International Nuclear Information System (INIS)

Rasulbekova, R.A.; Mamedov, I.A.

1976-01-01

A gravimetric method of determining hafnium through hydroarsenate has been recommended. The method differs from the known ones by its simplicity and by the recalculation coefficient which is more than by 50% smaller than that used in preparing a weight form of HfO 2 . Upon development of gravimetric determination of hafnium through hydro-and pyroarsenate, an investigation has been conducted with the aim to find some physico-chemical constants of hafnium hydroarsenate. The weighed amount of hafnium hydroarsenate is dissolved in sulphuric acid (2:5). The precipitate of hafnium hydroarsenate has been studied for recording infrared absorption spectra. Thermographic analysis of the precipitate has been performed. Thermogram reveals endothermal effect at 105 deg C and exothermal at 840 deg C. Water solubility of hafnium has been determined equal to 1.75x10 6 g mol/l. The corresponding solubility product of the precipitate has been calculated which is 2.1x10 -17 . It is shown that the method possesses certain selectivity, sufficient accuracy, and is rather fast. It has been established that determination can be performed in the presence of excess amounts of ions

Optimizing the hydrogen storage in boron nitride nanotubes by defect engineering

Energy Technology Data Exchange (ETDEWEB)

Oezdogan, Kemal; Berber, Savas [Physics Department, Gebze Institute of Technology, Cayirova Kampusu, Gebze, 41400 Kocaeli (Turkey)

2009-06-15

We use ab initio density functional theory calculations to study the interaction of hydrogen with vacancies in boron nitride nanotubes to optimize the hydrogen storage capacity through defect engineering. The vacancies reconstruct by forming B-B and N-N bonds across the defect site, which are not as favorable as heteronuclear B-N bonds. Our total energy and structure optimization results indicate that the hydrogen cleaves these reconstructing bonds to form more stable atomic structures. The hydrogenated defects offer smaller charge densities that allow hydrogen molecule to pass through the nanotube wall for storing hydrogen inside the nanotubes. Our optimum reaction pathway search revealed that hydrogen molecules could indeed go through a hydrogenated defect site with relatively small energy barriers compared to the pristine nanotube wall. The calculated activation energies for different diameters suggest a preferential diameter range for optimum hydrogen storage in defective boron nitride nanotubes. (author)

Atomistic Modelling of Materials for Clean Energy Applications : hydrogen generation, hydrogen storage, and Li-ion battery

OpenAIRE

Qian, Zhao

2013-01-01

In this thesis, a number of clean-energy materials for hydrogen generation, hydrogen storage, and Li-ion battery energy storage applications have been investigated through state-of-the-art density functional theory. As an alternative fuel, hydrogen has been regarded as one of the promising clean energies with the advantage of abundance (generated through water splitting) and pollution-free emission if used in fuel cell systems. However, some key problems such as finding efficient ways to prod...

Nickel-hydrogen bipolar battery system

Science.gov (United States)

Thaller, L. H.

1982-01-01

Rechargeable nickel-hydrogen systems are described that more closely resemble a fuel cell system than a traditional nickel-cadmium battery pack. This was stimulated by the currently emerging requirements related to large manned and unmanned low Earth orbit applications. The resultant nickel-hydrogen battery system should have a number of features that would lead to improved reliability, reduced costs as well as superior energy density and cycle lives as compared to battery systems constructed from the current state-of-the-art nickel-hydrogen individual pressure vessel cells.

Tectonic evolution of the Paranoá basin: New evidence from gravimetric and stratigraphic data

Science.gov (United States)

Martins-Ferreira, Marco Antonio Caçador; Campos, José Eloi Guimarães; Von Huelsen, Monica Giannoccaro

2018-06-01

Field gravimetric and stratigraphic surveys were conducted with the aim to constraint the mechanisms responsible for the initiation of the Stenian-Tonian Paranoá basin, central Brazil, a subject not yet studied in detail. The Paranoá Group crops out in the external zone of the Brasília Belt, a Neoproterozoic orogen in the western margin of the São Francisco Craton. Detailed geological mapping confirmed the existence of a regional scale fault that controlled sedimentation of the Paranoá Group during the deposition of its basal formations, revealing important details about basin initiation and early evolution. Gravimetric modeling indicates the existence of paleorift structures beneath the Paranoá sequence in the study area. Results from both stratigraphic and gravimetric surveys show strong evidence of mechanical subsidence by faulting during basin initiation. Unsorted, angular, clasts cut by quartz veins and brecciated boulders present in the basal conglomerate, support this hypothesis. Basin initiation faults coincide with deeper paleorift faults and are thus interpreted as reactivations of the older Statherian Araí Rift. The reactivations favored an initial regime of mechanical subsidence, dominated by the development of epirogenic arches subsiding at different rates. Apart from faulting activity, the post-basal sequence presents no evidence of rift environment in the strict sense. Besides, the great lateral continuity and relatively constant thickness of facies, indicate that an initial mechanic subsidence rapidly gave way to flexural subsidence during subsequent stages of basin evolution. The Paranoá Group do not present reliable characteristics that would allow its strict classification as a passive margin. Its main stratigraphic characteristics, tectonic location and basement architecture, indicate that the Paranoá Group was deposited in a cratonic margin basin, and may have been either connected to a passive margin basin at times of sea level rise

Atomic hydrogen determination in medium-pressure microwave discharge hydrogen plasmas via emission actinometry

International Nuclear Information System (INIS)

Geng Zicai; Xu Yong; Yang Xuefeng; Wang Weiguo; Zhu Aimin

2005-01-01

Atomic hydrogen plays an important role in the chemical vapour deposition of functional materials, plasma etching and new approaches to the chemical synthesis of hydrogen-containing compounds. This work reports experimental determinations of atomic hydrogen in microwave discharge hydrogen plasmas formed from the TM 01 microwave mode in an ASTeX-type reactor, via optical emission spectroscopy using Ar as an actinometer. The relative intensities of the H atom Balmer lines and Ar-750.4 nm emissions as functions of input power and gas pressure have been investigated. At an input microwave power density of 13.5 W cm -3 , the approximate hydrogen dissociation fractions calculated from electron-impact excitation and quenching cross sections in the literature, decreased from ∼0.08 to ∼0.03 as the gas pressure was increased from 5 to 25 Torr. The influences of the above cross sections, and the electron and gas temperatures of the plasmas on the determination of the hydrogen dissociation fraction data have been discussed

A cost-effective technique for integrating personal radiation dose assessment with personal gravimetric sampling

International Nuclear Information System (INIS)

Strydom, R.; Rolle, R.; Van der Linde, A.

1992-01-01

During recent years there has been an increasing awareness internationally of radiation levels in the mining and milling of radioactive ores, including those from non-uranium mines. A major aspect of radiation control is concerned with the measurement of radiation levels and the assessment of radiation doses incurred by individual workers. Current techniques available internationally for personnel monitoring of radiation exposures are expensive and there is a particular need to reduce the cost of personal radiation monitoring in South African gold mines because of the large labour force employed. In this regard the obvious benefits of integrating personal radiation monitoring with existing personal monitoring systems already in place in South African gold mines should be exploited. A system which can be utilized for this purpose is personal gravimetric sampling. A new cost-effective technique for personal radiation monitoring, which can be fully integrated with the personal gravimetric sampling strategy being implemented on mines, has been developed in South Africa. The basic principles of this technique and its potential in South African mines are described. 9 refs., 7 figs

Near infrared spectrometry for faecal fat measurement: comparison with conventional gravimetric and titrimetric methods.

Science.gov (United States)

Benini, L; Caliari, S; Guidi, G C; Vaona, B; Talamini, G; Vantini, I; Scuro, L A

1989-01-01

This investigation was aimed at comparing a new method for measuring faecal fat excretion, carried out with a semi-automated instrument by using near infrared analysis (NIRA), with the traditional titrimetric (Van de Kamer) and gravimetric (Sobel) methods. Near infrared analysis faecal fat was assayed on the three day stool collection from 118 patients (68 chronic pancreatitis, 19 organic diseases of the gastrointestinal tract, 19 alcoholic liver disease, 12 functional gastrointestinal disorders). A strict linear correlation was found between NIRA and both the titrimetric (r = 0.928, p less than 0.0001) and the gravimetric (r = 0.971, p less than 0.0001) methods. On homogenised faeces, a mean coefficient of variation of 2.1 (SD 1.71)% was found. Before homogenisation (where a mean coefficient of variation of 7% was found) accurate results were obtained when the mean of five measurements was considered. In conclusion, the assay of faecal fat excretion by the near infrared reflessometry appears a simple, rapid and reliable method for measuring steatorrhoea. PMID:2583563

Determination of uranium in coated fuel particle compact by potassium fluoride fusion-gravimetric method

International Nuclear Information System (INIS)

Ito, Mitsuo; Iso, Shuichi; Hoshino, Akira; Suzuki, Shuichi.

1992-03-01

Potassium fluoride-gravimetric method has been developed for the determination of uranium in TRISO type-coated fuel particle compact. Graphite matrix in the fuel compact is burned off by heating it in a platinum crucible at 850degC. The coated fuel particles thus obtained are decomposed by fusion with potassium fluoride at 900degC. The melt was dissolved with sulfuric acid. Uranium is precipitated as ammonium diuranate, by passing ammonia gas through the solution. The resulting precipitate is heated in a muffle furnace at 850degC, to convert uranium into triuranium octoxide. Uranium in the triuranium octoxide was determined gravimetrically. Ten grams of caoted fuel particles were completely decomposed by fusion with 50 g of potassium fluoride at 900degC for 3 hrs. Analytical result for uranium in the fuel compact by the proposed method was 21.04 ± 0.05 g (n = 3), and was in good agreement with that obtained by non-destructive γ-ray measurement method : 21.01 ± 0.07 g (n = 3). (author)

The Comparison Of Silicon Analysis For The Uranium Silicide Fuel Using Spectrophotometrical And Gravimetrical Methods

International Nuclear Information System (INIS)

Putro, P. K.; Suripto, A.; Putra, S.; Gunanjar

1996-01-01

The analysis of silicon content in the uranium silicide fuel spectro-photometrical and gravimetrical method have been performed. The nitrous oxide-acetylene was used in the atomic absorption spectrophotometry (AAS) on the wave length of 251.6 nm, and the mixture of ammonium hepta molybdate complexes and SnC1 2 as reductor were applied during analysis by UV-VIS spectrophotometry (UV-VIS) on the wave length of 757.5 mm. The reagent of HCLO 4 and HNO 3 were used for determining Si content by gravimetrical methods. The results of this comparison is as follows: the accuracy result is around 96.37 % + 0.24 % for the Si concentration up to 300 ppm (the AAS), is 138.60 % = 0.43 % for the Si concentration range between 0.1-1.5 ppm (UV-VIS), and is 51.13 % + 0.8 % for 1 gram of Si (gravimetry). The results also show that the lowest analytical error is obtained by AAS method

Profiles of plasma parameters and density of negative hydrogen ions by laser detachment measurements in RF-driven ion sources

International Nuclear Information System (INIS)

Christ-Koch, Sina

2007-01-01

This work shows the application of the Laserdetachment method for spatially resolved measurements of negative Hydrogen/Deuterium ion density. It was applied on a high power low pressure RF-driven ion source. The Laser detachment method is based on the measurement of electron currents on a positively biased Langmuir probe before and during/after a laser pulse. The density ratio of negative ions to electrons can be derived from the ratio of currents to the probe. The absolute density of negative ions can be obtained when the electron density is measured with the standard Langmuir probe setup. Measurements with the Langmuir probe additionally yield information about the floating and plasma potential, the electron temperature and the density of positive ions. The Laser detachment setup had to be adapted to the special conditions of the RF-driven source. In particular the existence of RF fields (1 MHz), high source potential (-20 kV), magnetic fields (∝ 7 mT) and caesium inside the source had to be considered. The density of negative ions could be identified in the range of n(H - )=1.10 17 1/m 3 , which is in the same order of magnitude as the electron density. Only the application of the Laser detachment method with the Langmuir probe measurements will yield spatially resolved plasma parameters and H- density profiles. The influence of diverse external parameters, such as pressure, RF-power, magnetic fields on the plasma parameters and their profiles were studied and explained. Hence, the measurements lead to a detailed understanding of the processes inside the source. (orig.)

Zinc electrodeposition from flowing alkaline zincate solutions: Role of hydrogen evolution reaction

Science.gov (United States)

Dundálek, Jan; Šnajdr, Ivo; Libánský, Ondřej; Vrána, Jiří; Pocedič, Jaromír; Mazúr, Petr; Kosek, Juraj

2017-12-01

The hydrogen evolution reaction is known as a parasitic reaction during the zinc electrodeposition from alkaline zincate solutions and is thus responsible for current efficiency losses during the electrolysis. Besides that, the rising hydrogen bubbles may cause an extra convection within a diffusion layer, which leads to an enhanced mass transport of zincate ions to an electrode surface. In this work, the mentioned phenomena were studied experimentally in a flow through electrolyzer and the obtained data were subsequently evaluated by mathematical models. The results prove the indisputable influence of the rising hydrogen bubbles on the additional mixing of the diffusion layer, which partially compensates the drop of the current efficiency of the zinc deposition at higher current flows. Moreover, the results show that the current density ratio (i.e., the ratio of an overall current density to a zinc limiting current density) is not suitable for the description of the zinc deposition, because the hydrogen evolution current density is always involved in the overall current density.

Partially collisional model of the Titan hydrogen torus

International Nuclear Information System (INIS)

Hilton, D.A.

