Molecular dynamics simulations of poly (ethylene oxide) hydration and conformation in solutions

NASA Astrophysics Data System (ADS)

Dahal, Udaya; Dormidontova, Elena

Polyethylene oxide (PEO) is one of the most actively used polymers, especially in biomedical applications due to its high hydrophilicity, biocompatibility and potency to inhibit protein adsorption. PEO solubility and conformation in water depends on its capability to form hydrogen bonds. Using atomistic molecular dynamics simulations we investigated the details of water packing around PEO chain and characterized the type and lifetime of hydrogen bonds in aqueous and mixed solvent solutions. The observed polymer chain conformation varies from an extended coil in pure water to collapsed globule in hexane and a helical-like conformation in pure isobutyric acid or isobutyric acid -water mixture in agreement with experimental observations. We'll discuss the implications of protic solvent arrangement and stability of hydrogen bonds on PEO chain conformation and mobility. This research is supported by NSF (DMR-1410928).

Potential low cost, safe, high efficiency propellant for future space program

NASA Astrophysics Data System (ADS)

Zhou, D.

2005-03-01

Mixtures of nanometer or micrometer sized carbon powder suspended in hydrogen and methane/hydrogen mixtures are proposed as candidates for low cost, high efficiency propellants for future space programs. While liquid hydrogen has low weight and high heat of combustion per unit mass, because of the low mass density the heat of combustion per unit volume is low, and the liquid hydrogen storage container must be large. The proposed propellants can produce higher gross heat combustion with small volume with trade off of some weight increase. Liquid hydrogen can serve as the fluid component of the propellant in the mixtures and thus used by current rocket engine designs. For example, for the same volume a mixture of 5% methane and 95% hydrogen, can lead to an increase in the gross heat of combustion by about 10% and an increase in the Isp (specific impulse) by 21% compared to a pure liquid hydrogen propellant. At liquid hydrogen temperatures of 20.3 K, methane will be in solid state, and must be formed as fine granules (or slush) to satisfy the requirement of liquid propellant engines.

Electrochemical separation of hydrogen from reformate using PEM fuel cell technology

NASA Astrophysics Data System (ADS)

Gardner, C. L.; Ternan, M.

This article is an examination of the feasibility of electrochemically separating hydrogen obtained by steam reforming a hydrocarbon or alcohol source. A potential advantage of this process is that the carbon dioxide rich exhaust stream should be able to be captured and stored thereby reducing greenhouse gas emissions. Results are presented for the performance of the anode of proton exchange membrane (PEM) electrochemical cell for the separation of hydrogen from a H 2-CO 2 gas mixture and from a H 2-CO 2-CO gas mixture. Experiments were carried out using a single cell state-of-the-art PEM fuel cell. The anode was fed with either a H 2-CO 2 gas mixture or a H 2-CO 2-CO gas mixture and hydrogen was evolved at the cathode. All experiments were performed at room temperature and atmospheric pressure. With the H 2-CO 2 gas mixture the hydrogen extraction efficiency is quite high. When the gas mixture included CO, however, the hydrogen extraction efficiency is relatively poor. To improve the efficiency for the separation of the gas mixture containing CO, the effect of periodic pulsing on the anode potential was examined. Results show that pulsing can substantially reduce the anode potential thereby improving the overall efficiency of the separation process although the anode potential of the CO poisoned and pulsed cell still lies above that of an unpoisoned cell.

Microstructure and hydrogen bonding in water-acetonitrile mixtures.

PubMed

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.

Hydride compositions

DOEpatents

Lee, Myung, W.

1994-01-01

Disclosed are a composition for use in storing hydrogen and a method for making the composition. The composition comprises a mixture of two or more hydrides, each hydride having a different series of hydrogen sorption isotherms that contribute to the overall isotherms of the mixture. The hydrides are chosen so that the isotherms of the mixture have regions wherein the H equilibrium pressure increases with increasing hydrogen, preferably linearly. The isotherms of the mixture can be adjusted by selecting hydrides with different isotherms and by varying the amounts of the individual hydrides, or both. Preferably, the mixture is made up of hydrides that have isotherms with substantially flat plateaus and in nearly equimolar amounts. The composition is activated by degassing, exposing to H, and then heating below the softening temperature of any of the constituents. When the composition is used to store hydrogen, its hydrogen content can be found simply by measuring P{sub H}{sub 2} and determining H/M from the isothermic function of the composition.

Thermal method for fabricating a hydrogen separation membrane on a porous substrate

DOEpatents

Song, Sun-Ju [Orland Park, IL; Lee, Tae H [Naperville, IL; Chen, Ling [Woodridge, IL; Dorris, Stephen E [LaGrange Park, IL; Balachandran, Uthamalingam [Hinsdale, IL

2009-10-20

A thermal method of making a hydrogen permeable composition is disclosed. A mixture of metal oxide powder and ceramic oxide powder and optionally a pore former is formed and pressed to form an article. The article is dried at elevated temperatures and then sintered in a reducing atmosphere to provide a dense hydrogen permeable portion near the surface of the sintered mixture. The dense hydrogen permeable portion has a higher initial concentration of metal than the remainder of the sintered mixture and is present in the range of from about 20 to about 80 percent by volume of the dense hydrogen permeable portion.

Hydrogen-Selective Membrane

DOEpatents

Collins, John P.; Way, J. Douglas

1995-09-19

A hydrogen-selective membrane comprises a tubular porous ceramic support having a palladium metal layer deposited on an inside surface of the ceramic support. The thickness of the palladium layer is greater than about 10 .mu.m but typically less than about 20 .mu.m. The hydrogen permeation rate of the membrane is greater than about 1.0 moles/m.sup.2.s at a temperature of greater than about 500.degree. C. and a transmembrane pressure difference of about 1,500 kPa. Moreover, the hydrogen-to-nitrogen selectivity is greater than about 600 at a temperature of greater than about 500.degree. C. and a transmembrane pressure of about 700 kPa. Hydrogen can be separated from a mixture of gases using the membrane. The method may include the step of heating the mixture of gases to a temperature of greater than about 400.degree. C. and less than about 1000.degree. C. before the step of flowing the mixture of gases past the membrane. The mixture of gases may include ammonia. The ammonia typically is decomposed to provide nitrogen and hydrogen using a catalyst such as nickel. The catalyst may be placed inside the tubular ceramic support. The mixture of gases may be supplied by an industrial process such as the mixture of exhaust gases from the IGCC process.

Hydrogen-selective membrane

DOEpatents

Collins, J.P.; Way, J.D.

1995-09-19

A hydrogen-selective membrane comprises a tubular porous ceramic support having a palladium metal layer deposited on an inside surface of the ceramic support. The thickness of the palladium layer is greater than about 10 {micro}m but typically less than about 20 {micro}m. The hydrogen permeation rate of the membrane is greater than about 1.0 moles/m{sup 2}s at a temperature of greater than about 500 C and a transmembrane pressure difference of about 1,500 kPa. Moreover, the hydrogen-to-nitrogen selectivity is greater than about 600 at a temperature of greater than about 500 C and a transmembrane pressure of about 700 kPa. Hydrogen can be separated from a mixture of gases using the membrane. The method may include the step of heating the mixture of gases to a temperature of greater than about 400 C and less than about 1000 C before the step of flowing the mixture of gases past the membrane. The mixture of gases may include ammonia. The ammonia typically is decomposed to provide nitrogen and hydrogen using a catalyst such as nickel. The catalyst may be placed inside the tubular ceramic support. The mixture of gases may be supplied by an industrial process such as the mixture of exhaust gases from the IGCC process. 9 figs.

Hydrogen-selective membrane

DOEpatents

Collins, J.P.; Way, J.D.

1997-07-29

A hydrogen-selective membrane comprises a tubular porous ceramic support having a palladium metal layer deposited on an inside surface of the ceramic support. The thickness of the palladium layer is greater than about 10 {micro}m but typically less than about 20 {micro}m. The hydrogen permeation rate of the membrane is greater than about 1.0 moles/m{sup 2} s at a temperature of greater than about 500 C and a transmembrane pressure difference of about 1,500 kPa. Moreover, the hydrogen-to-nitrogen selectivity is greater than about 600 at a temperature of greater than about 500 C and a transmembrane pressure of about 700 kPa. Hydrogen can be separated from a mixture of gases using the membrane. The method may include the step of heating the mixture of gases to a temperature of greater than about 400 C and less than about 1000 C before the step of flowing the mixture of gases past the membrane. The mixture of gases may include ammonia. The ammonia typically is decomposed to provide nitrogen and hydrogen using a catalyst such as nickel. The catalyst may be placed inside the tubular ceramic support. The mixture of gases may be supplied by an industrial process such as the mixture of exhaust gases from the IGCC process. 9 figs.

Hydrogen-selective membrane

DOEpatents

Collins, John P.; Way, J. Douglas

1997-01-01

A hydrogen-selective membrane comprises a tubular porous ceramic support having a palladium metal layer deposited on an inside surface of the ceramic support. The thickness of the palladium layer is greater than about 10 .mu.m but typically less than about 20 .mu.m. The hydrogen permeation rate of the membrane is greater than about 1.0 moles/m.sup.2. s at a temperature of greater than about 500.degree. C. and a transmembrane pressure difference of about 1,500 kPa. Moreover, the hydrogen-to-nitrogen selectivity is greater than about 600 at a temperature of greater than about 500.degree. C. and a transmembrane pressure of about 700 kPa. Hydrogen can be separated from a mixture of gases using the membrane. The method may include the step of heating the mixture of gases to a temperature of greater than about 400.degree. C. and less than about 1000.degree. C. before the step of flowing the mixture of gases past the membrane. The mixture of gases may include ammonia. The ammonia typically is decomposed to provide nitrogen and hydrogen using a catalyst such as nickel. The catalyst may be placed inside the tubular ceramic support. The mixture of gases may be supplied by an industrial process such as the mixture of exhaust gases from the IGCC process.

Destabilized and catalyzed borohydride for reversible hydrogen storage

DOEpatents

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.

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

Tushar K Ghosh

The objectives of this proposed research were: 91) Separation and storage of hydrogen on nanophase diamonds. It is expected that the produced hydrogen, which will be in a mixture, can be directed to a nanophase diamond system directly, which will not only store the hydrogen, but also separate it from the gas mixture, and (2) release of the stored hydrogen from the nanophase diamond.

Method for the enzymatic production of hydrogen

DOEpatents

Woodward, Jonathan; Mattingly, Susan M.

1999-01-01

The present invention is an enzymatic method for producing hydrogen comprising the steps of: a) forming a reaction mixture within a reaction vessel comprising a substrate capable of undergoing oxidation within a catabolic reaction, such as glucose, galactose, xylose, mannose, sucrose, lactose, cellulose, xylan and starch. The reaction mixture further comprises an amount of glucose dehydrogenase in an amount sufficient to catalyze the oxidation of the substrate, an amount of hydrogenase sufficient to catalyze an electron-requiring reaction wherein a stoichiometric yield of hydrogen is produced, an amount of pH buffer in an amount sufficient to provide an environment that allows the hydrogenase and the glucose dehydrogenase to retain sufficient activity for the production of hydrogen to occur and also comprising an amount of nicotinamide adenine dinucleotide phosphate sufficient to transfer electrons from the catabolic reaction to the electron-requiring reaction; b) heating the reaction mixture at a temperature sufficient for glucose dehydrogenase and the hydrogenase to retain sufficient activity and sufficient for the production of hydrogen to occur, and heating for a period of time that continues until the hydrogen is no longer produced by the reaction mixture, wherein the catabolic reaction and the electron-requiring reactions have rates of reaction dependent upon the temperature; and c) detecting the hydrogen produced from the reaction mixture.

Method for the enzymatic production of hydrogen

DOEpatents

Woodward, J.; Mattingly, S.M.

1999-08-24

The present invention is an enzymatic method for producing hydrogen comprising the steps of: (a) forming a reaction mixture within a reaction vessel comprising a substrate capable of undergoing oxidation within a catabolic reaction, such as glucose, galactose, xylose, mannose, sucrose, lactose, cellulose, xylan and starch; the reaction mixture also comprising an amount of glucose dehydrogenase in an amount sufficient to catalyze the oxidation of the substrate, an amount of hydrogenase sufficient to catalyze an electron-requiring reaction wherein a stoichiometric yield of hydrogen is produced, an amount of pH buffer in an amount sufficient to provide an environment that allows the hydrogenase and the glucose dehydrogenase to retain sufficient activity for the production of hydrogen to occur and also comprising an amount of nicotinamide adenine dinucleotide phosphate sufficient to transfer electrons from the catabolic reaction to the electron-requiring reaction; (b) heating the reaction mixture at a temperature sufficient for glucose dehydrogenase and the hydrogenase to retain sufficient activity and sufficient for the production of hydrogen to occur, and heating for a period of time that continues until the hydrogen is no longer produced by the reaction mixture, wherein the catabolic reaction and the electron-requiring reactions have rates of reaction dependent upon the temperature; and (c) detecting the hydrogen produced from the reaction mixture. 8 figs.

Variations of the Hydrogen Bonding and of the Hydrogen Bonded Network in Ethanol-Water Mixtures on Cooling.

PubMed

Pothoczki, Szilvia; Pusztai, Laszlo; Bako, Imre

2018-06-12

Molecular dynamics computer simulations have been conducted for ethanol-water liquid mixtures in the water-rich side of the composition range, with 10, 20 and 30 mol % of the alcohol, at temperatures between room temperature and the experimental freezing point of the given mixture. All-atom type (OPLS) interatomic potentials have been assumed for ethanol, in combination with two kinds of rigid water models (SPC/E and TIP4P/2005). Both combinations have provided excellent reproductions of the experimental X-ray total structure factors at each temperature; this yielded a strong basis for further structural analyses. Beyond partial radial distribution functions, various descriptors of hydrogen bonded assemblies, as well as of the hydrogen bonded network have been determined. A clear tendency was observed towards that an increasing proportion of water molecules participate in hydrogen bonding with exactly 2 donor- and 2 acceptor sites as temperature decreases. Concerning larger assemblies held together by hydrogen bonding, the main focus was put on the properties of cyclic entities: it was found that, similarly to methanol-water mixtures, the number of hydrogen bonded rings has increased with lowering temperature. However, for ethanol-water mixtures the dominance of not the six-, but of the five-fold rings could be observed.

Recovery of purified helium or hydrogen from gas mixtures

DOEpatents

Merriman, J.R.; Pashley, J.H.; Stephenson, M.J.; Dunthorn, D.I.

1974-01-15

A process is described for the removal of helium or hydrogen from gaseous mixtures also containing contaminants. The gaseous mixture is contacted with a liquid fluorocarbon in an absorption zone maintained at superatomspheric pressure to preferentially absorb the contaminants in the fluorocarbon. Unabsorbed gas enriched in hydrogen or helium is withdrawn from the absorption zone as product. Liquid fluorocarbon enriched in contaminants is withdrawn separately from the absorption zone. (10 claims)

Cosolvent effect on the dynamics of water in aqueous binary mixtures

NASA Astrophysics Data System (ADS)

Zhang, Xia; Zhang, Lu; Jin, Tan; Zhang, Qiang; Zhuang, Wei

2018-04-01

Water rotational dynamics in the mixtures of water and amphiphilic molecules, such as acetone and dimethyl sulfoxide (DMSO), measured by femtosecond infrared, often vary non-monotonically as the amphiphilic molecule's molar fraction changes from 0 to 1. Recent study has attributed the non-ideal water rotation with concentration in DMSO-water mixtures to different microscopic hydrophilic-hydrophobic segregation structure in water-rich and water-poor mixtures. Interestingly, the acetone molecule has very similar molecular structure to DMSO, but the extremum of the water rotational time in the DMSO-water mixtures significantly shifts to lower concentration and the rotation of water is much faster than those in acetone-water mixtures. The simulation results here shows that the non-ideal rotational dynamics of water in both mixtures are due to the frame rotation during the interval of hydrogen bond (HB) switchings. A turnover of the frame rotation with concentration takes place as the structure transition of mixture from the hydrogen bond percolation structure to the hydrophobic percolation structure. The weak acetone-water hydrogen bond strengthens the hydrophobic aggregation and accelerates the relaxation of the hydrogen bond, so that the structure transition takes places at lower concentration and the rotation of water is faster in acetone-water mixture than in DMSO-water mixture. A generally microscopic picture on the mixing effect on the water dynamics in binary aqueous mixtures is presented here.

Hydrophobic fluorine mediated switching of the hydrogen bonding site as well as orientation of water molecules in the aqueous mixture of monofluoroethanol: IR, molecular dynamics and quantum chemical studies.

PubMed

Mondal, Saptarsi; Biswas, Biswajit; Nandy, Tonima; Singh, Prashant Chandra

2017-09-20

The local structures between water-water, alcohol-water and alcohol-alcohol have been investigated for aqueous mixtures of ethanol (ETH) and monofluoroethanol (MFE) by the deconvolution of IR bands in the OH stretching region, molecular dynamics simulation and quantum chemical calculations. It has been found that the addition of a small amount of ETH into the aqueous medium increases the strength of the hydrogen bonds between water molecules. In an aqueous mixture of MFE, the substitution of a single fluorine induces a change in the orientation as well as the hydrogen bonding site of water molecules from the oxygen to the fluorine terminal of MFE. The switching of the hydrogen bonding site of water in the aqueous mixture of MFE results in comparatively strong hydrogen bonds between MFE and water molecules as well as less clustering of water molecules, unlike the case of the aqueous mixture of ETH. These findings about the modification of a hydrogen bond network by the hydrophobic fluorine group probably make fluorinated molecules useful for pharmaceutical as well as biological applications.

Features of the propagation of laminar spherical flames initiated by a spark discharge in mixtures of methane, pentane, and hydrogen with air at atmospheric pressure

NASA Astrophysics Data System (ADS)

Rubtsov, N. M.; Seplyarskii, B. S.; Troshin, K. Ya.; Chernysh, V. I.; Tsvetkov, G. I.

2011-10-01

Using high-speed digital color cinematography, we studied the propagation of a laminar spherical flame in stoichiometric mixtures of hydrogen, methane, and pentane with air in the presence of additives at atmospheric pressure in constant-volume reactors, and derived quantitative data on the time of formation of a stable flame front. Cellular flames caused by gas-dynamic instability attributable to convective flows arising during the afterburning of gas were observed in hydrocarbon-air stoichiometric mixtures diluted with inert additives. It was found that the effect of additives of carbon dioxide and argon (>10%) and minor additives of CCl4 on the combustion of hydrocarbons, and of propylene on the combustion of hydrogen-rich mixtures, lead to periods of delay in the development of a laminar spherical flame; in addition, additives of propylene promote the combustion of hydrogen poor mixtures.

Separation of gaseous hydrogen from a water-hydrogen mixture in a fuel cell power system operating in a weightless environment

NASA Technical Reports Server (NTRS)

Romanowski, William E. (Inventor); Suljak, George T. (Inventor)

1989-01-01

A fuel cell power system for use in a weightless environment, such as in space, includes a device for removing water from a water-hydrogen mixture condensed from the exhaust from the fuel cell power section of the system. Water is removed from the mixture in a centrifugal separator, and is fed into a holding, pressure operated water discharge valve via a Pitot tube. Entrained nondissolved hydrogen is removed from the Pitot tube by a bleed orifice in the Pitot tube before the water reaches the water discharge valve. Water discharged from the valve thus has a substantially reduced hydrogen content.

Hydrogenation with monolith reactor under conditions of immiscible liquid phases

DOEpatents

Nordquist, Andrew Francis; Wilhelm, Frederick Carl; Waller, Francis Joseph; Machado, Reinaldo Mario

2002-01-01

The present invention relates to an improved for the hydrogenation of an immiscible mixture of an organic reactant in water. The immiscible mixture can result from the generation of water by the hydrogenation reaction itself or, by the addition of, water to the reactant prior to contact with the catalyst. The improvement resides in effecting the hydrogenation reaction in a monolith catalytic reactor from 100 to 800 cpi, at a superficial velocity of from 0.1 to 2 m/second in the absence of a cosolvent for the immiscible mixture. In a preferred embodiment, the hydrogenation is carried out using a monolith support which has a polymer network/carbon coating onto which a transition metal is deposited.

Measurements of the structure of an ionizing shock wave in a hydrogen-helium mixture

NASA Technical Reports Server (NTRS)

Leibowitz, L. P.

1972-01-01

Shock structure during ionization of a hydrogen-helium mixture was studied using hydrogen line and continuum emission measurements. A reaction scheme is proposed which includes hydrogen dissociation and a two-step excitation-ionization mechanism for hydrogen ionization by atom-atom and atom-electron collisions. Agreement was achieved between numerical calculations and measurements of emission intensity as a function of time for shock velocities from 13 to 20 km/sec in a 0.208 H2 - 0.792 He mixture. The electron temperature was found to be significantly different from the heavy particle temperature during much of the ionization process. Similar time histories for H beta and continuum emission indicate upper level populations of hydrogen in equilibrium with the electron concentration during the relaxation process.