1987-01-01

A numerical model was developed for atomic hydrogen densities in the Titan hydrogen torus. The effects of occasional collisions were included in order to accurately simulate physical conditions inferred from the Voyager 1 and 2 Ultraviolet Spectrometer (UVS) results of Broadfoot et al. (1981) and Sandel et al. (1982). The model employed Lagrangian perturbation of orbital elements of hydrogen atoms launched from Titan and Monte Carlo simulation of collisions and loss mechanisms. The torus is found to be azimuthally symmetric with the density sharply peaked at Titan's orbit, and decreasing rapidly in the outward and perpendicular directions and more gradually inward from 17 to 5 R/sub s/. The energetic hydrogen atoms from Saturn's upper atmosphere, first predicted by Shemansky and Smith (1982), were also investigated. Collisions of these Saturnian atoms with the torus population do not contribute to the torus density, and will lead to a net loss of torus atoms if their launch speeds from Saturn extend above 40 km/sec. The Saturnian atoms produce a corona which was modeled using the theory of Chamberlain (1963)

A problem in gravimetric method for the determination of rare earth elements as oxide after the fluoride separation

International Nuclear Information System (INIS)

Takada, Kunio

1979-01-01

For the gravimetric determination of lanthanum, it was precipitated as fluoride and converted to oxide by igniting (ca. 930 0 C) in a town gas flame. However, the oxidation of lanthanum fluoride by ignition was incomplete, the major part of the precipitate being converted to oxyfluoride (LaOF) and a mixture of oxide and oxyfluoride resulted. Therefore, analytical results were generally (5 -- 7)% higher than theoretically expected. The lanthanum fluoride became converted into the oxide by repeating ignition (ca. 1070 0 C) three times, each for (30 -- 40)min. However, the weight was lower than that of the corresponding sesquioxide, La 2 O 3 . Except for ytterbium and lutetium, gravimetric results as oxides for the other rare earth elements (Y, Pr, Nd, Sm, Eu and Gd) were higher than theoretical values. Therefore, the precipitation of the rare earth elements as fluoride and the subsequent determination as oxide by ignition of the fluoride could not be recommended as the gravimetric method for the rare earths. In order to obtain accurate results for major to minor amounts of the rare earth elements, an EDTA titration at pH 6 should be used after the dissolution of fluoride in acid, if the fluoride precipitation separation is involved. (author)

The use of cerium(IV) phosphate for the gravimetric determination and separation of cerium

International Nuclear Information System (INIS)

Masin, V.; Dolezal, J.

1978-01-01

A method for the gravimetric determination of cerium as Ce 3 (PO 4 ) 4 is described. Cerium can be separated from many metals in this form, as well as from permanganate and dichromate; the cerium separated can then be titrated with iron(II) solution. The method was verified for the determination of cerium in a rare earth concentrate. (Auth.)

Design and realization of the high-precision weighing systems as the gravimetric references in PTB's national water flow standard

International Nuclear Information System (INIS)

Engel, Rainer; Beyer, Karlheinz; Baade, Hans-Joachim

2012-01-01

PTB's ‘Hydrodynamic Test Field’, which represents a high-accuracy water flow calibration facility, serves as the national primary standard for liquid flow measurands. As the core reference device of this flow facility, a gravimetric standard has been incorporated, which comprises three special-design weighing systems: 300 kg, 3 tons and 30 tons. These gravimetric references were realized as a combination of a strain-gauge-based and an electromagnetic-force-compensation load-cell-based balance, each. Special emphasis had to be placed upon the dynamics design of the whole weighing system, due to the high measurement resolution and the dynamic behavior of the weighing systems, which are dynamically affected by mechanical vibrations caused by environmental impacts, flow machinery operation, flow noise in the pipework and induced wave motions in the weigh tanks. Taking into account all the above boundary conditions, the design work for the gravimetric reference resulted in a concrete foundation ‘rock’ of some 300 tons that rests on a number of vibration isolators. In addition to these passively operating vibration isolators, the vibration damping effect is enhanced by applying an electronic level regulation device. (paper)

Stable atomic hydrogen: Polarized atomic beam source

International Nuclear Information System (INIS)

Niinikoski, T.O.; Penttilae, S.; Rieubland, J.M.; Rijllart, A.

1984-01-01

We have carried out experiments with stable atomic hydrogen with a view to possible applications in polarized targets or polarized atomic beam sources. Recent results from the stabilization apparatus are described. The first stable atomic hydrogen beam source based on the microwave extraction method (which is being tested ) is presented. The effect of the stabilized hydrogen gas density on the properties of the source is discussed. (orig.)

Time-Resolved Gravimetric Method To Assess Degassing of Roasted Coffee.

Science.gov (United States)

Smrke, Samo; Wellinger, Marco; Suzuki, Tomonori; Balsiger, Franz; Opitz, Sebastian E W; Yeretzian, Chahan

2018-05-30

During the roasting of coffee, thermally driven chemical reactions lead to the formation of gases, of which a large fraction is carbon dioxide (CO 2 ). Part of these gases is released during roasting while part is retained inside the porous structure of the roasted beans and is steadily released during storage or more abruptly during grinding and extraction. The release of CO 2 during the various phases from roasting to consumption is linked to many important properties and characteristics of coffee. It is an indicator for freshness, plays an important role in shelf life and in packaging, impacts the extraction process, is involved in crema formation, and may affect the sensory profile in the cup. Indeed, and in view of the multiple roles it plays, CO 2 is a much underappreciated and little examined molecule in coffee. Here, we introduce an accurate, quantitative, and time-resolved method to measure the release kinetics of gases from whole beans and ground coffee using a gravimetric approach. Samples were placed in a container with a fitted capillary to allow gases to escape. The time-resolved release of gases was measured via the weight loss of the container filled with coffee. Long-term stability was achieved using a customized design of a semimicro balance, including periodic and automatic zero value measurements and calibration procedures. The novel gravimetric methodology was applied to a range of coffee samples: (i) whole Arabica beans and (ii) ground Arabica and Robusta, roasted to different roast degrees and at different speeds (roast air temperatures). Modeling the degassing rates allowed structural and mechanistic interpretation of the degassing process.

Hydrogen storage using microporous carbon materials

International Nuclear Information System (INIS)

Buczek, B.; Wolak, E.

2005-01-01

In the present century hydrogen will lie the most important source of energy and will replace petroleum and petroleum-derived products in the next future. Hydrogen is an almost ideal fuel, both because of its unlimited accessibility and for ecological reasons; the product of its combustion - water vapour - is neither any gaseous contamination nor a component of greenhouse gases. Nowadays hydrogen is applied in industrial processes, but may be also used as a source of house lighting and heating energy, for production of electricity, and as fuel for car engines. Fuel cells, applying reaction between hydrogen and oxygen for production of electricity have been for a long time used in the space technology. Application of hydrogen as fuel should give a possibility of storage and transfer of the high quality energy, i.e. the energy of a high exo-energetic ratio[l]. Due to its low density, one of the main obstacles to the widespread use of hydrogen in energy sector is an efficient storage technology. At present, the methods of hydrogen storage are to liquefy and store in refrigerated containers, which is very expensive, or to store it in high - pressure gas cylinders at room temperature. Unfortunately, low storage density of hydrogen for the latter technique is a significant drawback. Between alternatives have been considered (chemical storage in irreversible hydrogen carriers like methanol or ammonia, reversible metal and chemical hydrides and adsorption in porous media), the latter one seems to be the most promising [2]. Physical adsorption is a method by which more gas can be stored at a lower pressure by means of Van der Waals interactions at the gas solid interface. Adsorptive storage is particularly promising for permanent gases, which need to be stored, transported, or used in ambient temperature. Thanks to the high density of adsorbed phase, adsorptive storage system could allow the storage of a high density of hydrogen at much lower pressures than compression and

Hydrogen bubble formation and evolution in tungsten under different hydrogen irradiation conditions

Energy Technology Data Exchange (ETDEWEB)

Hu, Wenhui; Luo, Fengfeng; Shen, Zhenyu [Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education, Hubei Nuclear Solid Physics Key Laboratory and School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Guo, Liping, E-mail: guolp@whu.edu.cn [Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education, Hubei Nuclear Solid Physics Key Laboratory and School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Zheng, Zhongcheng; Wen, Yongming [Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education, Hubei Nuclear Solid Physics Key Laboratory and School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Ren, Yaoyao [Center for Electron Microscopy, Wuhan University, Wuhan 430072 (China)

2015-01-15

Highlights: • Direct and clear observation of hydrogen bubbles evolution by TEM is provided. • The role of temperature playing in bubble formation and evolution is fully explored. • Vacancy trapping mechanism is verified in this experiment. - Abstract: In order to see how hydrogen is behaving in tungsten and to understand the way bubbles form and grow up, specimens were irradiated by hydrogen ions from room temperature to 800 °C to fluence of 2.25 × 10{sup 21} m{sup −2}. Experimental results show that higher temperature helped bubble acquire higher internal pressure, causing interstitial loop punching to happen. In this process bubbles’ size grew and dislocation loops were formed but dislocation loops migrated away at and above 350 °C. And bubble number density reached peak value at 600 °C but then dropped dramatically at 800 °C. Because continuously increasing temperature would cause small bubbles dissolution or leaking out. Besides, high temperature also prevented tiny bubbles growing to be visible under TEM observation by their reaching equilibrium pressure before reaching threshold pressure for loop punching. In the other set of experiments, specimens were irradiated by low hydrogen fluence of 1 × 10{sup 20} m{sup −2} at 600 °C, in which case few hydrogen bubbles appeared. With further increasing irradiation fluence, bubble number density quickly increased. Small bubbles tended to coalesce to become larger visible bubbles. And they continued to grow through loop punching until their internal pressure cannot support their size expansion any more.

Density limits in Tokamaks

International Nuclear Information System (INIS)

Tendler, M.

1984-06-01

The energy loss from a tokamak plasma due to neutral hydrogen radiation and recycling is of great importance for the energy balance at the periphery. It is shown that the requirement for thermal equilibrium implies a constraint on the maximum attainable edge density. The relation to other density limits is discussed. The average plasma density is shown to be a strong function of the refuelling deposition profile. (author)

Hydrogen storage enhanced in Li-doped carbon replica of zeolites: a possible route to achieve fuel cell demand.

Science.gov (United States)

Roussel, Thomas; Bichara, Christophe; Gubbins, Keith E; Pellenq, Roland J-M

2009-05-07

We first report the atomistic grand canonical Monte Carlo simulations of the synthesis of two realistic ordered microporous carbon replica in two siliceous forms of faujasite zeolite (cubic Y-FAU and hexagonal EMT). Atomistic simulations of hydrogen adsorption isotherms in these two carbon structures and their Li-doped composites were carried out to determine their storage capacities at 77 and 298 K. We found that these new forms of carbon solids and their Li-doped versions show very attractive hydrogen storage capacities at 77 and 298 K, respectively. However, for a filling pressure of 300 bars and at room temperature, bare carbons do not show advantageous performances compared to a classical gas cylinder despite of their crystalline micropore network. In comparison, Li-doped nanostructures provide reversible gravimetric and volumetric hydrogen storage capacities twice larger (3.75 wt % and 33.7 kg/m(3)). The extreme lattice stiffness of their skeleton will prevent them from collapsing under large external applied pressure, an interesting skill compared to bundle of carbon nanotubes, and metal organic frameworks (MOFs). These new ordered composites are thus very promising materials for hydrogen storage issues by contrast with MOFs.

Electronic and Optical Properties of Small Hydrogenated Silicon Quantum Dots Using Time-Dependent Density Functional Theory

Directory of Open Access Journals (Sweden)

Muhammad Mus-’ab Anas

2015-01-01

Full Text Available This paper presents a systematic study of the absorption spectrum of various sizes of small hydrogenated silicon quantum dots of quasi-spherical symmetry using the time-dependent density functional theory (TDDFT. In this study, real-time and real-space implementation of TDDFT involving full propagation of the time-dependent Kohn-Sham equations were used. The experimental results for SiH4 and Si5H12 showed good agreement with other earlier calculations and experimental data. Then these calculations were extended to study larger hydrogenated silicon quantum dots with diameter up to 1.6 nm. It was found that, for small quantum dots, the absorption spectrum is atomic-like while, for relatively larger (1.6 nm structure, it shows bulk-like behavior with continuous plateau with noticeable peak. This paper also studied the absorption coefficient of silicon quantum dots as a function of their size. Precisely, the dependence of dot size on the absorption threshold is elucidated. It was found that the silicon quantum dots exhibit direct transition of electron from HOMO to LUMO states; hence this theoretical contribution can be very valuable in discerning the microscopic processes for the future realization of optoelectronic devices.

Determination of uranium by a gravimetric-volumetric titration method

International Nuclear Information System (INIS)

Krtil, J.

1998-01-01

A volumetric-gravimetric modification of a method for the determination of uranium based on the reduction of uranium to U (IV) in a phosphoric acid medium and titration with a standard potassium dichromate solution is described. More than 99% of the stoichiometric amount of the titrating solution is weighed and the remainder is added volumetrically by using the Mettler DL 40 RC Memotitrator. Computer interconnected with analytical balances collects continually the data on the analyzed samples and evaluates the results of determination. The method allows to determine uranium in samples of uranium metal, alloys, oxides, and ammonium diuranate by using aliquot portions containing 30 - 100 mg of uranium with the error of determination, expressed as the relative standard deviation, of 0.02 - 0.05%. (author)

Nuclear fuel technology - Determination of uranium in uranyl nitrate solutions of nuclear grade quality - Gravimetric method

International Nuclear Information System (INIS)

2003-01-01

This International Standard specifies a precise and accurate gravimetric method for determining the mass fraction of uranium in uranyl nitrate solutions of nuclear grade quality containing more than 100 g/kg of uranium. Non-volatile impurities influence the accuracy of the method

Catalyzed Nano-Framework Stablized High Density Reversible Hydrogen Storage Systems

Energy Technology Data Exchange (ETDEWEB)

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

2010-06-30

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

Self-shielding of hydrogen in the IGM during the epoch of reionization

Science.gov (United States)

Chardin, Jonathan; Kulkarni, Girish; Haehnelt, Martin G.