Measurements of the structure of an ionizing shock wave in a hydrogen-helium mixture.

NASA Technical Reports Server (NTRS)

Leibowitz, L. P.

1973-01-01

Shock structure during ionization of a hydrogen-helium mixture has been followed using hydrogen line and continuum emission measurements. A reaction scheme is proposed which includes hydrogen dissociation and a two-step excitation-ionization mechanism for hydrogen ionization by atom-atom and atom-electron collisions. Agreement has been achieved between numerical calculations and measurements of emission intensity as a function of time for shock velocities from 13 to 20 km/sec in a 0.208 H2-0.792 He mixture. The electron temperature was found to be significantly different from the heavy particle temperature during much of the ionization process. Similar time histories for H beta and continuum emission indicate upper level populations of hydrogen in equilibrium with the electron concentration during the relaxation process.

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

DOEpatents

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

2011-03-08

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

Low power dc arcjet operation with hydrogen/nitrogen/ammonia mixtures

NASA Technical Reports Server (NTRS)

Hardy, Terry L.; Curran, Francis M.

1986-01-01

The effect of gas composition and ambient pressure on arcjet operation was determined. Arcjet operation in different facilities was also compared to determine the validity of tests in small facilities. Volt-ampere characteristics were determined for an arcjet using hydrogen/nitrogen mixtures (simulating both ammonia and hydrazine), hydrogen/nitrogen/ammonia mixtures, and pure ammonia as propellants at various flow rates. The arcjet had a typical performance of 450 sec specific impulse at 1 kW with hydrogen/nitrogen mixtures. It was determined that the amount of ammonia present in the gas stream had a significant effect on the arcjet volt-ampere characteristics. Also, hydrogen/nitrogen mixtures simulating ammonia gave arc characteristics approximately the same as those of pure ammonia. Finally, no differences in arc volt-ampere characteristics were seen between low and high ambient pressure operation in the same facility. A 3 to 5 V difference was seen when different facilities were compared, but this difference was probably due to differences in the voltage drops across the current connections, and not due to arcjet operational differences in the two facilities.

3D Reacting Flow Analysis of LANTR Nozzles

NASA Astrophysics Data System (ADS)

Stewart, Mark E. M.; Krivanek, Thomas M.; Hemminger, Joseph A.; Bulman, M. J.

2006-01-01

This paper presents performance predictions for LANTR nozzles and the system implications for their use in a manned Mars mission. The LANTR concept is rocket thrust augmentation by injecting Oxygen into the nozzle to combust the Hydrogen exhaust of a Nuclear Thermal Rocket. The performance predictions are based on three-dimensional reacting flow simulations using VULCAN. These simulations explore a range of O2/H2 mixture ratios, injector configurations, and concepts. These performance predictions are used for a trade analysis within a system study for a manned Mars mission. Results indicate that the greatest benefit of LANTR will occur with In-Situ Resource Utilization (ISRU). However, Hydrogen propellant volume reductions may allow greater margins for fitting tanks within the launch vehicle where packaging issues occur.

Great (Flame) Balls of Fire! Structure of Flame Balls at Low Lewis-number-2 (SOFBALL-2)

NASA Technical Reports Server (NTRS)

Ronney, Paul; Weiland, Karen J.; Over, Ann (Technical Monitor)

2002-01-01

Everyone knows that an automobile engine wastes fuel and energy when it runs with a fuel-rich mixture. 'Lean' burning, mixing in more air and less fuel, is better for the environment. But lean mixtures also lead to engine misfiring and rough operation. No one knows the ultimate limits for lean operation, for 'weak' combustion that is friendly to the environment while still moving us around. This is where the accidental verification of a decades-old prediction may have strong implications for designing and running low-emissions engines in the 21st century. In 1944, Soviet physicist Yakov Zeldovich predicted that stationary, spherical flames are possible under limited conditions in lean fuel-air mixtures. Dr. Paul Ronney of the University of Southern California accidentally discovered such 'flame balls' in experiments with lean hydrogen-air mixtures in 1984 during drop-tower experiments that provided just 2.2 seconds of near weightlessness. Experiments aboard NASA's low-g aircraft confirmed the results, but a thorough investigation was hampered by the aircraft's bumpy ride. And stable flame balls can only exist in microgravity. The potential for investigating combustion at the limits of flammability, and the implications for spacecraft fire safety, led to the Structure of Flame Balls at Low Lewis-number (SOFBALL) experiment flown twice aboard the Space Shuttle on the Microgravity Sciences Laboratory-1 (MSL-1) in 1997. Success there led to the planned reflight on STS-107. Flame balls are the weakest fires yet produced in space or on Earth. Typically each flame ball produced only 1 watt of thermal power. By comparison, a birthday candle produces 50 watts. The Lewis-number measures the rate of diffusion of fuel into the flame ball relative to the rate of diffusion of heat away from the flame ball. Lewis-number mixtures conduct heat poorly. Hydrogen and methane are the only fuels that provide low enough Lewis-numbers to produce stable flame balls, and even then only for very weak, barely flammable mixtures. Nevertheless, under these conditions flame balls give scientists the opportunity to test models in one of the simplest combustion experiments possible. SOFBALL-2 science objectives include: Improving our understanding of the flame ball phenomenon; Determining the conditions under which flame balls exist; Testing predictions of flame ball lifetimes; Acquiring more precise data for critical model comparison.

Predictions of glass transition temperature for hydrogen bonding biomaterials.

PubMed

van der Sman, R G M

2013-12-19

We show that the glass transition of a multitude of mixtures containing hydrogen bonding materials correlates strongly with the effective number of hydroxyl groups per molecule, which are available for intermolecular hydrogen bonding. This correlation is in compliance with the topological constraint theory, wherein the intermolecular hydrogen bonds constrain the mobility of the hydrogen bonded network. The finding that the glass transition relates to hydrogen bonding rather than free volume agrees with our recent finding that there is little difference in free volume among carbohydrates and polysaccharides. For binary and ternary mixtures of sugars, polyols, or biopolymers with water, our correlation states that the glass transition temperature is linear with the inverse of the number of effective hydroxyl groups per molecule. Only for dry biopolymer/sugar or sugar/polyol mixtures do we find deviations due to nonideal mixing, imposed by microheterogeneity.

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

NASA Technical Reports Server (NTRS)

Carson, G. T., Jr.

1974-01-01

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

Effect of gravity on the stability and structure of lean hydrogen-air flames

NASA Technical Reports Server (NTRS)

Patnaik, G.; Kailasanath, K.

1991-01-01

Detailed, time-dependent, 2D numerical simulations with full hydrogen-oxygen chemistry are used to investigate the effects of gravity on the stability and structure of laminar flames in lean, premixed hydrogen-air mixtures. The calculations show that the effects of gravity becomes more important as the lean flammability limit is approached. In a 12 percent hydrogen-air mixture, gravity plays only a secondary role in determining the multidimensional structure of the flame with the stability and structure of the flame controlled primarily by the thermo-diffusive instability mechanism. However, in leaner hydrogen-air mixtures gravity becomes more important. Upward-propagating flames are highly curved and evolve into a bubble rising upwards in the tube. Downward-propagating flames are flat or even oscillate between structures with concave and convex curvatures. The zero-gravity flame shows only cellular structures. Cellular structures which are present in zero gravity can be suppressed by the effect of buoyancy for mixtures leaner than 11 percent hydrogen. These observations are explained on the basis of an interaction between the processes leading to buoyancy-induced Rayleigh-Taylor instability and the thermo-diffusive instability.

Thermal decomposition of silane to form hydrogenated amorphous Si

DOEpatents

Strongin, M.; Ghosh, A.K.; Wiesmann, H.J.; Rock, E.B.; Lutz, H.A. III

Hydrogenated amorphous silicon is produced by thermally decomposing silane (SiH/sub 4/) or other gases comprising H and Si, at elevated temperatures of about 1700 to 2300/sup 0/C, in a vacuum of about 10/sup -8/ to 10/sup -4/ torr. A gaseous mixture is formed of atomic hydrogen and atomic silicon. The gaseous mixture is deposited onto a substrate to form hydrogenated amorphous silicon.

InGaP/InGaAs field-effect transistor typed hydrogen sensor

NASA Astrophysics Data System (ADS)

Tsai, Jung-Hui; Liou, Syuan-Hao; Lin, Pao-Sheng; Chen, Yu-Chi

2018-02-01

In this article, the Pd-based mixture comprising silicon dioxide (SiO2) is applied as sensing material for the InGaP/InGaAs field-effect transistor typed hydrogen sensor. After wet selectively etching the SiO2, the mixture is turned into Pd nanoparticles on an interlayer. Experimental results depict that hydrogen atoms trapped inside the mixture could effectively decrease the gate barrier height and increase the drain current due to the improved sensing properties when Pd nanoparticles were formed by wet etching method. The sensitivity of the gate forward current from air (the reference) to 9800 ppm hydrogen/air environment approaches the high value of 1674. Thus, the studied device shows a good potential for hydrogen sensor and integrated circuit applications.

Non-linear hydroxyl radical formation rate in dispersions containing mixtures of pyrite and chalcopyrite particles

NASA Astrophysics Data System (ADS)

Kaur, Jasmeet; Schoonen, Martin A.

2017-06-01

The formation of hydroxyl radicals was studied in mixed pyrite-chalcopyrite dispersions in water using the conversion rate of adenine as a proxy for hydroxyl radical formation rate. Experiments were conducted as a function of pH, presence of phosphate buffer, surface loading, and pyrite-to-chalcopyrite ratio. The results indicate that hydroxyl radical formation rate in mixed systems is non-linear with respect to the rates in the pure endmember dispersions. The only exception is a set of experiments in which phosphate buffer is used. In the presence of phosphate buffer, the hydroxyl radical formation is suppressed in mixtures and the rate is close to that predicted based on the reaction kinetics of the pure endmembers. The non-linear hydroxyl radical formation in dispersions containing mixtures of pyrite and chalcopyrite is likely the result of two complementary processes. One is the fact that pyrite and chalcopyrite form a galvanic couple. In this arrangement, chalcopyrite oxidation is accelerated, while pyrite passes electrons withdrawn from chalcopyrite to molecular oxygen, the oxidant. The incomplete reduction of molecular oxygen leads to the formation of hydrogen peroxide and hydroxyl radical. The galvanic coupling appears to be augmented by the fact that chalcopyrite generates a significant amount of hydrogen peroxide upon dispersal in water. This hydrogen peroxide is then available for conversion to hydroxyl radical, which appears to be facilitated by pyrite as chalcopyrite itself produces only minor amounts of hydroxyl radical. In essence, pyrite is a ;co-factor; that facilitates the conversion of hydrogen peroxide to hydroxyl radical. This conversion reaction is a surface-mediated reaction. Given that hydroxyl radical is one of the most reactive species in nature, the formation of hydroxyl radicals in aqueous systems containing chalcopyrite and pyrite has implications for the stability of organic molecules, biomolecules, the viability of microbes, and exposure to dust containing the two metal sulfides may present a health burden.

Hydrogen rich gas generator

NASA Technical Reports Server (NTRS)

Houseman, J. (Inventor)

1976-01-01

A process and apparatus is described for producing a hydrogen rich gas by introducing a liquid hydrocarbon fuel in the form of a spray into a partial oxidation region and mixing with a mixture of steam and air that is preheated by indirect heat exchange with the formed hydrogen rich gas, igniting the hydrocarbon fuel spray mixed with the preheated mixture of steam and air within the partial oxidation region to form a hydrogen rich gas.

Composition and method for polymer moderated catalytic water formation

DOEpatents

Shepodd, Timothy Jon

1999-01-01

A composition suitable for safely removing hydrogen from gaseous mixtures containing hydrogen and oxygen, particularly those mixtures wherein the hydrogen concentration is within the explosive range. The composition comprises a hydrogenation catalyst, preferably Pd dispersed on carbon, wherein the concentration of Pd is from about 1-10 wt %, dispersed in a polymeric material matrix. As well as serving as a matrix to contain the hydrogenation catalyst, the polymeric material, which is substantially unreactive to hydrogen, provides both a diffusion restriction to hydrogen and oxygen, thereby limiting the rate at which the reactants (hydrogen and oxygen) can diffuse to the catalyst surface and thus, the production of heat from the recombination reaction and as a heat sink.

Method of produce ultra-low friction carbon films

DOEpatents

Erdemir, Ali; Fenske, George R.; Eryilmaz, Osman Levent; Lee, Richard H.

2003-04-15

A method and article of manufacture of amorphous diamond-like carbon. The method involves providing a substrate in a chamber, providing a mixture of a carbon containing gas and hydrogen gas with the mixture adjusted such that the atomic molar ratio of carbon to hydrogen is less than 0.3, including all carbon atoms and all hydrogen atoms in the mixture. A plasma is formed of the mixture and the amorphous diamond-like carbon film is deposited on the substrate. To achieve optimum bonding an intervening bonding layer, such as Si or SiO.sub.2, can be formed from SiH.sub.4 with or without oxidation of the layer formed.

Oxidation resistant organic hydrogen getters

DOEpatents

Shepodd, Timothy J [Livermore, CA; Buffleben, George M [Tracy, CA

2008-09-09

A composition for removing hydrogen from an atmosphere, comprising a mixture of a polyphenyl ether and a hydrogenation catalyst, preferably a precious metal catalyst, and most preferably Pt. This composition is stable in the presence of oxygen, will not polymerize or degrade upon exposure to temperatures in excess of 200.degree. C., or prolonged exposure to temperatures in the range of 100-300.degree. C. Moreover, these novel hydrogen getter materials can be used to efficiently removing hydrogen from mixtures of hydrogen/inert gas (e.g., He, Ar, N.sub.2), hydrogen/ammonia atmospheres, such as may be encountered in heat exchangers, and hydrogen/carbon dioxide atmospheres. Water vapor and common atmospheric gases have no adverse effect on the ability of these getter materials to absorb hydrogen.

Method for the purification of noble gases, nitrogen and hydrogen

DOEpatents

Baker, J.D.; Meikrantz, D.H.; Tuggle, D.G.

1997-09-23

A method and apparatus are disclosed for the purification and collection of hydrogen isotopes in a flowing inert gaseous mixture containing impurities, wherein metal alloy getters having the capability of sorbing non-hydrogen impurities such as oxygen, carbon dioxide, carbon monoxide, methane, ammonia, nitrogen and water vapor are utilized to purify the gaseous mixture of impurities. After purification hydrogen isotopes may be more efficiently collected. A plurality of parallel process lines utilizing metal getter alloys can be used to provide for the continuous purification and collection of the hydrogen isotopes. 15 figs.

Method for the purification of noble gases, nitrogen and hydrogen

DOEpatents

Baker, John D.; Meikrantz, David H.; Tuggle, Dale G.

1997-01-01

A method and apparatus for the purification and collection of hydrogen isotopes in a flowing inert gaseous mixture containing impurities, wherein metal alloy getters having the capability of sorbing non-hydrogen impurities such as oxygen, carbon dioxide, carbon monoxide, methane, ammonia, nitrogen and water vapor are utilized to purify the gaseous mixture of impurities. After purification hydrogen isotopes may be more efficiently collected. A plurality of parallel process lines utilizing metal getter alloys can be used to provide for the continuous purification and collection of the hydrogen isotopes.

Phase Diagram of Hydrogen and a Hydrogen-Helium Mixture at Planetary Conditions by Quantum Monte Carlo Simulations

NASA Astrophysics Data System (ADS)

Mazzola, Guglielmo; Helled, Ravit; Sorella, Sandro

2018-01-01

Understanding planetary interiors is directly linked to our ability of simulating exotic quantum mechanical systems such as hydrogen (H) and hydrogen-helium (H-He) mixtures at high pressures and temperatures. Equation of state (EOS) tables based on density functional theory are commonly used by planetary scientists, although this method allows only for a qualitative description of the phase diagram. Here we report quantum Monte Carlo (QMC) molecular dynamics simulations of pure H and H-He mixture. We calculate the first QMC EOS at 6000 K for a H-He mixture of a protosolar composition, and show the crucial influence of He on the H metallization pressure. Our results can be used to calibrate other EOS calculations and are very timely given the accurate determination of Jupiter's gravitational field from the NASA Juno mission and the effort to determine its structure.

Communication: Hydrogen bonding interactions in water-alcohol mixtures from X-ray absorption spectroscopy

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

Lam, Royce K.; Smith, Jacob W.; Saykally, Richard J., E-mail: saykally@berkeley.edu

While methanol and ethanol are macroscopically miscible with water, their mixtures exhibit negative excess entropies of mixing. Despite considerable effort in both experiment and theory, there remains significant disagreement regarding the origin of this effect. Different models for the liquid mixture structure have been proposed to address this behavior, including the enhancement of the water hydrogen bonding network around the alcohol hydrophobic groups and microscopic immiscibility or clustering. We have investigated mixtures of methanol, ethanol, and isopropanol with water by liquid microjet X-ray absorption spectroscopy on the oxygen K-edge, an atom-specific probe providing details of both inter- and intra-molecular structure.more » The measured spectra evidence a significant enhancement of hydrogen bonding originating from the methanol and ethanol hydroxyl groups upon the addition of water. These additional hydrogen bonding interactions would strengthen the liquid-liquid interactions, resulting in additional ordering in the liquid structures and leading to a reduction in entropy and a negative enthalpy of mixing, consistent with existing thermodynamic data. In contrast, the spectra of the isopropanol-water mixtures exhibit an increase in the number of broken alcohol hydrogen bonds for mixtures containing up to 0.5 water mole fraction, an observation consistent with existing enthalpy of mixing data, suggesting that the measured negative excess entropy is a result of clustering or micro-immiscibility.« less

Method for absorbing hydrogen using an oxidation resisant organic hydrogen getter

DOEpatents

Shepodd, Timothy J [Livermore, CA; Buffleben, George M [Tracy, CA

2009-02-03

A composition for removing hydrogen from an atmosphere, comprising a mixture of a polyphenyl ether and a hydrogenation catalyst, preferably a precious metal catalyst, and most preferably platinum, is disclosed. This composition is stable in the presence of oxygen, will not polymerize or degrade upon exposure to temperatures in excess of 200.degree. C., or prolonged exposure to temperatures in the range of 100-300.degree. C. Moreover, these novel hydrogen getter materials can be used to efficiently remove hydrogen from mixtures of hydrogen/inert gas (e.g., He, Ar, N.sub.2), hydrogen/ammonia atmospheres, such as may be encountered in heat exchangers, and hydrogen/carbon dioxide atmospheres. Water vapor and common atmospheric gases have no adverse effect on the ability of these getter materials to absorb hydrogen.

Variations in the Strength of the Infrared Forbidden 2328.2 cm-1 Fundamental of Solid N2 in Binary Mixtures

NASA Technical Reports Server (NTRS)

Bernstein, Max P.; Sandford, Scott A.; Mead, Susan (Technical Monitor)

2002-01-01

We present the 2335-2325 cm(exp -1) infrared spectra and band positions, profiles, and strengths (A values) of solid nitrogen and binary mixtures of N2 with other molecules at 12 K. The data demonstrate that the strength of the infrared forbidden N2 fundamental near 2328 cm(exp -1) is moderately enhanced in the presence of NH3, strongly enhanced in the presence of H2O and very strongly enhanced in the presence of CO2, but is not significantly affected by CO, CH4, or O2. The mechanisms for the enhancements in N2-NH3 and N2-H2O mixtures are fundamentally different from those proposed for N2-CO2 mixtures. In the first case, interactions involving hydrogen-bonding are likely the cause. In the latter, a resonant exchange between the N2 stretching fundamental and the O-18=C-12 asymmetric stretch of O-18C-12O-16 is indicated. The implications of these results for several astrophysical issues are briefly discussed.

Hydrogen combustion in a flat semi-confined layer with respect to the Fukushima Daiichi accident

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

Kuznetsov, M.; Yanez, J.; Grune, J.