2018-04-01

We investigate self-shielding of intergalactic hydrogen against ionizing radiation in radiative transfer simulations of cosmic reionization carefully calibrated with Lyα forest data. While self-shielded regions manifest as Lyman-limit systems in the post-reionization Universe, here we focus on their evolution during reionization (redshifts z = 6-10). At these redshifts, the spatial distribution of hydrogen-ionizing radiation is highly inhomogeneous, and some regions of the Universe are still neutral. After masking the neutral regions and ionizing sources in the simulation, we find that the hydrogen photoionization rate depends on the local hydrogen density in a manner very similar to that in the post-reionization Universe. The characteristic physical hydrogen density above which self-shielding becomes important at these redshifts is about nH ˜ 3 × 10-3 cm-3, or ˜20 times the mean hydrogen density, reflecting the fact that during reionization photoionization rates are typically low enough that the filaments in the cosmic web are often self-shielded. The value of the typical self-shielding density decreases by a factor of 3 between redshifts z = 3 and 10, and follows the evolution of the average photoionization rate in ionized regions in a simple fashion. We provide a simple parameterization of the photoionization rate as a function of density in self-shielded regions during the epoch of reionization.

Comparison of gravimetric and spectrophotometric methods for the determination of O/U ratios in uranium oxides

International Nuclear Information System (INIS)

Esteban, Adolfo; Eppis, Maria Rosa

2004-01-01

One important parameter to specify in nuclear fuels is the oxygen-metal ratio; many tests were described in literature to determine it. Possibly, gravimetric methods are the most used and usually a good precision was obtained analysing sintered materials. However, the humidity sorbed in the samples and impurities affect these methods, especially in powders. On the other hand, the spectrophotometric methods determine oxygen-uranium ratio by measuring the absorbances of different ionic species in phosphoric acid. This technique is simply and is not affected by humidity and impurities. Owing to discrepancy in the results between both methods, it was carried out in our laboratory, a study on various gravimetric and spectrophotometric methods. Several assays and analysis were performed comparing test procedures, trying to obtain better precision and accuracy. This work presents the results obtained and the recommend procedure to use with sintered and unsintered materials

Gravimetric Analysis of Bismuth in Bismuth Subsalicylate Tablets: A Versatile Quantitative Experiment for Undergraduate Laboratories

Science.gov (United States)

Davis, Eric; Cheung, Ken; Pauls, Steve; Dick, Jonathan; Roth, Elijah; Zalewski, Nicole; Veldhuizen, Christopher; Coeler, Joel

2015-01-01

In this laboratory experiment, lower- and upper-division students dissolved bismuth subsalicylate tablets in acid and precipitated the resultant Bi[superscript 3+] in solution with sodium phosphate for a gravimetric determination of bismuth subsalicylate in the tablets. With a labeled concentration of 262 mg/tablet, the combined data from three…

Thermochemical heat storage for high temperature applications. A review

Energy Technology Data Exchange (ETDEWEB)

Felderhoff, Michael [Max-Planck-Institut fuer Kohlenforschung, Muelheim an der Ruhr (Germany); Urbanczyk, Robert; Peil, Stefan [Institut fuer Energie- und Umwelttechnik e.V. (IUTA), Duisburg (Germany)

2013-07-01

Heat storage for high temperature applications can be performed by several heat storage techniques. Very promising heat storage methods are based on thermochemical gas solid reactions. Most known systems are metal oxide/steam (metal hydroxides), carbon dioxide (metal carbonates), and metal/hydrogen (metal hydrides) systems. These heat storage materials posses high gravimetric and volumetric heat storage densities and because of separation of the reaction products and their storage in different locations heat losses can be avoided. The reported volumetric heat storage densities are 615, 1340 and 1513 [ kWh m{sup -3}] for calcium hydroxide Ca(OH){sub 2}, calcium carbonate CaCO{sub 3} and magnesium iron hydride Mg{sub 2}FeH{sub 6} respectively. Additional demands for gas storage decrease the heat storage density, but metal hydride systems can use available hydrogen storage possibilities for example caverns, pipelines and chemical plants. (orig.)

Method of measuring density of gas in a vessel

International Nuclear Information System (INIS)

Shono, Kosuke.

1981-01-01

Purpose: To accurately measure the density of a gas in a vessel even at a loss-of-coolant accident in a BWR type reactor. Method: When at least one of the pressure or the temperature of gas in a vessel exceeds the usable range of a gas density measuring instrument due to a loss-of-coolant accident, the gas in the vessel is sampled, and the pressure or the temperature of the sampled gas are measured by matching them to the usable conditions of the gas density measuring instrument. Hydrogen gas and oxygen gas densities exceeding the usable range of the gas density measuring instrument are calculated by the following formulae based on the measured values. C'sub(O) = P sub(T).C sub(O)/P sub(T), C'sub(H) = C''sub(H).C'sub(O)/C''sub(O), where C sub(O), P sub(T), C'sub(H) represent the oxygen density, the total pressure and the hydrogen density of the internal pressure gas of the vessel after the respective gas density measuring instruments exceed the usable ranges; C sub(O), P sub(T) represent the oxygen density and the total pressure of the gas in the vessel before the gas density measuring instruments exceeded the usable range, and C''sub(H), C''sub(O) represent the hydrogen density and oxygen density of the respective sampled gases. (Kamimura, M.)

Microwave interaction with nonuniform hydrogen gas in carbon nanotubes

International Nuclear Information System (INIS)

Babaei, S.; Babaei, Sh.

2009-01-01

In this paper we study the reflection, absorption, and transmission of microwave from nonuniform hydrogen gas in carbon nanotubes, grown by iron-catalyzed high-pressure carbon monoxide disproportionate (HiPco) process. A discussion on the effect of various hydrogen gas parameters on the reflected power, absorbed power, and transmitted power is presented. The nonuniform hydrogen gas slab is modeled by a series of subslabs. The overall number density profile across the whole slab follows a parabolic function. The total reflected, absorbed, and transmitted powers are then deduced and their functional dependence on the number density, collision frequency, and angle of propagation is studied

Supersonic jets of hydrogen and helium for laser wakefield acceleration

CERN Document Server

Svensson, K.; Wojda, F.; Senje, L.; Burza, M.; Aurand, B.; Genoud, G.; Persson, A.; Wahlström, C.-G.; Lundh, O.

2016-01-01

The properties of laser wakefield accelerated electrons in supersonic gas flows of hydrogen and helium are investigated. At identical backing pressure, we find that electron beams emerging from helium show large variations in their spectral and spatial distributions, whereas electron beams accelerated in hydrogen plasmas show a higher degree of reproducibility. In an experimental investigation of the relation between neutral gas density and backing pressure, it is found that the resulting number density for helium is ∼30% higher than for hydrogen at the same backing pressure. The observed differences in electron beam properties between the two gases can thus be explained by differences in plasma electron density. This interpretation is verified by repeating the laser wakefield acceleration experiment using similar plasma electron densities for the two gases, which then yielded electron beams with similar properties.

Supersonic jets of hydrogen and helium for laser wakefield acceleration

Directory of Open Access Journals (Sweden)

K. Svensson

2016-05-01

Full Text Available The properties of laser wakefield accelerated electrons in supersonic gas flows of hydrogen and helium are investigated. At identical backing pressure, we find that electron beams emerging from helium show large variations in their spectral and spatial distributions, whereas electron beams accelerated in hydrogen plasmas show a higher degree of reproducibility. In an experimental investigation of the relation between neutral gas density and backing pressure, it is found that the resulting number density for helium is ∼30% higher than for hydrogen at the same backing pressure. The observed differences in electron beam properties between the two gases can thus be explained by differences in plasma electron density. This interpretation is verified by repeating the laser wakefield acceleration experiment using similar plasma electron densities for the two gases, which then yielded electron beams with similar properties.

Detection of hydrogen peroxide with graphyne

Science.gov (United States)

Majidi, R.; Karami, A. R.

2013-12-01

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

Hydrogen storage by organic chemical hydrides and hydrogen supply to fuel cells with superheated liquid-film-type catalysis

International Nuclear Information System (INIS)

Hodoshima, S.; Shono, A.; Sato, K.; Saito, Y.

2004-01-01

Organic chemical hydrides, consisting of decalin / naphthalene and tetralin / naphthalene pairs, have been proposed as the storage medium of hydrogen for operating fuel cells in mobile and static modes. The target values in the DOE Hydrogen Plan, U.S., on storage ( 6.5 wt%, 62.0 kg-H 2 / m 3 ) are met with decalin ( 7.3 wt%, 64.8 kg-H 2 / m 3 ). In addition, existing gas stations and tank lorries are available for storage and supply of hydrogen by utilizing the decalin / naphthalene pair, suggesting that decalin is suitable for operating fuel-cell vehicles. Tetralin dehydrogenation proceeds quite rapidly, assuring a predominant power density, though its storage densities ( 3.0 wt%, 28.2 kg-H 2 / m 3 ) are relatively low. Efficient hydrogen supply from decalin or tetralin by heating at 210-280 o C was attained only with the carbon-supported nano-size metal catalysts in the 'superheated liquid-film states' under reactive distillation conditions, where coke formation over the catalyst surface was prevented. The catalyst layer superheated in the liquid-film states gave high reaction rates and conversions, minimizing the evaporation loss under boiling conditions and exergy loss in hydrogen energy systems. (author)

Study on the complex Li-N-H hydrogen storage system

International Nuclear Information System (INIS)

Du, Linnan

2014-01-01

Nowadays the developments of clean energy technologies become more and more necessary and important. Hydrogen-powered vehicles are a promising alternative to the current fossil fuel based vehicle infrastructure. However, so far there is still no hydrogen storage material which can fit the standards for an on-board hydrogen storage system. On this background, this work deals with the development of a hydrogen storage material. The focus is put on the Lithium amide + Lithium hydride (LiNH 2 +LiH) hydrogen storage system because of its high theoretical capacity and relatively low desorption temperature. Moreover, Lithium amide + Magnesium hydride (LiNH 2 +MgH 2 ) as an alternative system was also briefly studied. The aims of this work are to achieve a deeper understanding of the reaction mechanism with the help of microstructural and thermodynamic studies, building a model to describe the sorption process and then to improve the system properties. As the desorption from LiNH 2 particles is the first step of the desorption process of the LiNH 2 +LiH system, the properties and sorption behavior of LiNH 2 sample materials were studied separately first. So the work in this thesis can be mainly divided into two parts: LiNH 2 samples and LiNH 2 +LiH samples. In order to activate the sample materials, both dry ball milling and wet ball milling (with tetrahydrofuran) methods were used. Boron nitride was mainly applied as catalyst. Furthermore, titanium tetrachloride was also used as an alternative additive. The sorption behaviors were studied with the help of a volumetric and a gravimetric system. Further investigation methods include X-ray Diffraction (XRD) method, Scanning Electron Microscope (SEM), Brunauer-Emmett-Teller (BET) method, Differential Thermal Analysis (DTA)/ Thermo Gravimetric Analysis (TGA)/ Mass Spectrometry (MS), and others. The results obtained in this work show that no obvious microstructure differences have been found between the wet ball milled and dry

Comparison of Glaciological and Gravimetric Glacier Mass Balance Measurements of Taku and Lemon Creek Glaciers, Southeast Alaska

Science.gov (United States)

Vogler, K.; McNeil, C.; Bond, M.; Getraer, B.; Huxley-Reicher, B.; McNamara, G.; Reinhardt-Ertman, T.; Silverwood, J.; Kienholz, C.; Beedle, M. J.

2017-12-01

Glacier-wide annual mass balances (Ba) have been calculated for Taku (726 km2) and Lemon Creek glaciers (10.2 km2) since 1946 and 1953 respectively. These are the longest mass balance records in North America, and the only Ba time-series available for Southeast Alaska, making them particularly valuable for the global glacier mass balance monitoring network. We compared Ba time-series from Taku and Lemon Creek glaciers to Gravity Recovery and Climate Experiment (GRACE) mascon solutions (1352 and 1353) during the 2004-2015 period to assess how well these gravimetric solutions reflect individual glaciological records. Lemon Creek Glacier is a challenging candidate for this comparison because it is small compared to the 12,100 km2 GRACE mascon solutions. Taku Glacier is equally challenging because its mass balance is stable compared to the negative balances dominating its neighboring glaciers. Challenges notwithstanding, a high correlation between the glaciological and gravimetrically-derived Ba for Taku and Lemon Creek glaciers encourage future use of GRACE to measure glacier mass balance. Additionally, we employed high frequency ground penetrating radar (GPR) to measure the variability of accumulation around glaciological sites to assess uncertainty in our glaciological measurements, and the resulting impact to Ba. Finally, we synthesize this comparison of glaciological and gravimetric mass balance solutions with a discussion of potential sources of error in both methods and their combined utility for measuring regional glacier change during the 21st century.

Hydrogen Production from Nuclear Energy

Science.gov (United States)

Walters, Leon; Wade, Dave

2003-07-01

During the past decade the interest in hydrogen as transportation fuel has greatly escalated. This heighten interest is partly related to concerns surrounding local and regional air pollution from the combustion of fossil fuels along with carbon dioxide emissions adding to the enhanced greenhouse effect. More recently there has been a great sensitivity to the vulnerability of our oil supply. Thus, energy security and environmental concerns have driven the interest in hydrogen as the clean and secure alternative to fossil fuels. Remarkable advances in fuel-cell technology have made hydrogen fueled transportation a near-term possibility. However, copious quantities of hydrogen must be generated in a manner independent of fossil fuels if environmental benefits and energy security are to be achieved. The renewable technologies, wind, solar, and geothermal, although important contributors, simply do not comprise the energy density required to deliver enough hydrogen to displace much of the fossil transportation fuels. Nuclear energy is the only primary energy source that can generate enough hydrogen in an energy secure and environmentally benign fashion. Methods of production of hydrogen from nuclear energy, the relative cost of hydrogen, and possible transition schemes to a nuclear-hydrogen economy will be presented.