2012-07-01

The hydrogen accumulation at the top of containment or reactor building may occur due to an interaction of molten corium and water followed by a severe accident of a nuclear reactor (TMI, Chernobyl, Fukushima Daiichi). The hydrogen, released from the reactor, accumulates usually as a stratified semi-confined layer of hydrogen-air mixture. A series of large scale experiments on hydrogen combustion and explosion in a semi-confined layer of uniform and non-uniform hydrogen-air mixtures in presence of obstructions or without them was performed at the Karlsruhe Inst. of Technology (KIT). Different flame propagation regimes from slow subsonic to relative fast sonic flamesmore » and then to the detonations were experimentally investigated in different geometries and then simulated with COMSD code with respect to evaluate amount of burnt hydrogen taken place during the Fukushima Daiichi Accident (FDA). The experiments were performed in a horizontal semi-confined layer with dimensions of 9x3x0.6 m with/without obstacles opened from below. The hydrogen concentration in the mixtures with air was varied in the range of 0-34 vol. % without or with a gradient of 0-60 vol. %H{sub 2}/m. Effects of hydrogen concentration gradient, thickness of the layer, geometry of the obstructions, average and maximum hydrogen concentration on flame propagation regimes were investigated with respect to evaluate the maximum pressure loads of internal structures. Blast wave strength and dynamics of propagation after explosion of the layer of hydrogen-air mixture was numerically simulated to reproduce the hydrogen explosion process during the Fukushima Daiichi Accident. (authors)« less

Inhalation toxicology. IX., Times-to-incapacitation for rats exposed to carbon monoxide alone, to hydrogen cyanide alone, and to mixtures of carbon monoxide and hydrogen cyanide.

DOT National Transportation Integrated Search

1989-01-01

Laboratory rats were exposed to experimental atmospheres that contained a) carbon monoxide in air, b) hydrogen cyanide in air, and c) mixtures of CO and HCN in air. The toxic potency of each of the three types of environments was evaluated toxico-kin...

An Experimental Investigation of Hypergolic Ignition Delay of Hydrogen Peroxide with Fuel Mixtures

NASA Technical Reports Server (NTRS)

Blevins, John A.; Gostowski, Rudy; Chianese, Silvio

2003-01-01

An experimental evaluation of decomposition and ignition delay of hydrogen peroxide at concentrations of 80% to 98% with combinations of hydrocarbon fuels, tertiary amines and transition metal chelates will be presented in the proposed paper. The results will be compared to hydrazine ignition delays with hydrogen peroxide and nitric acid mixtures using the same test apparatus.

The principal phenolic and alcoholic components of wine protect human lymphocytes against hydrogen peroxide- and ionizing radiation-induced DNA damage in vitro.

PubMed

Greenrod, William; Fenech, Michael

2003-03-01

We have tested the hypothesis that the alcoholic and phenolic components of wine are protective against the DNA-damaging and cytotoxic effects of hydrogen peroxide and gamma-radiation in vitro. The components of wine tested were ethanol, glycerol, a mixture of the phenolic compounds catechin and caffeic acid and tartaric acid, all at concentrations that were 2.5 or 10.0% of the concentration in a typical Australian white wine (Riesling). These components were tested individually or combined as a mixture and compared to a white wine stripped of polyphenols, as well as a Hanks balanced salt solution control, which was the diluent for the wine components. The effect of the components was tested in lymphocytes, using the cytokinesis-block micronucleus assay, after 30 min incubation in plasma or whole blood for the hydrogen peroxide or gamma-radiation challenge, respectively. The results obtained showed that ethanol, glycerol, the catechin-caffeic acid mixture, the mixture of all components and the stripped white wine significantly reduced the DNA-damaging effects of hydrogen peroxide and gamma-radiation (P = 0.043-0.001, ANOVA). The strongest protective effect against DNA damage by gamma-irradiation was observed for the catechin-caffeic acid mixture and the mixture of all components (30 and 32% reduction, respectively). These two treatments as well as ethanol produced the strongest protective effects against DNA damage by hydrogen peroxide (24, 25 and 18%, respectively). The protection provided by the mixture did not account for the expected additive protective effects of the individual components. Ethanol was the only component that significantly increased baseline DNA damage rate, however, this effect was negated in the mixture. In conclusion, our results suggest that the main phenolic and alcoholic components of wine can reduce the DNA-damaging effects of two important oxidants, i.e. hydrogen peroxide and ionizing radiation, in this physiologically relevant in vitro system.

The ignition delay times of hydrogen/silan/air mixtures at low temperatures

NASA Astrophysics Data System (ADS)

Tropin, D. A.; Bochenkov, E. S.; Fedorov, A. V.

2018-03-01

In the paper the ignition delay times of hydrogen-silane-air mixtures at low pressures from 0.4 atm to 1 atm and mixture temperatures from 300 K to 900 K using the detailed kinetic mechanisms were calculated. It was shown that dependencies of ignition delay time on temperature are non-monotonic. In these dependences a region of "negative temperature coefficient" is presented. The effect of the mixture pressure and the silane concentration in the mixture on the length of this region was revealed. It was shown that the increasing of the silane concentration in the mixture, as well as the increasing the mixture pressure, leads to increasing of the "negative temperature coefficient" region length.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

Low power DC arcjet operation with hydrogen/nitrogen/ammonia mixtures

NASA Technical Reports Server (NTRS)

Hardy, Terry L.; Curran, Francis M.

1987-01-01

The effect of gas composition and ambient pressure on arcjet operation was determined. Arcjet operation in different facilities was also compared to determine the validity of tests in small facilities. Volt-ampere characteristics were determined for an arcjet using hydrogen/nitrogen mixtures (simulating both ammonia and hydrazine), hydrogen/nitrogen/ammonia mixtures, and pure ammonia as propellants at various flow rates. The arcjet had a typical performance of 450 sec specific impulse at 1 kW with hydrogen/nitrogen mixures. It was determined that the amount of ammonia present in the gas stream had a significant effect on the arcjet volt-ampere characteristics. Also, hydrogen/nitrogen mixtures simulating ammonia gave arc characteristics approximately the same as those of pure ammonia. Finally, no differences in arc volt-ampere characteristics were seen between low and high ambient pressure operation in the same facility. A 3 to 5 V difference was seen when different facilities were compared, but this difference was probably due to differences in the voltage drops across the current connections, and not due to arcjet operational differences in the two facilities.

Thermal decomposition of silane to form hydrogenated amorphous Si film

DOEpatents

Strongin, Myron; Ghosh, Arup K.; Wiesmann, Harold J.; Rock, Edward B.; Lutz, III, Harry A.

1980-01-01

This invention relates to hydrogenated amorphous silicon produced by thermally decomposing silano (SiH.sub.4) or other gases comprising H and Si, at elevated temperatures of about 1700.degree.-2300.degree. C., and preferably in a vacuum of about 10.sup.-8 to 10.sup.-4 torr, to form a gaseous mixture of atomic hydrogen and atomic silicon, and depositing said gaseous mixture onto a substrate outside said source of thermal decomposition to form hydrogenated amorphous silicon.

Propagation of detonation wave in hydrogen-air mixture in channels with sound-absorbing surfaces

NASA Astrophysics Data System (ADS)

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

2015-12-01

The possibility of using sound-absorbing surfaces for attenuating the intensity of detonation waves propagating in hydrogen-air mixtures has been experimentally studied in a cylindrical detonation tube open at one end, with an explosive initiated by spark discharge at the closed end. Sound-absorbing elements were made of an acoustic-grade foamed rubber with density of 0.035 g/cm3 containing open pores with an average diameter of 0.5 mm. The degree of attenuation of the detonation wave front velocity was determined as dependent on the volume fraction of hydrogen in the gas mixture.

Slow dielectric response of Debye-type in water and other hydrogen bonded liquids

NASA Astrophysics Data System (ADS)

Jansson, Helén; Bergman, Rikard; Swenson, Jan

2010-05-01

The slow dynamics of some hydrogen bonded glass-forming liquids has been investigated by broadband dielectric spectroscopy. We show that the polyalcohols glycerol, xylitol, and sorbitol, and mixtures of glycerol and water, and in fact, even pure water exhibit a process of Debye character at longer time-scales than the glass transition and viscosity related α-relaxation. Even if it is less pronounced, this process displays many similarities to the well-studied Debye-like process in monoalcohols. It can be observed in both the negative derivative of the real part of the permittivity or in the imaginary part of the permittivity, if the conductivity contribution is reduced. In the present study the conductivity contribution has been suppressed by use of a thin Teflon film placed between the sample and one of the electrodes. The new findings might have important implications for the structure and dynamics of hydrogen bonded liquids in general, and for water in particular.

Lower power dc arcjet operations with hydrogen hydrogen/nitrogen propellant mixtures

NASA Technical Reports Server (NTRS)

Curran, F. M.; Nakanishi, S.

1986-01-01

The arcjet assembly from a flight model system was modified with a new thoriated tungsten nozzle insert and has been tested with hydrogen-nitrogen mixtures simulating the decomposition products of ammonia and hydrazine. Arcjet power consumption ranged from 0.7 to 1.15 kW depending on low rate, input current, and mixture composition. At a nominal 1 kW power level the ammonia mixtures thrust efficiency was about 0.31 at specific impulse values ranging between 460 and 500 sec. Hydrazine mixtures gave similar thrust efficiencies at the same power level with specific impulse values between 395 and 430 sec. Large, spontaneous voltage mode changes were not observed once the thruster had passed a period of instability immediately following start up. This period of instability, and the startup at low pressure, were seen as major causes of constrictor damage during the tests.

Study of the potential for improving the economics of hydrogen liquefaction through the use of centrifugal compressors and the addition of a heavy water plant

NASA Technical Reports Server (NTRS)

Baker, C. R.

1977-01-01

An approach to the liquefaction of hydrogen was developed which permits the application of standard centrifugal compressors in place of reciprocating machines. A second fluid, such as propane, is added to the hydrogen prior to compression to form a mixture having a molecular weight much greater than that of hydrogen alone, so that a standard centrifugal compressor can be used. After compression, the mixture is cooled to cryogenic temperature levels where the propane condenses out of the mixture and is separated as a liquid. Since a small amount of deuterium is produced during hydrogen liquefaction, the potential of recovering deuterium and selling it as a co-product was investigated. Deuterium, in the form of heavy water, can be used in certain nuclear reactors as a neutron moderator to reduce the neutron velocity and enhance the probability of neutron collision with uranium nucleii.

Ignition in an Atomistic Model of Hydrogen Oxidation.

PubMed

Alaghemandi, Mohammad; Newcomb, Lucas B; Green, Jason R

2017-03-02

Hydrogen is a potential substitute for fossil fuels that would reduce the combustive emission of carbon dioxide. However, the low ignition energy needed to initiate oxidation imposes constraints on the efficiency and safety of hydrogen-based technologies. Microscopic details of the combustion processes, ephemeral transient species, and complex reaction networks are necessary to control and optimize the use of hydrogen as a commercial fuel. Here, we report estimates of the ignition time of hydrogen-oxygen mixtures over a wide range of equivalence ratios from extensive reactive molecular dynamics simulations. These data show that the shortest ignition time corresponds to a fuel-lean mixture with an equivalence ratio of 0.5, where the number of hydrogen and oxygen molecules in the initial mixture are identical, in good agreement with a recent chemical kinetic model. We find two signatures in the simulation data precede ignition at pressures above 200 MPa. First, there is a peak in hydrogen peroxide that signals ignition is imminent in about 100 ps. Second, we find a strong anticorrelation between the ignition time and the rate of energy dissipation, suggesting the role of thermal feedback in stimulating ignition.