Controlling Hydrogenation of Graphene on Ir(111)

DEFF Research Database (Denmark)

Balog, Richard; Andersen, Mie; Jørgensen, Bjarke

2013-01-01

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

Membrane-less hydrogen bromine flow battery

Science.gov (United States)

Braff, William A.; Bazant, Martin Z.; Buie, Cullen R.

2013-08-01

In order for the widely discussed benefits of flow batteries for electrochemical energy storage to be applied at large scale, the cost of the electrochemical stack must come down substantially. One promising avenue for reducing stack cost is to increase the system power density while maintaining efficiency, enabling smaller stacks. Here we report on a membrane-less hydrogen bromine laminar flow battery as a potential high-power density solution. The membrane-less design enables power densities of 0.795 W cm-2 at room temperature and atmospheric pressure, with a round-trip voltage efficiency of 92% at 25% of peak power. Theoretical solutions are also presented to guide the design of future laminar flow batteries. The high-power density achieved by the hydrogen bromine laminar flow battery, along with the potential for rechargeable operation, will translate into smaller, inexpensive systems that could revolutionize the fields of large-scale energy storage and portable power systems.

Gravimetric and conductometric studies of the sedimentation kinetics in aqueous dispersions of kaoline

International Nuclear Information System (INIS)

Bulavyin, L.A.; Khrapatij, S.V.; Koval'chuk, V.Yi.; Klepko, V.V.; Lebovka, M.Yi.

2006-01-01

Using gravimetric and conductometric methods, the sedimentation kinetics in aqueous suspensions of Alekseev kaoline has been studied for pH value range from 4 to 10. It has been found that pH increasing leads to the decreasing of mean radii of flocks linearly. We found that sedimentation kinetics for intermediate pH values can be described by scaling equations that crossover time defined transition from a gravitational mechanism of deposition to the diffusion one

Catalysis mechanism of Pd-promoted γ-alumina in the thermal decomposition of methane to hydrogen: A density functional theory study

Energy Technology Data Exchange (ETDEWEB)

Salam, M. Abdus; Abdullah, Bawadi, E-mail: bawadi_abdullah@utp.edu.my

2017-02-15

Thermo-catalytic methane decomposition to elemental hydrogen mechanism in transitional metals (Pd, Ni & Mo) promoted Al{sub 2}O{sub 3} (001) catalyst have been studied using the density functional theory (DFT). Decomposition reactions are spontaneous and favourable above 775 K for all promoter. Pd-promoted Al{sub 2}O{sub 3} (001) catalyst demonstrates a breakthrough decomposition activity in hydrogen production as compared to Ni− and Mo-promoted Al{sub 2}O{sub 3} (001) catalysts. The activation energy (E{sub a}) range of the catalysis for Pd promoted Al{sub 2}O{sub 3} (001) catalysts is 0.003–0.34 eV. Whereas, Ni and Mo promoted Al{sub 2}O{sub 3} (001) catalysts display activation energy E{sub a} in the range of 0.63–1.15 eV and 0.04–5.98 eV, respectively. Pd-promoted catalyst also shows a higher adsorption energy (−0.68 eV) and reactivity than that of Ni and Mo promoted Al{sub 2}O{sub 3} (001) catalysts. The rates of successive decomposition of methane are found to be 16.15 × 10{sup 12}, 15.95 × 10{sup 12} and 16.09 × 10{sup 12} s{sup −1} for the promoter of Pd, Ni and Mo, respectively. Pd promoted Al{sub 2}O{sub 3} (001) catalyst reduces the methane decomposition temperature (775 K) and deactivation rate significantly. The catalytic conditions and catalyst is promising in producing hydrogen to support hydrogen economy. - Highlights: • Transition metals (Pd, Ni & Mo) promoted γ-alumina catalysts are designed successfully. • Pd-promoted catalyst showed breakthrough activity in methane decomposition to hydrogen. • DFT study explored the catalysis mechanism of methane decomposition at atomic level. • Pd-promoted catalyst reduced temperature and activation barrier of methane decomposition reaction significantly.

Catalysis mechanism of Pd-promoted γ-alumina in the thermal decomposition of methane to hydrogen: A density functional theory study

International Nuclear Information System (INIS)

Salam, M. Abdus; Abdullah, Bawadi

2017-01-01

Thermo-catalytic methane decomposition to elemental hydrogen mechanism in transitional metals (Pd, Ni & Mo) promoted Al_2O_3 (001) catalyst have been studied using the density functional theory (DFT). Decomposition reactions are spontaneous and favourable above 775 K for all promoter. Pd-promoted Al_2O_3 (001) catalyst demonstrates a breakthrough decomposition activity in hydrogen production as compared to Ni− and Mo-promoted Al_2O_3 (001) catalysts. The activation energy (E_a) range of the catalysis for Pd promoted Al_2O_3 (001) catalysts is 0.003–0.34 eV. Whereas, Ni and Mo promoted Al_2O_3 (001) catalysts display activation energy E_a in the range of 0.63–1.15 eV and 0.04–5.98 eV, respectively. Pd-promoted catalyst also shows a higher adsorption energy (−0.68 eV) and reactivity than that of Ni and Mo promoted Al_2O_3 (001) catalysts. The rates of successive decomposition of methane are found to be 16.15 × 10"1"2, 15.95 × 10"1"2 and 16.09 × 10"1"2 s"−"1 for the promoter of Pd, Ni and Mo, respectively. Pd promoted Al_2O_3 (001) catalyst reduces the methane decomposition temperature (775 K) and deactivation rate significantly. The catalytic conditions and catalyst is promising in producing hydrogen to support hydrogen economy. - Highlights: • Transition metals (Pd, Ni & Mo) promoted γ-alumina catalysts are designed successfully. • Pd-promoted catalyst showed breakthrough activity in methane decomposition to hydrogen. • DFT study explored the catalysis mechanism of methane decomposition at atomic level. • Pd-promoted catalyst reduced temperature and activation barrier of methane decomposition reaction significantly.

Gravimetric water distribution assessment from geoelectrical methods (ERT and EMI) in municipal solid waste landfill.

Science.gov (United States)

Dumont, Gaël; Pilawski, Tamara; Dzaomuho-Lenieregue, Phidias; Hiligsmann, Serge; Delvigne, Frank; Thonart, Philippe; Robert, Tanguy; Nguyen, Frédéric; Hermans, Thomas

2016-09-01

The gravimetric water content of the waste material is a key parameter in waste biodegradation. Previous studies suggest a correlation between changes in water content and modification of electrical resistivity. This study, based on field work in Mont-Saint-Guibert landfill (Belgium), aimed, on one hand, at characterizing the relationship between gravimetric water content and electrical resistivity and on the other hand, at assessing geoelectrical methods as tools to characterize the gravimetric water distribution in a landfill. Using excavated waste samples obtained after drilling, we investigated the influences of the temperature, the liquid phase conductivity, the compaction and the water content on the electrical resistivity. Our results demonstrate that Archie's law and Campbell's law accurately describe these relationships in municipal solid waste (MSW). Next, we conducted a geophysical survey in situ using two techniques: borehole electromagnetics (EM) and electrical resistivity tomography (ERT). First, in order to validate the use of EM, EM values obtained in situ were compared to electrical resistivity of excavated waste samples from corresponding depths. The petrophysical laws were used to account for the change of environmental parameters (temperature and compaction). A rather good correlation was obtained between direct measurement on waste samples and borehole electromagnetic data. Second, ERT and EM were used to acquire a spatial distribution of the electrical resistivity. Then, using the petrophysical laws, this information was used to estimate the water content distribution. In summary, our results demonstrate that geoelectrical methods represent a pertinent approach to characterize spatial distribution of water content in municipal landfills when properly interpreted using ground truth data. These methods might therefore prove to be valuable tools in waste biodegradation optimization projects. Copyright © 2016 Elsevier Ltd. All rights reserved.

Detailed studies of a high-density polarized hydrogen gas target for storage rings

International Nuclear Information System (INIS)

Zapfe, K.; Brueckner, W.; Gaul, H.G.; Grieser, M.; Lin, M.T.; Moroz, Z.; Povh, B.; Rall, M.; Stechert, B.; Steffens, E.; Stenger, J.; Stock, F.; Tonhaeuser, J.; Montag, C.; Rathmann, F.; Fick, D.; Braun, B.; Graw, G.; Haeberli, W.

1996-01-01

A high-density target of polarized atomic hydrogen gas for applications in storage rings was produced by injecting atoms from an atomic beam source into a T-shaped storage cell. The influence of the internal gas target on electron-cooled beams of 27 MeV α-particles and 23 MeV protons in the Heidelberg Test Storage Ring has been studied in detail. Target polarization and target thickness were measured by means of 27 MeV α-particles. For hyperfine states 1+2 a target thickness of n=(0.96±0.04) x 10 14 H/cm 2 was achieved with the cell walls cooled to 100 K. Working with a weak magnetic holding field (∼5 G) the maximum target polarization was P T =0.84±0.02 when state 1 and P T =0.46±0.01 when states 1+2 were injected. The target polarization was found to be constant over a period of 3 months with a net charge of Q∼100 C passing the storage cell. (orig.)

Gravimetric Measurements of Filtering Facepiece Respirators Challenged With Diesel Exhaust.

Science.gov (United States)

Satish, Swathi; Swanson, Jacob J; Xiao, Kai; Viner, Andrew S; Kittelson, David B; Pui, David Y H

2017-07-01

Elevated concentrations of diesel exhaust have been linked to adverse health effects. Filtering facepiece respirators (FFRs) are widely used as a form of respiratory protection against diesel particulate matter (DPM) in occupational settings. Previous results (Penconek A, Drążyk P, Moskal A. (2013) Penetration of diesel exhaust particles through commercially available dust half masks. Ann Occup Hyg; 57: 360-73.) have suggested that common FFRs are less efficient than would be expected for this purpose based on their certification approvals. The objective of this study was to measure the penetration of DPM through NIOSH-certified R95 and P95 electret respirators to verify this result. Gravimetric-based penetration measurements conducted using polytetrafluoroethylene (PTFE) and polypropylene (PP) filters were compared with penetration measurements made with a Scanning Mobility Particle Sizer (SMPS, TSI Inc.), which measures the particle size distribution. Gravimetric measurements using PP filters were variable compared to SMPS measurements and biased high due to adsorption of gas phase organic material. Relatively inert PTFE filters adsorbed less gas phase organic material resulting in measurements that were more accurate. To attempt to correct for artifacts associated with adsorption of gas phase organic material, primary and secondary filters were used in series upstream and downstream of the FFR. Correcting for adsorption by subtracting the secondary mass from the primary mass improved the result for both PTFE and PP filters but this correction is subject to 'equilibrium' conditions that depend on sampling time and the concentration of particles and gas phase hydrocarbons. Overall, the results demonstrate that the use of filters to determine filtration efficiency of FFRs challenged with diesel exhaust produces erroneous results due to the presence of gas phase hydrocarbons in diesel exhaust and the tendency of filters to adsorb organic material. Published by

A systematic neutron reflectometry study on hydrogen absorption in thin Mg{sub 1-x}Al{sub x} alloy films

Energy Technology Data Exchange (ETDEWEB)

Fritzsche, H.; Poirier, E. [National Research Council of Canada, Chalk River, ON (Canada). Canadian Neutron Beam Centre; Haagsma, J.; Ophus, C.; Luber, E.; Harrower, C.T.; Mitlin, D. [Alberta Univ., Edmonton, AB (Canada). Dept. of Chemical and Materials Engineering; National Research Council of Canada, Edmonton, AB (Canada). National Inst. for Nanotechnology

2010-10-15

Various methods for storing hydrogen have been examined in an effort to find ways to store hydrogen in increasingly smaller volumes with decreasing weight of the whole hydrogen storage system. Metal hydrides, in which hydrogen is chemically bound to a metal atom, are considered to be very promising candidates for hydrogen storage because they have high gravimetric and volumetric storage capacities. This study investigated the effect of different magnesium (Mg) and aluminium (Al) ratios on the absorption and desorption properties of thin films. Neutron reflectometry (NR) was used in this study to better understand the absorption and desorption properties of commercially promising hydrogen storage materials. The large negative scattering length of hydrogen atoms changes the reflectivity curve substantially, so that NR can determine the total amount of stored hydrogen as well as the hydrogen distribution along the film normal, with nanometer resolution. In order to use NR, the samples must have smooth surfaces, and the film thickness should range between 10 and 200 nm. Thin Mg{sub 1-x}Al{sub x} alloy films (x = 0.2, 0.3, 0.4, 0.67) capped with a palladium (Pd) catalyst layer were used in this study. The NR experiments revealed that Mg{sub 0.7}Al{sub 0.3} is the optimum composition for this binary alloy system, with the highest amount of stored hydrogen and the lowest desorption temperature. All the thin films expanded by approximately 20 percent due to hydrogen absorption. The hydrogen was stored only in the MgAl layer without any hydrogen in the Pd layer. It was concluded that NR can be used to effectively determine the hydrogen profile in thin MgAl films. 29 refs., 5 figs.

Investigations on vertical crustal movements in the Venezuelan Andes by gravimetric methods

Science.gov (United States)

Drewes, H.

1978-01-01

A precise gravimetric network has been installed in the Venezuelan Andes to study eventual gravity changes due to vertical tectonic movements. The design and the measurements of the network are described and the accuracy is estimated. In the center of the region a local gravity network has been reobserved three times. The detected variations are discussed. In order to obtain a genuine statement as far as possible about the significance of observed gravity changes, requirements for the procedure of monitoring precise gravity networks are pointed out.

Nanoengineered Carbon Scaffolds for Hydrogen Storage

Energy Technology Data Exchange (ETDEWEB)

Leonard, A. D.; Hudson, J. L.; Fan, H.; Booker, R.; Simpson, L. J.; O' Neill, K. J.; Parilla, P. A.; Heben, M. J.; Pasquali, M.; Kittrell, C.; Tour, J. M.

2009-01-01

Single-walled carbon nanotube (SWCNT) fibers were engineered to become a scaffold for the storage of hydrogen. Carbon nanotube fibers were swollen in oleum (fuming sulfuric acid), and organic spacer groups were covalently linked between the nanotubes using diazonium functionalization chemistry to provide 3-dimensional (3-D) frameworks for the adsorption of hydrogen molecules. These 3-D nanoengineered fibers physisorb twice as much hydrogen per unit surface area as do typical macroporous carbon materials. These fiber-based systems can have high density, and combined with the outstanding thermal conductivity of carbon nanotubes, this points a way toward solving the volumetric and heat-transfer constraints that limit some other hydrogen-storage supports.

Application of InSAR and gravimetric surveys for developing construction codes in zones of land subsidence induced by groundwater extraction: case study of Aguascalientes, Mexico

Directory of Open Access Journals (Sweden)

J. Pacheco-Martínez

2015-11-01

Full Text Available Interferometric Synthetic Aperture Radar (InSAR has become a valuable tool for surface deformation monitoring, including land subsidence associated with groundwater extraction. Another useful tools for studying Earth's surface processes are geophysical methods such as Gravimetry. In this work we present the application of InSAR analysis and gravimetric surveying to generate valuable information for risk management related to land subsidence and surface faulting. Subsidence of the city of Aguascalientes, Mexico is presented as study case. Aguascalientes local governments have addressed land subsidence issues by including new requirements for new constructions projects in the State Urban Construction Code. Nevertheless, the resulting zoning proposed in the code is still subjective and not clearly defined. Our work based on gravimetric and InSAR surveys is aimed for improving the subsidence hazard zoning proposed in the State Urban Code in a more comprehensive way. The study includes a 2007–2011 ALOS InSAR time-series analysis of the Aguascalientes valley, an interpretation of the compete Bouguer gravimetric anomaly of the Aguascalientes urban area, and the application of time series and gravimetric anomaly maps for improve the subsidence hazard zoning of Aguascalientes City.

High-pressure torsion for new hydrogen storage materials.

Science.gov (United States)

Edalati, Kaveh; Akiba, Etsuo; Horita, Zenji

2018-01-01

High-pressure torsion (HPT) is widely used as a severe plastic deformation technique to create ultrafine-grained structures with promising mechanical and functional properties. Since 2007, the method has been employed to enhance the hydrogenation kinetics in different Mg-based hydrogen storage materials. Recent studies showed that the method is effective not only for increasing the hydrogenation kinetics but also for improving the hydrogenation activity, for enhancing the air resistivity and more importantly for synthesizing new nanostructured hydrogen storage materials with high densities of lattice defects. This manuscript reviews some major findings on the impact of HPT process on the hydrogen storage performance of different titanium-based and magnesium-based materials.

Three years of high precision gravity measurements at the gravimetric station of Brasimone - Italy

Directory of Open Access Journals (Sweden)

G. Casula

1998-06-01

Full Text Available From August 1995 up to now, at the Enea Research Center of Brasimone, in the Italian Apennines between Bologna and Florence (Italy: 44º07'N, 11º.07'E, 890 m height, the superconducting gravimeter GWR model TT70 number T015 has been continuously recording the variation of the local gravity field, in the frame of the Global Geodynamics Project. The gravimetric laboratory, being a room of the disused nuclear power plant of Brasimone, is a very stable site, free from noise due to human activities. Data blocks of several months of continuous gravity records have been collected over a time span of three years, together with the meteorological data. The gravimeter has been calibrated at relative accuracy better than 0.3% with the aid of a mobile mass system, by imposed perturbations of the local gravity field and recording the gravimeter response. The results of this calibration technique were checked by two comparison experiments with absolute gravimeters performed during this period: the first, in May 1994 with the aid of the symmetrical rise and fall gravimeter of the Institute of Metrology Colonnetti of Turin, and the second in October 1997 involving an FG5 absolute gravimeter of the Institute de Physique du Globe of Strasbourg. The gravimeter signal was analysed to compute a high precision tidal model for Brasimone site. Starting from a set of gravimetric and atmospheric pressure data of high quality, relative to 46 months of observation, we performed the tidal analysis using Eterna 3.2 software to compute amplitudes, gravimetric factors and phases of the main waves of the Tamura catalogue. Finally a comparison experiment between two of the STS-1/VBB broadband seismometers of the MedNet project network and the gravity records relative to the Balleny Islands earthquake (March 25, 1998 were analysed to look for evidence of normal modes due to the free oscillations of the Earth.

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

Energy Technology Data Exchange (ETDEWEB)

Faye, Omar, E-mail: omf071@mail.usask.ca [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9 Saskatchewan (Canada); Department of Condensed Matter Physics, Cheikh Anta Diop University, Dakar (Senegal); Szpunar, Jerzy A; Szpunar, Barbara [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9 Saskatchewan (Canada); Beye, Aboubaker Chedikh [Department of Condensed Matter Physics, Cheikh Anta Diop University, Dakar (Senegal)

2017-01-15

Highlights: • H{sub 2} adsorption in single and double-sided Pd-G(3x3) and the effect of NH radical on graphene were studied. • Strong interaction of Pd and graphene in double-sided Pd-G(3x3) than that in the single-sided Pd-G(3x3). • The storage capacity was 3.622 wt% with a binding energy of 0.658 eV/H2. • The increase of NH radicals on Pd-G(3x3) enhanced the binding of Pd atoms on the graphene sheet. • We predicted that 2NH-dopant at the opposite site of Pd atoms prevents the desorption of Pd atom from graphene sheet. - Abstract: We conducted a detailed theoretical investigation of the structural and electronic properties of single and double sided Pd-functionalized graphene and NH-doped Pd-functionalized graphene, which are shown to be efficient materials for hydrogen storage. Nitrene radical dopant was an effective addition required for enhancing the Pd binding on the graphene sheet as well as the storage of hydrogen. We found that up to eight H{sub 2} molecules could be adsorbed by double-sided Pd-functionalized graphene at 0 K with an average binding energy in the range 1.315–0.567 eVA gravimetric hydrogen density of 3.622 wt% was reached in the Pd-functionalized graphene on both sides. The binding mechanism of H{sub 2} molecules came not only the polarization mechanism between Pd and H atoms but also from the binding of the Pd atoms on the graphene sheet and the orbital hybridization. The most crucial part of our work is measuring the effect of nitrene radical on the H{sub 2} adsorption on Pd-functionalized graphene. Our calculations predicted that the addition of NH radicals on Pd-functionalized graphene enhance the binding of H{sub 2} molecules, which helps also to avoid the desorption of Pd(H{sub 2}){sub n} (n = 1–5) complexes from graphene sheet. Our results also predict Pd-functionalized NH-doped graphene is a potential hydrogen storage medium for on-board applications.

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

International Nuclear Information System (INIS)

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

2017-01-01

Highlights: • H_2 adsorption in single and double-sided Pd-G(3x3) and the effect of NH radical on graphene were studied. • Strong interaction of Pd and graphene in double-sided Pd-G(3x3) than that in the single-sided Pd-G(3x3). • The storage capacity was 3.622 wt% with a binding energy of 0.658 eV/H2. • The increase of NH radicals on Pd-G(3x3) enhanced the binding of Pd atoms on the graphene sheet. • We predicted that 2NH-dopant at the opposite site of Pd atoms prevents the desorption of Pd atom from graphene sheet. - Abstract: We conducted a detailed theoretical investigation of the structural and electronic properties of single and double sided Pd-functionalized graphene and NH-doped Pd-functionalized graphene, which are shown to be efficient materials for hydrogen storage. Nitrene radical dopant was an effective addition required for enhancing the Pd binding on the graphene sheet as well as the storage of hydrogen. We found that up to eight H_2 molecules could be adsorbed by double-sided Pd-functionalized graphene at 0 K with an average binding energy in the range 1.315–0.567 eVA gravimetric hydrogen density of 3.622 wt% was reached in the Pd-functionalized graphene on both sides. The binding mechanism of H_2 molecules came not only the polarization mechanism between Pd and H atoms but also from the binding of the Pd atoms on the graphene sheet and the orbital hybridization. The most crucial part of our work is measuring the effect of nitrene radical on the H_2 adsorption on Pd-functionalized graphene. Our calculations predicted that the addition of NH radicals on Pd-functionalized graphene enhance the binding of H_2 molecules, which helps also to avoid the desorption of Pd(H_2)_n (n = 1–5) complexes from graphene sheet. Our results also predict Pd-functionalized NH-doped graphene is a potential hydrogen storage medium for on-board applications.

Hydrogen bonding characterization in water and small molecules

Science.gov (United States)

Silvestrelli, Pier Luigi

2017-06-01

The prototypical hydrogen bond in water dimer and hydrogen bonds in the protonated water dimer, in other small molecules, in water cyclic clusters, and in ice, covering a wide range of bond strengths, are theoretically investigated by first-principles calculations based on density functional theory, considering not only a standard generalized gradient approximation functional but also, for the water dimer, hybrid and van der Waals corrected functionals. We compute structural, energetic, and electrostatic (induced molecular dipole moments) properties. In particular, hydrogen bonds are characterized in terms of differential electron density distributions and profiles, and of the shifts of the centres of maximally localized Wannier functions. The information from the latter quantities can be conveyed to a single geometric bonding parameter that appears to be correlated with the Mayer bond order parameter and can be taken as an estimate of the covalent contribution to the hydrogen bond. By considering the water trimer, the cyclic water hexamer, and the hexagonal phase of ice, we also elucidate the importance of cooperative/anticooperative effects in hydrogen-bonding formation.

Mapping the force field of a hydrogen-bonded assembly

Science.gov (United States)

Sweetman, A. M.; Jarvis, S. P.; Sang, Hongqian; Lekkas, I.; Rahe, P.; Wang, Yu; Wang, Jianbo; Champness, N. R.; Kantorovich, L.; Moriarty, P.

2014-05-01

Hydrogen bonding underpins the properties of a vast array of systems spanning a wide variety of scientific fields. From the elegance of base pair interactions in DNA to the symmetry of extended supramolecular assemblies, hydrogen bonds play an essential role in directing intermolecular forces. Yet fundamental aspects of the hydrogen bond continue to be vigorously debated. Here we use dynamic force microscopy (DFM) to quantitatively map the tip-sample force field for naphthalene tetracarboxylic diimide molecules hydrogen-bonded in two-dimensional assemblies. A comparison of experimental images and force spectra with their simulated counterparts shows that intermolecular contrast arises from repulsive tip-sample interactions whose interpretation can be aided via an examination of charge density depletion across the molecular system. Interpreting DFM images of hydrogen-bonded systems therefore necessitates detailed consideration of the coupled tip-molecule system: analyses based on intermolecular charge density in the absence of the tip fail to capture the essential physical chemistry underpinning the imaging mechanism.

Positron Spectroscopy of Nanodiamonds after Hydrogen Sorption

Directory of Open Access Journals (Sweden)

Lyudmila Nikitina

2018-01-01

Full Text Available The structure and defects of nanodiamonds influence the hydrogen sorption capacity. Positronium can be used as a sensor for detecting places with the most efficient capture of hydrogen atoms. Hydrogenation of carbon materials was performed from gas atmosphere. The concentration of hydrogen absorbed by the sample depends on the temperature and pressure. The concentration 1.2 wt % is achieved at the temperature of 243 K and the pressure of 0.6 MPa. The hydrogen saturation of nanodiamonds changes the positron lifetime. Increase of sorption cycle numbers effects the positron lifetime, as well as the parameters of the Doppler broadening of annihilation line. The electron-positron annihilation being a sensitive method, it allows detecting the electron density fluctuation of the carbon material after hydrogen saturation.

Hydrogen Bonding Interaction between Atmospheric Gaseous Amides and Methanol

Directory of Open Access Journals (Sweden)

Hailiang Zhao

2016-12-01

Full Text Available Amides are important atmospheric organic–nitrogen compounds. Hydrogen bonded complexes of methanol (MeOH with amides (formamide, N-methylformamide, N,N-dimethylformamide, acetamide, N-methylacetamide and N,N-dimethylacetamide have been investigated. The carbonyl oxygen of the amides behaves as a hydrogen bond acceptor and the NH group of the amides acts as a hydrogen bond donor. The dominant hydrogen bonding interaction occurs between the carbonyl oxygen and the OH group of methanol as well as the interaction between the NH group of amides and the oxygen of methanol. However, the hydrogen bonds between the CH group and the carbonyl oxygen or the oxygen of methanol are also important for the overall stability of the complexes. Comparable red shifts of the C=O, NH- and OH-stretching transitions were found in these MeOH–amide complexes with considerable intensity enhancement. Topological analysis shows that the electron density at the bond critical points of the complexes fall in the range of hydrogen bonding criteria, and the Laplacian of charge density of the O–H∙∙∙O hydrogen bond slightly exceeds the upper value of the Laplacian criteria. The energy decomposition analysis further suggests that the hydrogen bonding interaction energies can be mainly attributed to the electrostatic, exchange and dispersion components.

Hydrogen Bonding Interaction between Atmospheric Gaseous Amides and Methanol.