Concentration of atomic hydrogen in a dielectric barrier discharge measured by two-photon absorption fluorescence

NASA Astrophysics Data System (ADS)

Dvořák, P.; Talába, M.; Obrusník, A.; Kratzer, J.; Dědina, J.

2017-08-01

Two-photon absorption laser-induced fluorescence (TALIF) was utilized for measuring the concentration of atomic hydrogen in a volume dielectric barrier discharge (DBD) ignited in mixtures of Ar, H2 and O2 at atmospheric pressure. The method was calibrated by TALIF of krypton diluted in argon at atmospheric pressure, proving that three-body collisions had a negligible effect on quenching of excited krypton atoms. The diagnostic study was complemented with a 3D numerical model of the gas flow and a zero-dimensional model of the chemistry in order to better understand the reaction kinetics and identify the key pathways leading to the production and destruction of atomic hydrogen. It was determined that the density of atomic hydrogen in Ar-H2 mixtures was in the order of 1021 m-3 and decreased when oxygen was added into the gas mixture. Spatially resolved measurements and simulations revealed a sharply bordered region with low atomic hydrogen concentration when oxygen was added to the gas mixture. At substoichiometric oxygen/hydrogen ratios, this H-poor region is confined to an area close to the gas inlet and it is shown that the size of this region is not only influenced by the chemistry but also by the gas flow patterns. Experimentally, it was observed that a decrease in H2 concentration in the feeding Ar-H2 mixture led to an increase in H production in the DBD.

Investigation of iron oxide reduction by TEM

NASA Astrophysics Data System (ADS)

Rau, Mann-Fu; Rieck, David; Evans, James W.

1987-03-01

An “environmental cell” located in a high voltage transmission electron microscope has been used to study the reduction of single crystal iron oxides by hydrogen and hydrogen-argon mixtures. The cell enables a direct observation of the solid during reaction, thus permitting the nucleation and growth of solid reaction products to be observed. Hematite was reduced at temperatures in the range 387 to 610°C with gas pressures up to 5.3 kP. Reduction with pure hydrogen was considerably faster than when argon was present. Lath magnetite which rapidly transforms to porous magnetite and thence (more slowly) to porous iron was observed. The reduction of magnetite and of wustite single crystals was observed in the temperature range 300 to 514°C using both hydrogen and hydrogen-argon mixtures at gas pressures up to 6.6 kP. Incubation periods were found for magnetite reduction; during these periods faceted pits formed in the oxide. Iron formed in the early stages was epitaxial with the host magnetite; at later stages the epitaxy was lost and fissures frequently formed in the metal. The morphology of the iron differed between the gas mixtures. Disproportionation accompanied the reduction of wustite, producing intermediate polycrystalline magnetite despite reducing conditions. The disproportionation appeared to be promoted by the reduction reaction. For both oxides, reduction in the hydrogen-argon mixture was slower than in pure hydrogen.

Storage of H.sub.2 by absorption and/or mixture within a fluid medium

DOEpatents

Berry, Gene David; Aceves, Salvador Martin

2007-03-20

For the first time, a hydrogen storage method, apparatus and system having a fluid mixture is provided. At predetermined pressures and/or temperatures within a contained substantially fixed volume, the fluid mixture can store a high density of hydrogen molecules, wherein a predetermined phase of the fluid mixture is capable of being withdrawn from the substantially fixed volume for use as a vehicle fuel or energy storage having reduced and/or eliminated evaporative losses, especially where storage weight, vessel cost, vessel shape, safety, and energy efficiency are beneficial.

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

NASA Technical Reports Server (NTRS)

Gales, C.; Perroud, P.

1981-01-01

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

Thermodynamic Calculations of Hydrogen-Oxygen Detonation Parameters for Various Initial Pressures

NASA Technical Reports Server (NTRS)

Bollinger, Loren E.; Edse, Rudolph

1961-01-01

Composition, temperature, pressure and density behind a stable detonation wave and its propagation rate have been calculated for seven hydrogen-oxygen mixture at 1, 5, 25 and 100 atm initial pressure, and at an initial temperature of 40C. For stoichiometric mixtures that calculations also include an initial temperature of 200C. According to these calculations the detonation velocities of hydrogen-oxygen mixtures increase with increasing initial pressure, but decrease slightly when the initial temperature is raised from 40 to 200 C. The calculated detonation velocities agree satisfactorily with values determined experimentally. These values will be published in the near future.

Metal/ceramic composites with high hydrogen permeability

DOEpatents

Dorris, Stephen E.; Lee, Tae H.; Balachandran, Uthamalingam

2003-05-27

A membrane for separating hydrogen from fluids is provided comprising a sintered homogenous mixture of a ceramic composition and a metal. The metal may be palladium, niobium, tantalum, vanadium, or zirconium or a binary mixture of palladium with another metal such as niobium, silver, tantalum, vanadium, or zirconium.

METHOD OF SEPARATING HYDROGEN ISOTOPES

DOEpatents

Salmon, O.N.

1958-12-01

The process of separating a gaseous mixture of hydrogen and tritium by contacting finely dlvided palladium with the mixture in order to adsorb the gases, then gradually heating the palladium and collecting the evolved fractlons, is described. The fraction first given off is richer in trltium than later fractions.

Low-cost process for hydrogen production

DOEpatents

Cha, Chang Y.; Bauer, Hans F.; Grimes, Robert W.

1993-01-01

A method is provided for producing hydrogen and carbon black from hydrocarbon gases comprising mixing the hydrocarbon gases with a source of carbon and applying radiofrequency energy to the mixture. The hydrocarbon gases and the carbon can both be the products of gasification of coal, particularly the mild gasification of coal. A method is also provided for producing hydrogen an carbon monoxide by treating a mixture of hydrocarbon gases and steam with radio-frequency energy.

Low-cost process for hydrogen production

DOEpatents

Cha, C.H.; Bauer, H.F.; Grimes, R.W.

1993-03-30

A method is provided for producing hydrogen and carbon black from hydrocarbon gases comprising mixing the hydrocarbon gases with a source of carbon and applying radiofrequency energy to the mixture. The hydrocarbon gases and the carbon can both be the products of gasification of coal, particularly the mild gasification of coal. A method is also provided for producing hydrogen and carbon monoxide by treating a mixture of hydrocarbon gases and steam with radio-frequency energy.

Hydrogen gettering packing material, and process for making same

DOEpatents

LeMay, James D.; Thompson, Lisa M.; Smith, Henry Michael; Schicker, James R.

2001-01-01

A hydrogen gettering system for a sealed container is disclosed comprising packing material for use within the sealed container, and a coating film containing hydrogen gettering material on at least a portion of the surface of such packing material. The coating film containing the hydrogen gettering material comprises a mixture of one or more organic materials capable of reacting with hydrogen and one or more catalysts capable of catalyzing the reaction of hydrogen with such one or more organic materials. The mixture of one or more organic materials capable of reacting with hydrogen and the one or more catalysts is dispersed in a suitable carrier which preferably is a curable film-forming material. In a preferred embodiment, the packing material comprises a foam material which is compatible with the coating film containing hydrogen gettering material thereon.

Onboard hydrogen generation for automobiles

NASA Technical Reports Server (NTRS)

Houseman, J.; Cerini, D. J.

1976-01-01

Problems concerning the use of hydrogen as a fuel for motor vehicles are related to the storage of the hydrogen onboard a vehicle. The feasibility is investigated to use an approach based on onboard hydrogen generation as a means to avoid these storage difficulties. Two major chemical processes can be used to produce hydrogen from liquid hydrocarbons and methanol. In steam reforming, the fuel reacts with water on a catalytic surface to produce a mixture of hydrogen and carbon monoxide. In partial oxidation, the fuel reacts with air, either on a catalytic surface or in a flame front, to yield a mixture of hydrogen and carbon monoxide. There are many trade-offs in onboard hydrogen generation, both in the choice of fuels as well as in the choice of a chemical process. Attention is given to these alternatives, the results of some experimental work in this area, and the combustion of various hydrogen-rich gases in an internal combustion engine.

21 CFR 184.1555 - Rapeseed oil.

Code of Federal Regulations, 2010 CFR

2010-04-01

... hydrogenated rapeseed oil is a mixture of triglycerides in which the fatty acid composition is a mixture of saturated fatty acids. The fatty acids are present in the same porportions which result from the full hydrogenation of fatty acids occurring in natural rapeseed oil. The rapeseed oil is obtained from the napus and...

Influence of excited state spatial distributions on plasma diagnostics: Atmospheric pressure laser-induced He-H2 plasma

NASA Astrophysics Data System (ADS)

Monfared, Shabnam K.; Hüwel, Lutz

2012-10-01

Atmospheric pressure plasmas in helium-hydrogen mixtures with H2 molar concentrations ranging from 0.13% to 19.7% were investigated at times from 1 to 25 μs after formation by a Q-switched Nd:YAG laser. Spatially integrated electron density values are obtained using time resolved optical emission spectroscopic techniques. Depending on mixture concentration and delay time, electron densities vary from almost 1017 cm-3 to about 1014 cm-3. Helium based results agree reasonably well with each other, as do values extracted from the Hα and Hβ emission lines. However, in particular for delays up to about 7 μs and in mixtures with less than 1% hydrogen, large discrepancies are observed between results obtained from the two species. Differences decrease with increasing hydrogen partial pressure and/or increasing delay time. In mixtures with molecular hydrogen fraction of 7% or more, all methods yield electron densities that are in good agreement. These findings seemingly contradict the well-established idea that addition of small amounts of hydrogen for diagnostic purposes does not perturb the plasma. Using Abel inversion analysis of the experimental data and a semi-empirical numerical model, we demonstrate that the major part of the detected discrepancies can be traced to differences in the spatial distributions of excited helium and hydrogen neutrals. The model yields spatially resolved emission intensities and electron density profiles that are in qualitative agreement with experiment. For the test case of a 1% H2 mixture at 5 μs delay, our model suggests that high electron temperatures cause an elevated degree of ionization and thus a reduction of excited hydrogen concentration relative to that of helium near the plasma center. As a result, spatially integrated analysis of hydrogen emission lines leads to oversampling of the plasma perimeter and thus to lower electron density values compared to those obtained from helium lines.