Science.gov (United States)

Zhao, Hailiang; Tang, Shanshan; Xu, Xiang; Du, Lin

2016-12-30

Amides are important atmospheric organic-nitrogen compounds. Hydrogen bonded complexes of methanol (MeOH) with amides (formamide, N -methylformamide, N , N -dimethylformamide, acetamide, N -methylacetamide and N , N -dimethylacetamide) have been investigated. The carbonyl oxygen of the amides behaves as a hydrogen bond acceptor and the NH group of the amides acts as a hydrogen bond donor. The dominant hydrogen bonding interaction occurs between the carbonyl oxygen and the OH group of methanol as well as the interaction between the NH group of amides and the oxygen of methanol. However, the hydrogen bonds between the CH group and the carbonyl oxygen or the oxygen of methanol are also important for the overall stability of the complexes. Comparable red shifts of the C=O, NH- and OH-stretching transitions were found in these MeOH-amide complexes with considerable intensity enhancement. Topological analysis shows that the electron density at the bond critical points of the complexes fall in the range of hydrogen bonding criteria, and the Laplacian of charge density of the O-H∙∙∙O hydrogen bond slightly exceeds the upper value of the Laplacian criteria. The energy decomposition analysis further suggests that the hydrogen bonding interaction energies can be mainly attributed to the electrostatic, exchange and dispersion components.

Hirshfeld atom refinement for modelling strong hydrogen bonds.

Science.gov (United States)

Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A; Edwards, Alison J; Dominiak, Paulina M; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon

2014-09-01

High-resolution low-temperature synchrotron X-ray diffraction data of the salt L-phenylalaninium hydrogen maleate are used to test the new automated iterative Hirshfeld atom refinement (HAR) procedure for the modelling of strong hydrogen bonds. The HAR models used present the first examples of Z' > 1 treatments in the framework of wavefunction-based refinement methods. L-Phenylalaninium hydrogen maleate exhibits several hydrogen bonds in its crystal structure, of which the shortest and the most challenging to model is the O-H...O intramolecular hydrogen bond present in the hydrogen maleate anion (O...O distance is about 2.41 Å). In particular, the reconstruction of the electron density in the hydrogen maleate moiety and the determination of hydrogen-atom properties [positions, bond distances and anisotropic displacement parameters (ADPs)] are the focus of the study. For comparison to the HAR results, different spherical (independent atom model, IAM) and aspherical (free multipole model, MM; transferable aspherical atom model, TAAM) X-ray refinement techniques as well as results from a low-temperature neutron-diffraction experiment are employed. Hydrogen-atom ADPs are furthermore compared to those derived from a TLS/rigid-body (SHADE) treatment of the X-ray structures. The reference neutron-diffraction experiment reveals a truly symmetric hydrogen bond in the hydrogen maleate anion. Only with HAR is it possible to freely refine hydrogen-atom positions and ADPs from the X-ray data, which leads to the best electron-density model and the closest agreement with the structural parameters derived from the neutron-diffraction experiment, e.g. the symmetric hydrogen position can be reproduced. The multipole-based refinement techniques (MM and TAAM) yield slightly asymmetric positions, whereas the IAM yields a significantly asymmetric position.

Gravimetric preparation and characterization of primary reference solutions of molybdenum and rhodium.

Science.gov (United States)

Kaltenbach, Angela; Noordmann, Janine; Görlitz, Volker; Pape, Carola; Richter, Silke; Kipphardt, Heinrich; Kopp, Gernot; Jährling, Reinhard; Rienitz, Olaf; Güttler, Bernd

2015-04-01

Gravimetrically prepared mono-elemental reference solutions having a well-known mass fraction of approximately 1 g/kg (or a mass concentration of 1 g/L) define the very basis of virtually all measurements in inorganic analysis. Serving as the starting materials of all standard/calibration solutions, they link virtually all measurements of inorganic analytes (regardless of the method applied) to the purity of the solid materials (high-purity metals or salts) they were prepared from. In case these solid materials are characterized comprehensively with respect to their purity, this link also establishes direct metrological traceability to The International System of Units (SI). This, in turn, ensures the comparability of all results on the highest level achievable. Several national metrology institutes (NMIs) and designated institutes (DIs) have been working for nearly two decades in close cooperation with commercial producers on making an increasing number of traceable reference solutions available. Besides the comprehensive characterization of the solid starting materials, dissolving them both loss-free and completely under strict gravimetric control is a challenging problem in the case of several elements like molybdenum and rhodium. Within the framework of the European Metrology Research Programme (EMRP), in the Joint Research Project (JRP) called SIB09 Primary standards for challenging elements, reference solutions of molybdenum and rhodium were prepared directly from the respective metals with a relative expanded uncertainty associated with the mass fraction of U rel(w) methods required to assist with the preparation and as dissemination tools.

Self-Regular Black Holes Quantized by means of an Analogue to Hydrogen Atoms

CERN Document Server

Liu, Chang; Wu, Yu-Mei; Zhang, Yu-Hao

2016-01-01

We suggest a proposal of quantization for black holes that is based on an analogy between a black hole and a hydrogen atom. A self-regular Schwarzschild-AdS black hole is investigated, where the mass density of the extreme black hole is given by the probability density of the ground state of hydrogen atoms and the mass densities of non-extreme black holes are chosen to be the probability densities of excited states with no angular momenta. Consequently, it is logical to accept quantization of mean radii of hydrogen atoms as that of black hole horizons. In this way, quantization of total black hole masses is deduced. Furthermore, the quantum hoop conjecture and the Correspondence Principle are discussed.

Determination of sulfate in thorium salts using gravimetric technique with previous thorium separation

International Nuclear Information System (INIS)

Silva, C.M. da; Pires, M.A.F.

1994-01-01

Available as short communication only. A simple analytical method to analyze sulfates in thorium salt, is presented. The method is based on the thorium separation as hydroxide. The gravimetric technique is used to analyze the sulfate in the filtered as barium sulfate. Using this method, the sulfate separation from thorium has been reach 99,9% yield, and 0,1% precision. This method is applied to thorium salts specifically thorium sulfate, carbonate and nitrate. (author). 5 refs, 2 tabs

Comparison of gravimetric and gas chromatographic methods for assessing performance of textile materials against liquid pesticide penetration.

Science.gov (United States)

Shaw, Anugrah; Abbi, Ruchika

2004-01-01

Penetration of liquid pesticides through textile materials is a criterion for determining the performance of protective clothing used by pesticide handlers. The pipette method is frequently used to apply liquid pesticides onto textile materials to measure penetration. Typically, analytical techniques such as Gas Chromatography (GC) are used to measure percentage penetration. These techniques are labor intensive and costly. A simpler gravimetric method was developed, and tests were conducted to compare the gravimetric and GC methods of analysis. Three types of pesticide formulations and 4 fabrics were used for the study. Diluted pesticide formulations were pipetted onto the test specimens and percentage penetration was measured using the 2 methods. For homogeneous formulation, the results of the two methods were fairly comparable. However, due to the filtering action of the textile materials, there were differences in the percentage penetration between the 2 methods for formulations that were not homogeneous.

Water fog inerting of hydrogen-air mixtures

International Nuclear Information System (INIS)

Zalosh, R.G.; Bajpai, S.N.

1982-01-01

Laboratory tests have been conducted to determine the effects of water fog density, droplet diameter and temperature on the lower flammable limit (LFL) of hydrogen-air-steam mixtures. Five different fog nozzles were used to generate dense fogs with volume mean drop diameters ranging from 20 micro-meters to 115 micro-meters. At 20 0 C, these nozzles marginally raised the hydrogen LFL from 4.0 vol.% hydrogen to typically 4.8%, with one exceptional nozzle producing an LFL of 7.2%. At 50 0 C, the LFL in the presence of dense fog ranged from 5.0 to 7.9%, while at 70 0 C, the range was 5.9 to 8.5%. Fog densities required to achieve a given level of partial inerting increased with approximately the second power of average drop diameter, as predicted by a theoretical flame quenching analysis

A study of semiconducting properties of hydrogen containing passive films

International Nuclear Information System (INIS)

Zeng, Y.M.; Luo, J.L.; Norton, P.R.

2004-01-01

Mott-Schottky and photoelectrochemical measurements were used to explore the effects of hydrogen and chloride ions on the electronic properties of the passive film on X70 micro-alloyed steel in a solution of 0.5 M NaHCO 3 . Mott-Schottky analyses have shown that hydrogen increases the capacitance and donor density, and decreases the flat band potential and the space charge layer thickness of the passive film. The photocurrent of the film is remarkably increased by hydrogen. The effects of hydrogen become more pronounced with an increase in the hydrogen charging current densities. Hydrogen has no noticeable effect on the band gap energy E g and the process by which hole-electron pairs are photo-generated in the film. The presence of chloride ions in the solution produces some similar effects on the electronic properties of the passive film to those observed with hydrogen, but reduces the photocurrent and increases the band gap energy of the film. No significant synergistic effects on the electronic properties of the passive film were observed in the presence of hydrogen and Cl - . These results provide very useful information for elucidating the mechanism by which hydrogen changes the properties of passive film and then promotes localized corrosion

Simplified method for gravimetric determination of zirconium or hafnium with α-hydroxy carboxylic acids

International Nuclear Information System (INIS)

Barbieri, R.S.; Rocha, J.C.; Terra, V.R.; Marques Netto, A.

1989-01-01

The conditions for gravimetric determination of zirconium or hafnium by glicoloc acids derivatives were studied by thermogravimetric analysis. The method utilized shownd that after precipitation, washing and drying of precipitates at 150 o C, the resulting solid was weighed in the form of [M (RCH(OH)COO) 4 ] (M = Zr, Hf; R + C 6 H 5 , β-C 10 H 7 , p-BrC 6 H 4 ). (author)

Microstructure and hydrogen bonding in water-acetonitrile mixtures.

Science.gov (United States)

Mountain, Raymond D

2010-12-16

The connection of hydrogen bonding between water and acetonitrile in determining the microheterogeneity of the liquid mixture is examined using NPT molecular dynamics simulations. Mixtures for six, rigid, three-site models for acetonitrile and one water model (SPC/E) were simulated to determine the amount of water-acetonitrile hydrogen bonding. Only one of the six acetonitrile models (TraPPE-UA) was able to reproduce both the liquid density and the experimental estimates of hydrogen bonding derived from Raman scattering of the CN stretch band or from NMR quadrupole relaxation measurements. A simple modification of the acetonitrile model parameters for the models that provided poor estimates produced hydrogen-bonding results consistent with experiments for two of the models. Of these, only one of the modified models also accurately determined the density of the mixtures. The self-diffusion coefficient of liquid acetonitrile provided a final winnowing of the modified model and the successful, unmodified model. The unmodified model is provisionally recommended for simulations of water-acetonitrile mixtures.

Density determination in Pino Radiata (D.Don) samples using 59.5 keV gamma radiation attenuation

International Nuclear Information System (INIS)

Dinator, Maria I.; Morales, Jose R.; Aliaga, Nelson; Karsulovic, Jose T.; Sanchez, Jaime; Leon, Adolfo

1996-01-01

A non destructive method to determine wood samples density is presented. The photon mass attenuation coefficient in samples of Pino radiata (D.Don) was measured at 59.5 keV with a radioactive source of Am-241. The value of 0.192 ± 0.002 cm 2 /g was obtained with a gamma spectroscopy system and later used on the determination of the mass density in sixteen samples of the same species. Comparison of these results with those of gravimetric method through a linear regression showed a slope of 1.001 and a correlation factor of 0.94. (author)

Determination of molybdenum by the gravimetric plumbate method (with the molybdenum content from 50 % and above)

International Nuclear Information System (INIS)

Stepin, V.V.; Kurbatova, V.I.; Fedorova, N.D.

1980-01-01

A gravimetric method of molybdenum determination in ferromolybdenum (Mo content from 50% and higher) after its dissolving in HNO 3 is developed. The method is based on Mo deposition in acetic acid solution in the form of molybdenum oxide lead after separation of Fe and other interfering elements with sodium hydroxide [ru

Trends in the exchange current for hydrogen evolution

DEFF Research Database (Denmark)

Nørskov, Jens Kehlet; Bligaard, Thomas; Logadottir, Ashildur

2005-01-01

A density functional theory database of hydrogen chemisorption energies on close packed surfaces of a number of transition and noble metals is presented. The bond energies are used to understand the trends in the exchange current for hydrogen evolution. A volcano curve is obtained when measured...... exchange currents are plotted as a function of the calculated hydrogen adsorption energies and a simple kinetic model is developed to understand the origin of the volcano. The volcano curve is also consistent with Pt being the most efficient electrocatalyst for hydrogen evolution. (c) 2005...

Interactions of atomic hydrogen with amorphous SiO2

Science.gov (United States)

Yue, Yunliang; Wang, Jianwei; Zhang, Yuqi; Song, Yu; Zuo, Xu

2018-03-01

Dozens of models are investigated by the first-principles calculations to simulate the interactions of an atomic hydrogen with a defect-free random network of amorphous SiO2 (a-SiO2) and oxygen vacancies. A wide variety of stable configurations are discovered due to the disorder of a-SiO2, and their structures, charges, magnetic moments, spin densities, and density of states are calculated. The atomic hydrogen interacts with the defect-free a-SiO2 in positively or negatively charged state, and produces the structures absent in crystalline SiO2. It passivates the neutral oxygen vacancies and generates two neutral hydrogenated E‧ centers with different Si dangling bond projections. Electron spin resonance parameters, including Fermi contacts, and g-tensors, are calculated for these centers. The atomic hydrogen interacts with the positive oxygen vacancies in dimer configuration, and generate four different positive hydrogenated defects, two of which are puckered like the Eγ‧ centers. This research helps to understand the interactions between an atomic hydrogen, and defect-free a-SiO2 and oxygen vacancies, which may generate the hydrogen-complexed defects that play a key role in the degeneration of silicon/silica-based microelectronic devices.