Energy-transfer processes in neon-hydrogen mixtures excited by electron beams

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

Morozov, A.; Kruecken, R.; Ulrich, A.

2005-12-15

Energy- and charge-transfer processes in neon-hydrogen mixtures (500-1400 hPa neon and 0.001-3 hPa hydrogen partial pressures) excited by a pulsed low-energy ({approx}10 keV) electron beam were investigated using time-resolved spectroscopy. Time spectra of the hydrogen Lyman-{alpha} line, neon excimer emission (second continuum), and neon atomic lines (3p-3s transitions) were recorded. The time-integrated intensity of the Lyman-{alpha} emission was measured for the same range of gas mixtures. It is shown that direct energy transfer from Ne{sub 2}* excimers and neon atoms in the four lowest excited states as well as recombination of H{sub 3}{sup +} ions are the main channels populatingmore » atomic hydrogen in the n=2 state. A rate constant of (4.2{+-}1.4)x10{sup -11} cm{sup 3} s{sup -1} was obtained for the charge transfer from Ne{sub 2}{sup +} ions to molecular hydrogen. A lower limit for the depopulation rate constant of Ne{sub 2}* excimers by molecular hydrogen (combination of energy transfer and ionization) was found to be 1.0x10{sup -10} cm{sup 3} s{sup -1}.« less

MISCIBILITY CALCULATIONS FOR WATER AND HYDROGEN IN GIANT PLANETS

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

Soubiran, François; Militzer, Burkhard

2015-06-20

We present results from ab initio simulations of liquid water–hydrogen mixtures in the range from 2 to 70 GPa and from 1000 to 6000 K, covering conditions in the interiors of ice giant planets and parts of the outer envelope of gas giant planets. In addition to computing the pressure and the internal energy, we derive the Gibbs free energy by performing a thermodynamic integration. For all conditions under consideration, our simulations predict hydrogen and water to mix in all proportions. The thermodynamic behavior of the mixture can be well described with an ideal mixing approximation. We suggest that amore » substantial fraction of water and hydrogen in giant planets may occur in homogeneously mixed form rather than in separate layers. The extent of mixing depends on the planet’s interior dynamics and its conditions of formation, in particular on how much hydrogen was present when icy planetesimals were delivered. Based on our results, we do not predict water–hydrogen mixtures to phase separate during any stage of the evolution of giant planets. We also show that the hydrogen content of an exoplanet is much higher if the mixed interior is assumed.« less

Hydrogen isotope separation utilizing bulk getters

DOEpatents

Knize, R.J.; Cecchi, J.L.

1991-08-20

Tritium and deuterium are separated from a gaseous mixture thereof, derived from a nuclear fusion reactor or some other source, by providing a casing with a bulk getter therein for absorbing the gaseous mixture to produce an initial loading of the getter, partially desorbing the getter to produce a desorbed mixture which is tritium-enriched, pumping the desorbed mixture into a separate container, the remaining gaseous loading in the getter being deuterium-enriched, desorbing the getter to a substantially greater extent to produce a deuterium-enriched gaseous mixture, and removing the deuterium-enriched mixture into another container. The bulk getter may comprise a zirconium-aluminum alloy, or a zirconium-vanadium-iron alloy. The partial desorption may reduce the loading by approximately fifty percent. The basic procedure may be extended to produce a multistage isotope separator, including at least one additional bulk getter into which the tritium-enriched mixture is absorbed. The second getter is then partially desorbed to produce a desorbed mixture which is further tritium-enriched. The last-mentioned mixture is then removed from the container for the second getter, which is then desorbed to a substantially greater extent to produce a desorbed mixture which is deuterium-enriched. The last-mentioned mixture is then removed so that the cycle can be continued and repeated. The method of isotope separation is also applicable to other hydrogen isotopes, in that the method can be employed for separating either deuterium or tritium from normal hydrogen. 4 figures.

Hydrogen isotope separation utilizing bulk getters

DOEpatents

Knize, Randall J.; Cecchi, Joseph L.

1991-01-01

Tritium and deuterium are separated from a gaseous mixture thereof, derived from a nuclear fusion reactor or some other source, by providing a casing with a bulk getter therein for absorbing the gaseous mixture to produce an initial loading of the getter, partially desorbing the getter to produce a desorbed mixture which is tritium-enriched, pumping the desorbed mixture into a separate container, the remaining gaseous loading in the getter being deuterium-enriched, desorbing the getter to a substantially greater extent to produce a deuterium-enriched gaseous mixture, and removing the deuterium-enriched mixture into another container. The bulk getter may comprise a zirconium-aluminum alloy, or a zirconium-vanadium-iron alloy. The partial desorption may reduce the loading by approximately fifty percent. The basic procedure may be extended to produce a multistage isotope separator, including at least one additional bulk getter into which the tritium-enriched mixture is absorbed. The second getter is then partially desorbed to produce a desorbed mixture which is further tritium-enriched. The last-mentioned mixture is then removed from the container for the second getter, which is then desorbed to a substantially greater extent to produce a desorbed mixture which is deuterium-enriched. The last-mentioned mixture is then removed so that the cycle can be continued and repeated. The method of isotope separation is also applicable to other hydrogen isotopes, in that the method can be employed for separating either deuterium or tritium from normal hydrogen.

Hydrogen isotope separation utilizing bulk getters

DOEpatents

Knize, Randall J.; Cecchi, Joseph L.

1990-01-01

Tritium and deuterium are separated from a gaseous mixture thereof, derived from a nuclear fusion reactor or some other source, by providing a casing with a bulk getter therein for absorbing the gaseous mixture to produce an initial loading of the getter, partially desorbing the getter to produce a desorbed mixture which is tritium-enriched, pumping the desorbed mixture into a separate container, the remaining gaseous loading in the getter being deuterium-enriched, desorbing the getter to a substantially greater extent to produce a deuterium-enriched gaseous mixture, and removing the deuterium-enriched mixture into another container. The bulk getter may comprise a zirconium-aluminum alloy, or a zirconium-vanadium-iron alloy. The partial desorption may reduce the loading by approximately fifty percent. The basic procedure may be extended to produce a multistage isotope separator, including at least one additional bulk getter into which the tritium-enriched mixture is absorbed. The second getter is then partially desorbed to produce a desorbed mixture which is further tritium-enriched. The last-mentioned mixture is then removed from the container for the second getter, which is then desorbed to a substantially greater extent to produce a desorbed mixture which is deuterium-enriched. The last-mentioned mixture is then removed so that the cycle can be continued and repeated. The method of isotope separation is also applicable to other hydrogen isotopes, in that the method can be employed for separating either deuterium or tritium from normal hydrogen.

Solubility of hydrogen sulfide in aqueous mixtures of monoethanolamine with N-methyldiethanolamine

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

Meng Hui Li; Keh Perng Shen

1993-01-01

Alkanolamine aqueous solutions are frequently used for the removal of acidic gases, such as CO[sub 2] and H[sub 2]S, from gas streams in the natural gas and synthetic ammonia industries and petroleum chemical plants. The solubilities of hydrogen sulfide in aqueous mixtures of monoethanolamine (MEA) with N-methyl-diethanolamine (MDEA) have been measured at 40, 60, 80, and 100C and at partial pressures of hydrogen sulfide ranging from 1.0 to 450 kPa. The mixtures of alkanolamines studied are 4.95 kmol/m[sup 3] MEA, 3.97 kmol/m[sup 3] MEA + 0.51 kmol/m[sup 3] MDEA, 2.0 kmol/m[sup 3] MEA + 1.54 kmol/m[sup 3] MDEA, and 2.57more » kmol/m[sup 3] MDEA aqueous solutions. The solubilities of hydrogen sulfide in aqueous alkanolamine solutions are reported as functions of the partial pressure of hydrogen sulfide at the temperatures of 40-100C.« less

Effect of Mixture Pressure and Equivalence Ratio on Detonation Cell Size for Hydrogen-Air Mixtures

DTIC Science & Technology

2015-06-01

National Labs ( BNL ) built and tested several detonation tubes with hydrogen and air detonations. BNL’s main detonation tubes were called the High...K and the ability to change to mixture pressure from one atmosphere to just less than three atmospheres. Before BNL designed their detonation tubes...gas driver initiation system was that the diaphragm had to be replaced after each test. In order to save time from replacing the diaphragms, BNL

Hydrogen generation from Al-NiCl2/NaBH4 mixture affected by lanthanum metal.

PubMed

Sun, Wen Qiang; Fan, Mei-Qiang; Fei, Yong; Pan, Hua; Wang, Liang Liang; Yao, Jun

2012-01-01

The effect of La on Al/NaBH(4) hydrolysis was elaborated in the present paper. Hydrogen generation amount increases but hydrogen generation rate decreases with La content increasing. There is an optimized composition that Al-15 wt% La-5 wt% NiCl(2)/NaBH(4) mixture (Al-15 wt% La-5 wt% NiCl(2)/NaBH(4) weight ratio, 1 : 3) has 126 mL g(-1 )min(-1) maximum hydrogen generation rate and 1764 mL g(-1) hydrogen generation amount within 60 min. The efficiency is 88%. Combined with NiCl(2), La has great effect on NaBH(4) hydrolysis but has little effect on Al hydrolysis. Increasing La content is helpful to decrease the particle size of Al-La-NiCl(2) in the milling process, which induces that the hydrolysis byproduct Ni(2)B is highly distributed into Al(OH)(3) and the catalytic reactivity of Ni(2)B/Al(OH)(3) is increased therefore. But hydrolysis byproduct La(OH)(3) deposits on Al surface and leads to some side effect. The Al-La-NiCl(2)/NaBH(4) mixture has good stability in low temperature and its hydrolytic performance can be improved with increasing global temperature. Therefore, the mixture has good safety and can be applied as on board hydrogen generation material.

Cooling by Para-to-Ortho-Hydrogen Conversion

NASA Technical Reports Server (NTRS)

Sherman, A.; Nast, T.

1983-01-01

Catalyst speeds conversion, increasing capacity of solid hydrogen cooling system. In radial-flow catalytic converter, para-hydrogen is converted to equilibrium mixture of para-hydrogen and ortho-hydrogen as it passes through porous cylinder of catalyst. Addition of catalyst increases capacity of hydrogen sublimation cooling systems for radiation detectors.

Hydrogen-Helium shock Radiation tests for Saturn Entry Probes

NASA Technical Reports Server (NTRS)

Cruden, Brett A.