Nano Structured Activated Carbon for Hydrogen Storge. Project Final Technical Report (May 2, 2005-Dec. 31, 2012)

Energy Technology Data Exchange (ETDEWEB)

Cabasso, Israel; Yuan, Youxin

2013-02-27

Development of a nanostructured synthetic carbons materials that have been synthesized by thermal-decomposition of aromatic rich polyether such as poly(ether ether ketone) (PEEK) is reported. These polymers based nanostructured carbons efficacious for gas adsorption and storage and have Brunauer-Emmett-Teller (BET) surface area of more than 3000 m2/g, and with average pore diameter of < 2nm. Surface-area, pore characteristics, and other critical variables for selecting porous materials of high gas adsorption capacities are presented. Analysis of the fragments evolved under various carbonization temperatures, and the correlation between the activation and carbonization temperatures provides a mechanistic perspective of the pore evolution during activation. Correlations between gas (N2 and H2) adsorption capacity and porous texture of the materials have been established. The materials possess excellent hydrogen storage properties, with hydrogen storage capacity up to 7.4 wt% (gravimetric) and ~ 45 g H2 L-1 (volumetric) at -196oC and 6.0 MPa.

Feasibility of Using an Electrolysis Cell for Quantification of the Electrolytic Products of Water from Gravimetric Measurement.

Science.gov (United States)

Melaku, Samuel; Gebeyehu, Zewdu; Dabke, Rajeev B

2018-01-01

A gravimetric method for the quantitative assessment of the products of electrolysis of water is presented. In this approach, the electrolysis cell was directly powered by 9 V batteries. Prior to electrolysis, a known amount of potassium hydrogen phthalate (KHP) was added to the cathode compartment, and an excess amount of KHCO 3 was added to the anode compartment electrolyte. During electrolysis, cathode and anode compartments produced OH - (aq) and H + (aq) ions, respectively. Electrolytically produced OH - (aq) neutralized the KHP, and the completion of this neutralization was detected by a visual indicator color change. Electrolytically produced H + (aq) reacted with HCO 3 - (aq) liberating CO 2 (g) from the anode compartment. Concurrent liberation of H 2 (g) and O 2 (g) at the cathode and anode, respectively, resulted in a decrease in the mass of the cell. Mass of the electrolysis cell was monitored. Liberation of CO 2 (g) resulted in a pronounced effect of a decrease in mass. Experimentally determined decrease in mass (53.7 g/Faraday) agreed with that predicted from Faraday's laws of electrolysis (53.0 g/Faraday). The efficacy of the cell was tested to quantify the acid content in household vinegar samples. Accurate results were obtained for vinegar analysis with a precision better than 5% in most cases. The cell offers the advantages of coulometric method and additionally simplifies the circuitry by eliminating the use of a constant current power source or a coulometer.

Effect of hydrogenation on the band gap of graphene nano-flakes

International Nuclear Information System (INIS)

Tachikawa, Hiroto; Iyama, Tetsuji; Kawabata, Hiroshi

2014-01-01

The effects of hydrogenation on the band gap of graphene have been investigated by means of density functional theory method. It is generally considered that the band gap increases with increasing coverage of hydrogen atom on the graphene. However, the present study shows that the band gap decreases first with increasing hydrogen coverage and reaches the lowest value at finite coverage (γ = 0.3). Next, the band gap increases to that of insulator with coverage from 0.3 to 1.0. This specific feature of the band gap is reasonably explained by broken symmetry model and the decrease of pi-conjugation. The electronic states of hydrogenated graphene are discussed. - Highlights: • Density functional theory calculations were carried out for hydrogen on graphene • Effects of hydrogenation on the band gap of graphene were examined. • The band gap showed a minimum at a finite coverage. • Mechanism of specific band gap feature was discussed

Comparison of the gravimetric, phenol red, and 14C-PEG-3350 methods to determine water absorption in the rat single-pass intestinal perfusion model

OpenAIRE

Sutton, Steven C.; Rinaldi, M. T. S.; Vukovinsky, K. E.

2001-01-01

This study was undertaken to determine whether the gravimetric method provided an accurate measure of water flux correction and to compare the gravimetric method with methods that employ nonabsorbed markers (eg, phenol red and 14C-PEG-3350). Phenol red, 14C-PEG-3350, and 4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]-methyl ester, (R)-benzene acetic acid (Compound I) were co-perfused in situ through the jejunum of 9 anesthetized rats (single-pass intestinal perfusion [SPIP]). Wat...

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

Science.gov (United States)

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

2015-03-26

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

Dual mechanical behaviour of hydrogen in stressed silicon nitride thin films

International Nuclear Information System (INIS)

Volpi, F.; Braccini, M.; Pasturel, A.; Devos, A.; Raymond, G.; Morin, P.

2014-01-01

In the present article, we report a study on the mechanical behaviour displayed by hydrogen atoms and pores in silicon nitride (SiN) films. A simple three-phase model is proposed to relate the physical properties (stiffness, film stress, mass density, etc.) of hydrogenated nanoporous SiN thin films to the volume fractions of hydrogen and pores. This model is then applied to experimental data extracted from films deposited by plasma enhanced chemical vapour deposition, where hydrogen content, stress, and mass densities range widely from 11% to 30%, −2.8 to 1.5 GPa, and 2.0 to 2.8 g/cm 3 , respectively. Starting from the conventional plotting of film's Young's modulus against film porosity, we first propose to correct the conventional calculation of porosity volume fraction with the hydrogen content, thus taking into account both hydrogen mass and concentration. The weight of this hydrogen-correction is found to evolve linearly with hydrogen concentration in tensile films (in accordance with a simple “mass correction” of the film density calculation), but a clear discontinuity is observed toward compressive stresses. Then, the effective volume occupied by hydrogen atoms is calculated taking account of the bond type (N-H or Si-H bonds), thus allowing a precise extraction of the hydrogen volume fraction. These calculations applied to tensile films show that both volume fractions of hydrogen and porosity are similar in magnitude and randomly distributed against Young's modulus. However, the expected linear dependence of the Young's modulus is clearly observed when both volume fractions are added. Finally, we show that the stiffer behaviour of compressive films cannot be only explained on the basis of this (hydrogen + porosity) volume fraction. Indeed this stiffness difference relies on a dual mechanical behaviour displayed by hydrogen atoms against the film stress state: while they participate to the stiffness in compressive films, hydrogen atoms mainly

Enhanced hydrogen storage by using lithium decoration on phosphorene

Energy Technology Data Exchange (ETDEWEB)

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

2016-07-14

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

Hydrogen production profiles using furans in microbial electrolysis cells.

Science.gov (United States)

Catal, Tunc; Gover, Tansu; Yaman, Bugra; Droguetti, Jessica; Yilancioglu, Kaan

2017-06-01

Microbial electrochemical cells including microbial fuel cells (MFCs) and microbial electrolysis cells (MECs) are novel biotechnological tools that can convert organic substances in wastewater or biomass into electricity or hydrogen. Electroactive microbial biofilms used in this technology have ability to transfer electrons from organic compounds to anodes. Evaluation of biofilm formation on anode is crucial for enhancing our understanding of hydrogen generation in terms of substrate utilization by microorganisms. In this study, furfural and hydroxymethylfurfural (HMF) were analyzed for hydrogen generation using single chamber membrane-free MECs (17 mL), and anode biofilms were also examined. MECs were inoculated with mixed bacterial culture enriched using chloroethane sulphonate. Hydrogen was succesfully produced in the presence of HMF, but not furfural. MECs generated similar current densities (5.9 and 6 mA/cm 2 furfural and HMF, respectively). Biofilm samples obtained on the 24th and 40th day of cultivation using aromatic compounds were evaluated by using epi-fluorescent microscope. Our results show a correlation between biofilm density and hydrogen generation in single chamber MECs.

Study on the complex Li-N-H hydrogen storage system

Energy Technology Data Exchange (ETDEWEB)

Du, Linnan

2014-07-01

Nowadays the developments of clean energy technologies become more and more necessary and important. Hydrogen-powered vehicles are a promising alternative to the current fossil fuel based vehicle infrastructure. However, so far there is still no hydrogen storage material which can fit the standards for an on-board hydrogen storage system. On this background, this work deals with the development of a hydrogen storage material. The focus is put on the Lithium amide + Lithium hydride (LiNH{sub 2}+LiH) hydrogen storage system because of its high theoretical capacity and relatively low desorption temperature. Moreover, Lithium amide + Magnesium hydride (LiNH{sub 2}+MgH{sub 2}) as an alternative system was also briefly studied. The aims of this work are to achieve a deeper understanding of the reaction mechanism with the help of microstructural and thermodynamic studies, building a model to describe the sorption process and then to improve the system properties. As the desorption from LiNH{sub 2} particles is the first step of the desorption process of the LiNH{sub 2}+LiH system, the properties and sorption behavior of LiNH{sub 2} sample materials were studied separately first. So the work in this thesis can be mainly divided into two parts: LiNH{sub 2} samples and LiNH{sub 2}+LiH samples. In order to activate the sample materials, both dry ball milling and wet ball milling (with tetrahydrofuran) methods were used. Boron nitride was mainly applied as catalyst. Furthermore, titanium tetrachloride was also used as an alternative additive. The sorption behaviors were studied with the help of a volumetric and a gravimetric system. Further investigation methods include X-ray Diffraction (XRD) method, Scanning Electron Microscope (SEM), Brunauer-Emmett-Teller (BET) method, Differential Thermal Analysis (DTA)/ Thermo Gravimetric Analysis (TGA)/ Mass Spectrometry (MS), and others. The results obtained in this work show that no obvious microstructure differences have been found

The pipeline fracture behavior and pressure assessment under HIC (Hydrogen induced cracking) environment

Energy Technology Data Exchange (ETDEWEB)

Shaohua, Dong [China National Petroleum Corporation (CNPC), Beijing (China); Lianwei, Wang [University of Science and Technology Beijing (USTB), Beijing (China)

2009-07-01

As Hydrogen's transmit and diffuse, after gestating for a while, the density of hydrogen around crack tip of pipeline will get to the critical density, and the pipeline material will descend, make critical stress factor, the reason of pipeline Hydrogen Induced Cracking is Hydrogen's transmit and diffuse. The stress factor of Hydrogen Induced Cracking under surroundings-condition of stress is the key that estimate material's rupture behavior. The paper study the relationship among hydrogen concentrate, crack tip stress, stain field, hydrogen diffusion and inner pressure for crack tip process zone, then determined the length of HIC (hydrogen induced cracking) process zone. Based on the theory of propagation which reason micro-crack making core, dislocation model is produced for fracture criteria of HIC, the influence between material and environments under the HIC is analyzed, step by step pipeline maximum load pressure and threshold of J-integrity ( J{sub ISCC} ) is calculated, which is very significant for pipeline safety operation. (author)

The methods of hydrogen storage

International Nuclear Information System (INIS)

Joubert, J.M.; Cuevas, F.; Latroche, M.; Percheron-Guegan, A.

2005-01-01

Hydrogen may be an excellent energy vector owing to its high specific energy. Its low density is however a serious drawback for its storage. Three techniques exist to store hydrogen. Storage under pressure is now performed in composite tanks under pressures around 700 bar. Liquid storage is achieved at cryogenic temperatures. Solid storage is possible in reversible metal hydrides or on high surface area materials. The three storage means are compared in terms of performance, energetic losses and risk. (authors)

Volumetric, acoustic and viscometric behaviour of dipotassium hydrogen phosphate and disodium hydrogen phosphate in aqueous solution of N-acetyl glycine at different temperatures

International Nuclear Information System (INIS)

Kumar, Harsh; Singla, Meenu; Mittal, Heena

2016-01-01

Highlights: • Densities, speeds of sound, viscosities of phosphate salts in aqueous N-acetyl glycine. • Large values of partial molar volume for dipotassium hydrogen phosphate. • Partial molar volume of transfer are positive for phosphate salts. • Positive B-coefficient values indicate ion–solvent interactions. - Abstract: Densities, speeds of sound and viscosities of dipotassium hydrogen phosphate (DPHP) and disodium hydrogen phosphate (DSHP) in aqueous solutions of N-acetyl glycine (AcGly) are reported at different temperatures. Densities and speeds of sound have been used to calculate apparent molar volume, apparent molar isentropic compression, partial molar volume, partial molar isentropic compression, partial molar volume of transfer, partial molar isentropic compression of transfer and partial molar expansivity. Pair and triplet interaction coefficients have also been calculated. Experimental viscosities have been used to determine B-coefficients. Further pair and triplet interaction coefficients have also been calculated. The results are discussed in terms of solute–solvent interactions.

A method to determine density in wood samples using attenuation of 59.5 KeV gamma radiation

International Nuclear Information System (INIS)

Dinator, M.I.; Morales, J.R.; Aliaga, N.; Karsulovic, J.T.; Sanchez, J.; Leon, L.A.

1996-01-01

A nondestructive method to determine the density of wood samples is presented. The photon mass attenuation coefficient in samples of Pino Radiata was measured at 59.5 KeV with a radioactive source of Am-241. The value of 0.192 ± 0.002 cm 2 /g was obtained with a gamma spectroscopy system and later used on the determination of the mass density in sixteen samples of the same species. Comparison of these results with those of gravimetric method through a linear regression showed a slope of 1.001 and correlation factor of 0.94. (author)

A gravimetric and an X-ray fluorescence method for the determination of rubidium in Rb2U(SO4)3

International Nuclear Information System (INIS)

Mudher, K.D.S.; Krishnan, K.; Jayadevan, N.C.

1993-01-01

Chemical characterization of rubidium uranium(IV) trisulfate, RB 2 U(SO 4 ) 3 , a new chemical assay standard for uranium requires accurate analysis of rubidium. A gravimetric and an X-ray fluorescence method (XRF) for the determination of rubidium in this compound are described. In the gravimetric method, rubidium is determined as Rb 2 Na[Co(NO 2 ) 6 ].H 2 O without separating uranium with a precision of the order of ±0.5%. In the XRF method, the concentration ratio of rubidium to uranium, C Rb /C U , is determined in the solid samples by the binary ratio method using calibration between intensity ratios (I Rb /I U ) and concentration ratios (C Rb /C U ). (author) 6 refs.; 2 figs.; 3 tabs

In situ NMR studies of hydrogen storage kinetics and molecular diffusion in clathrate hydrate at elevated hydrogen pressures

Energy Technology Data Exchange (ETDEWEB)

Okuchi, T. [Okayama Univ., Misasa, Tottori (Japan); Moudrakovski, I.L.; Ripmeester, J.A. [National Research Council of Canada, Ottawa, ON (Canada). Steacie Inst. for Molecular Sciences

2008-07-01

The challenge of storing high-density hydrogen into compact host media was investigated. The conventional storage scheme where an aqueous solution is frozen with hydrogen gas is too slow for practical use in a hydrogen-based society. Therefore, the authors developed a faster method whereby hydrogen was stored into gas hydrates. The hydrogen gas was directly charged into hydrogen-free, crystalline hydrate powders with partly empty lattices. The storage kinetics and hydrogen diffusion into the hydrate was observed in situ by nuclear magnetic resonance (NMR) in a pressurized tube cell. At pressures up to 20 MPa, the storage was complete within 80 minutes, as observed by growth of stored-hydrogen peak into the hydrate. Hydrogen diffusion within the crystalline hydrate media is the rate-determining step of current storage scheme. Therefore, the authors measured the diffusion coefficient of hydrogen molecules using the pulsed field gradient NMR method. The results show that the stored hydrogen is very mobile at temperatures down to 250 K. As such, the powdered hydrate media should work well even in cold environments. Compared with more prevailing hydrogen storage media such as metal hydrides, clathrate hydrates have the advantage of being free from hydrogen embrittlement, more chemically durable, more environmentally sound, and economically affordable. It was concluded that the powdered clathrate hydrate is suitable as a hydrogen storage media. 22 refs., 4 figs.

Membrane-less hydrogen bromine flow battery

OpenAIRE

Braff, W. A.; Bazant, M. Z.; Buie, C. R.

2014-01-01

In order for the widely discussed benefits of flow batteries for electrochemical energy storage to be applied at large scale, the cost of the electrochemical stack must come down substantially. One promising avenue for reducing stack cost is to increase the system power density while maintaining efficiency, enabling smaller stacks. Here we report on a membrane-less, hydrogen bromine laminar flow battery as a potential high power density solution. The membrane-less design enables power densiti...

Production of dissociated hydrogen gas by electro-magnetically driven shock

International Nuclear Information System (INIS)

Kondo, Kotaro; Moriyama, Takao; Hasegawa, Jun; Horioka, Kazuhiko; Oguri, Yoshiyuki

2013-01-01

Evaluation of ion stopping power which has a dependence on target temperature and density is an essential issue for heavy-ion-driven high energy density experiment. We focus on experimentally unknown dissociated hydrogen atoms as target for stopping power measurement. The precise measurement of shock wave velocity is required because the dissociated gas is produced by electro-magnetically driven shock. For beam-dissociated hydrogen gas interaction experiment, shock velocity measurement using laser refraction is proposed. (author)

Hydrogen bond disruption in DNA base pairs from (14)C transmutation.

Science.gov (United States)

Sassi, Michel; Carter, Damien J; Uberuaga, Blas P; Stanek, Christopher R; Mancera, Ricardo L; Marks, Nigel A

2014-09-04

Recent ab initio molecular dynamics simulations have shown that radioactive carbon does not normally fragment DNA bases when it decays. Motivated by this finding, density functional theory and Bader analysis have been used to quantify the effect of C → N transmutation on hydrogen bonding in DNA base pairs. We find that (14)C decay has the potential to significantly alter hydrogen bonds in a variety of ways including direct proton shuttling (thymine and cytosine), thermally activated proton shuttling (guanine), and hydrogen bond breaking (cytosine). Transmutation substantially modifies both the absolute and relative strengths of the hydrogen bonding pattern, and in two instances (adenine and cytosine), the density at the critical point indicates development of mild covalent character. Since hydrogen bonding is an important component of Watson-Crick pairing, these (14)C-induced modifications, while infrequent, may trigger errors in DNA transcription and replication.

Bioinspired molecular co-catalysts bonded to a silicon photocathode for solar hydrogen evolution

DEFF Research Database (Denmark)

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

2011-01-01

The production of fuels from sunlight represents one of the main challenges in the development of a sustainable energy system. Hydrogen is the simplest fuel to produce and although platinum and other noble metals are efficient catalysts for photoelectrochemical hydrogen evolution, earth...... that harvests red photons in the solar spectrum. The current densities at the reversible potential match the requirement of a photoelectrochemical hydrogen production system with a solar-to-hydrogen efficiency in excess of 10% (ref. 16). The experimental observations are supported by density functional theory......-abundant alternatives are needed for large-scale use. We show that bioinspired molecular clusters based on molybdenum and sulphur evolve hydrogen at rates comparable to that of platinum. The incomplete cubane-like clusters (Mo3S 4) efficiently catalyse the evolution of hydrogen when coupled to a p-type Si semiconductor...

Interaction between a high density-low temperature plasma and a frozen hydrogen pellet in a railgun injector

International Nuclear Information System (INIS)

Grapperhaus, M.J.

1993-01-01

A model has been developed which describes the ablation process of frozen hydrogen pellets in an electromagnetic railgun. The model incorporates the neutral gas shielding model in which the pellet surface is heated by incident electrons from the plasma arc. The heated surface then ablates, forming a neutral cloud which attenuates the incoming electrons. The energy lost in the cloud by the electrons heats the ablatant material as it flows into the plasma arc. Under steady-state conditions, a scaling law for the ablation rate was derived as a function of plasma-arc temperature and density. In addition, flow conditions and the criteria for the existence of a steady-state solution were formulated and subsequently examined under simplifying assumptions. Comparison with experimentally observed ablation rates shows good qualitative agreement

GRAVIMETRIC-DETERMINATION OF THE WATER CONCENTRATION IN WHOLE-BLOOD, PLASMA AND ERYTHROCYTES AND CORRELATIONS WITH HEMATOLOGICAL AND CLINICOCHEMICAL PARAMETERS

NARCIS (Netherlands)

LIJNEMA, TH; HUIZENGA, [No Value; JAGER, J; MACKOR, AJ; GIPS, CH

1993-01-01

We have assessed gravimetric methods for determination of intravascular water, established whole blood-, plasma- and erythrocyte water reference values in a healthy volunteer group (n = 97, 48 females) and correlated these variables with 30 simultaneous hematological, clinicochemical and body

Time-dependent quantum fluid density functional theory of hydrogen ...

Indian Academy of Sciences (India)

WINTEC

density functional theory; quantum fluid dynamics. 1. Introduction ... dynamics of strongly non-linear interaction of atoms with intense ... theory and quantum fluid dynamics in real space. .... clear evidence of bond softening since density in the.

Highly Selective Polypyrrole MIP-Based Gravimetric and Electrochemical Sensors for Picomolar Detection of Glyphosate

Directory of Open Access Journals (Sweden)

Zouhour Mazouz

2017-11-01

Full Text Available There is a global debate and concern about the use of glyphosate (Gly as an herbicide. New toxicological studies will determine its use in the future under new strict conditions or its replacement by alternative synthetic or natural herbicides. In this context, we designed biomimetic polymer sensing layers for the selective molecular recognition of Gly. Towards this end, complementary surface acoustic wave (SAW and electrochemical sensors were functionalized with polypyrrole (PPy-imprinted polymer for the selective detection of Gly. Their corresponding limits of detection were on the order of 1 pM, which are among the lowest values ever reported in literature. The relevant dissociation constants between PPy and Gly were estimated at [Kd1 = (0.7 ± 0.3 pM and Kd2 = (1.6 ± 1.4 µM] and [Kd1 = (2.4 ± 0.9 pM and Kd2 = (0.3 ± 0.1 µM] for electrochemical and gravimetric measurements, respectively. Quantum chemical calculations permitted to estimate the interaction energy between Gly and PPy film: ΔE = −145 kJ/mol. Selectivity and competitivity tests were investigated with the most common pesticides. This work conclusively shows that gravimetric and electrochemical results indicate that both MIP-based sensors are perfectly able to detect and distinguish glyphosate without any ambiguity.

Theoretical analysis and semianalytical solutions for a turbulent buoyant hydrogen-air jet

KAUST Repository

El-Amin, Mohamed; Sun, S.; Salama, Amgad

2012-01-01

Semianalytical solutions are developed for turbulent hydrogen-air plume. We derived analytical expressions for plume centerline variables (radius, velocity, and density deficit) in terms of a single universal function, called plume function. By combining the obtained analytical expressions of centerline variables with empirical Gaussian expressions of the mean variables, we obtain semianalytical expressions for mean quantities of hydrogen-air plume (velocity, density deficit, and mass fraction).

Hydrogenated fullerenes in space: FT-IR spectra analysis

Energy Technology Data Exchange (ETDEWEB)

El-Barbary, A. A. [Physics Department, Faculty of Education, Ain-Shams University, Cairo, Egypt Physics Department, Faculty of Science, Jazan University, Jazan (Saudi Arabia)

2016-06-10

Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C{sub 20} and C{sub 60} fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H{sub 2} molecule at peak around 4440 cm{sup −1}. However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

Metal oxide/hydrogen battery; Kinzoku sankabutsu/suiso denchi

Energy Technology Data Exchange (ETDEWEB)

Kanda, M.; Niki, H. [Toshiba Research and Development Centre, Komukai, Kawasaki (Japan)

1995-07-04

The metal oxide-hydrogen battery consisting mainly of hydrogen storage alloy has high energy density and high volume efficiency. However, it is disadvantageous that the self-discharge takes place since the discharge capacity is lowered due to the delivery of stored hydrogen from the hydrogen electrode. This invention relates to the metal oxide-hydrogen battery consisting of hydrogen storage alloy. Hydrogen storage alloy which is composed of LaNi5 system homogeneous solid solution having an equilibrium plateau pressure of less than 1 atm at 20{degree}C is used. As a result, the battery voltage change and the self-discharge can be reduced, and the cell performance can be improved. Examples of LaNi5 system hydrogen storage alloy are ANi(5-x)Mx (A = La, Mm, and Ca, M = Al, Mn, Si, Ge, Fe, B, Ga, Cu, In, and Co). LaNi(4.7)Al(0.3) and MmNi(4.2)Mn(0.8) are preferable. 3 figs.

Hydrogenated fullerenes in space: FT-IR spectra analysis

International Nuclear Information System (INIS)

El-Barbary, A. A.

2016-01-01

Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C 20 and C 60 fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H 2 molecule at peak around 4440 cm −1 . However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

A collisional radiative model of hydrogen plasmas developed for diagnostic purposes of negative ion sources

Energy Technology Data Exchange (ETDEWEB)

Iordanova, Snejana, E-mail: snejana@phys.uni-sofia.bg; Paunska, Tsvetelina [Faculty of Physics, Sofia University, BG-1164 Sofia (Bulgaria)

2016-02-15

A collisional radiative model of low-pressure hydrogen plasmas is elaborated and applied in optical emission spectroscopy diagnostics of a single element of a matrix source of negative hydrogen ions. The model accounts for the main processes determining both the population densities of the first ten states of the hydrogen atom and the densities of the positive hydrogen ions H{sup +}, H{sub 2}{sup +}, and H{sub 3}{sup +}. In the calculations, the electron density and electron temperature are varied whereas the atomic and molecular temperatures are included as experimentally obtained external parameters. The ratio of the H{sub α} to H{sub β} line intensities is calculated from the numerical results for the excited state population densities, obtained as a solution of the set of the steady-state rate balance equations. The comparison of measured and theoretically obtained ratios of line intensities yields the values of the electron density and temperature as well as of the degree of dissociation, i.e., of the parameters which have a crucial role for the volume production of the negative ions.

Vibrational excitation in a hydrogen volume source

International Nuclear Information System (INIS)

Eenshuistra, P.J.

1989-01-01

In this thesis the complex of processes which determines the D - or H - density in a volume source, a hydrogen discharge, is studied. D - beams are of interest for driving the current of a fusion plasma in a TOKAMAK. Densities of vibrationally excited molecules, of H atoms, and of metastable hydrogen molecules were determined using Resonance-Enhanced MultiPhoton Ionization (REMPI). An experiment in which vibrationally highly excited molecules are formed by recombination of atoms in a cold metal surface, is described. The production and destruction of vibrationally excited molecules and atoms in the discharge is discussed. The vibrational distribution for 3≤ν≤5 (ν = vibrational quantumnumber) is strongly super-thermal. This effect is more apparent at higher discharge current and lower gas pressure. The analysis with a model based on rate equations, which molecules are predominantly produced by primary electron excitation of hydrogen molecules and deexcited upon one wall collision. The atom production is compatible with dissociation of molecules by primary electrons, dissociation of molecules on the filaments, and collisions between positive ions and electrons. The electrons are predominantly destroyed by recombination on the walls. Finally the production and destruction of H - in the discharge are discussed. The density of H - in the plasma, the electron density and temperature were determined. H - extraction was measured. The ratio of the extracted H - current and the H - density in the plasma gives an indication of the drift velocity of H - in the plasma. This velocity determines the emittance of the extracted beam. It was found that the H - velocity scales with the square root of the electron temperature. The measured H - densities are compatible with a qualitative model in which dissociative attachment of plasma electrons to vibrationally excited molecules is the most important process. (author). 136 refs.; 39 figs.; 10 tabs