2016-01-01

This paper describes the measurement of shock layer radiation in Hydrogen/Helium mixtures representative of that encountered by probes entering the Saturn atmosphere. Normal shock waves are measured in Hydrogen-Helium mixtures (89:11% by volume) at freestream pressures between 13-66 Pa (0.1-0.5 Torr) and velocities from 20-30 km/s. Radiance is quantified from the Vacuum Ultraviolet through Near Infrared. An induction time of several centimeters is observed where electron density and radiance remain well below equilibrium. Radiance is observed in front of the shock layer, the characteristics of which match the expected diffusion length of Hydrogen.

Organic chemistry in the atmosphere. [laboratory modeling of Titan atmosphere

NASA Technical Reports Server (NTRS)

Sagan, C.

1974-01-01

The existence of an at least moderately complex organic chemistry on Titan is stipulated based on clear evidence of methane, and at least presumptive evidence of hydrogen in its atmosphere. The ratio of methane to hydrogen is the highest of any atmosphere in the solar system. Irradiation of hydrogen/methane mixtures produces aromatic and aliphatic hydrocarbons. A very reasonable hypothesis assumes that the red cloud cover of Titan is made of organic chemicals. Two-carbon hydrocarbons experimentally produced from irradiated mixtures of methane, ammonia, water, and hydrogen bear out the possible organic chemistry of the Titanian environment.

21 CFR 184.1555 - Rapeseed oil.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Rapeseed oil. 184.1555 Section 184.1555 Food and... Substances Affirmed as GRAS § 184.1555 Rapeseed oil. (a) Fully hydrogenated rapeseed oil. (1) Fully hydrogenated rapeseed oil is a mixture of triglycerides in which the fatty acid composition is a mixture of...

21 CFR 184.1555 - Rapeseed oil.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Rapeseed oil. 184.1555 Section 184.1555 Food and... Substances Affirmed as GRAS § 184.1555 Rapeseed oil. (a) Fully hydrogenated rapeseed oil. (1) Fully hydrogenated rapeseed oil is a mixture of triglycerides in which the fatty acid composition is a mixture of...

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

DOEpatents

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

2010-04-13

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

Optical and Raman microspectroscopy of nitrogen and hydrogen mixtures at high pressures

NASA Astrophysics Data System (ADS)

Ciezak, Jennifer; Jenkins, T.; Hemley, R.

2009-06-01

Extended phases of molecular solids formed from simple molecules have led to polymeric materials under extreme conditions with advanced optical, mechanical and energetic properties. Although the existence of extended phases has been demonstrated in N2, CO and CO2, recovery of the materials to ambient conditions has posed considerable difficulty. Recent molecular dynamics simulations have predicted that the addition of hydrogen to nitrogen may increase the stability of the cubic-gauche nitrogen polymer and thereby offer the possibility of synthesis at lower pressures and temperatures. Here we present optical and Raman microspectroscopy measurements performed on nitrogen and hydrogen mixtures to 85 GPa. To pressures of 30 GPa, large deviations in the internal molecular stretching modes of the mixtures relative to those of the pure material reveal unusual phase behavior. After an unusual phase separation near 35 GPa, a phase assemblage of consisting of a phase rich in both nitrogen and hydrogen, a phase of relatively amorphous nitrogen and a mixture of the two is observed. Near this pressure, Raman bands attributed to the N-N single bonded stretch were observed.

Apparatus and process for separating hydrogen isotopes

DOEpatents

Heung, Leung K; Sessions, Henry T; Xiao, Xin

2013-06-25

The apparatus and process for separating hydrogen isotopes is provided using dual columns, each column having an opposite hydrogen isotopic effect such that when a hydrogen isotope mixture feedstock is cycled between the two respective columns, two different hydrogen isotopes are separated from the feedstock.

Laser-heated thruster

NASA Technical Reports Server (NTRS)

Kemp, N. H.; Lewis, P. F.

1980-01-01

The development of a computer program for the design of the thrust chamber for a CW laser heated thruster was examined. Hydrodgen was employed as the propellant gas and high temperature absorber. The laser absorption coefficient of the mixture/laser radiation combination is given in temperature and species densities. Radiative and absorptive properties are given to determine radiation from such gas mixtures. A computer code for calculating the axisymmetric channel flow of a gas mixture in chemical equilibrium, and laser energy absorption and convective and radiative heating is described. It is concluded that: (1) small amounts of cesium seed substantially increase the absorption coefficient of hydrogen; (2) cesium is a strong radiator and contributes greatly to radiation of cesium seeded hydrogen; (3) water vapor is a poor absorber; and (4) for 5.3mcm radiation, both H2O/CO and NO/CO seeded hydrogen mixtures are good absorbers.

High capacity hydrogen storage nanocomposite materials

DOEpatents

Zidan, Ragaiy; Wellons, Matthew S.

2017-12-12

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

High capacity hydrogen storage nanocomposite materials

DOEpatents

Zidan, Ragaiy; Wellons, Matthew S

2015-02-03

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

Catalytic igniters and their use to ignite lean hydrogen-air mixtures

DOEpatents

McLean, William J.; Thorne, Lawrence R.; Volponi, Joanne V.

1988-01-01

A catalytic igniter which can ignite a hydrogen-air mixture as lean as 5.5% hydrogen with induction times ranging from 20 s to 400 s, under conditions which may be present during a loss-of-liquid-coolant accident at a light water nuclear reactor comprises (a) a perforate catalytically active substrate, such as a platinum coated ceramic honeycomb or wire mesh screen, through which heated gases produced by oxidation of the mixture can freely flow and (b) a plurality of thin platinum wires mounted in a thermally conductive manner on the substrate and positioned thereon so as to be able to receive heat from the substrate and the heated gases while also in contact with unoxidized gases.

Optimization of air plasma reconversion of UF6 to UO2 based on thermodynamic calculations

NASA Astrophysics Data System (ADS)

Tundeshev, Nikolay; Karengin, Alexander; Shamanin, Igor

2018-03-01

The possibility of plasma-chemical conversion of depleted uranium-235 hexafluoride (DUHF) in air plasma in the form of gas-air mixtures with hydrogen is considered in the paper. Calculation of burning parameters of gas-air mixtures is carried out and the compositions of mixtures obtained via energy-efficient conversion of DUHF in air plasma are determined. With the help of plasma-chemical conversion, thermodynamic modeling optimal composition of UF6-H2-Air mixtures and its burning parameters, the modes for production of uranium dioxide in the condensed phase are determined. The results of the conducted researches can be used for creation of technology for plasma-chemical conversion of DUHF in the form of air-gas mixtures with hydrogen.

Deflagration-to-detonation transition in spiral channels

NASA Astrophysics Data System (ADS)

Golovastov, S. V.; Mikushkin, A. Yu.; Golub, V. V.

2017-10-01

The deflagration-to-detonation transition in hydrogen-air mixtures that fill spiral channels has been studied. A spiral channel has been produced in a cylindrical detonation tube with a twisted ribbon inside. The gas mixture has been ignited by means of a spark gap switch. The predetonation distance versus the twisted ribbon configuration and molar ratio between the gas mixture components has been determined. A pulling force exerted by the detonation tube after a single event of hydrogen-air mixture burnout has been found for four configurations of the twisted ribbon. Conditions under which the use of a spiral tube can be more effective (increase the pulling force) have been formulated.

Steady-state shock-driven reactions in mixtures of nano-sized aluminum and dilute hydrogen peroxide

DOE PAGES

Schmitt, Matthew Mark; Bowden, Patrick Robert; Tappan, Bryce C.; ...

2017-09-21

Mixtures of nanoaluminum (nAl) and dilute hydrogen peroxide (HP) were studied to determine their potential to detonate when subjected to explosive shock. Results of explosively driven rate stick experiments revealed steady shock propagation for stoichiometric mixtures of nAl and 10 wt% HP. The critical diameter of this composition is estimated to be between 27.7 and 34.5 mm. Detonation velocities between 3.034 and 3.187 mm/μs were obtained, varying with charge diameter and density. Furthermore this represents the first measured shock-driven, self-sustained reaction in nAl and dilute HP mixtures.

The use of gaseous fuels mixtures for SI engines propulsion

NASA Astrophysics Data System (ADS)

Flekiewicz, M.; Kubica, G.

2016-09-01

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

Decomposition of silane on tungsten or other materials

DOEpatents

Wiesmann, H.J.

This invention relates to hydrogenated amorphous silicon produced by thermally decomposing silane (SiH/sub 4/) or other gases comprising H and Si, from a W or foil heated to a temperature of about 1400 to 1600/sup 0/C, in a vacuum of about 10-/sup 6/ to 10-/sup 4/ torr. A gaseous mixture is formed of atomic hydrogen and atomic silicon. The gaseous mixture is deposited onto a substrate independent of and outside the source of thermal decomposition. Hydrogenated amorphous silicon is formed. The presence of an ammonia atmosphere in the vacuum chamber enhances the photoconductivity of the hydrogenated amorphous silicon film.

Hydrogen Generation from Al-NiCl2/NaBH4 Mixture Affected by Lanthanum Metal

PubMed Central

Qiang Sun, Wen; Fan, Mei-Qiang; Fei, Yong; Pan, Hua; Wang, Liang Liang; Yao, Jun

2012-01-01

The effect of La on Al/NaBH4 hydrolysis was elaborated in the present paper. Hydrogen generation amount increases but hydrogen generation rate decreases with La content increasing. There is an optimized composition that Al-15 wt% La-5 wt% NiCl2/NaBH4 mixture (Al-15 wt% La-5 wt% NiCl2/NaBH4 weight ratio, 1 : 3) has 126 mL g−1 min−1 maximum hydrogen generation rate and 1764 mL g−1 hydrogen generation amount within 60 min. The efficiency is 88%. Combined with NiCl2, La has great effect on NaBH4 hydrolysis but has little effect on Al hydrolysis. Increasing La content is helpful to decrease the particle size of Al-La-NiCl2 in the milling process, which induces that the hydrolysis byproduct Ni2B is highly distributed into Al(OH)3 and the catalytic reactivity of Ni2B/Al(OH)3 is increased therefore. But hydrolysis byproduct La(OH)3 deposits on Al surface and leads to some side effect. The Al-La-NiCl2/NaBH4 mixture has good stability in low temperature and its hydrolytic performance can be improved with increasing global temperature. Therefore, the mixture has good safety and can be applied as on board hydrogen generation material. PMID:22619596

The influence of Kr, CO2, and iso-C4H8 admixtures on the time of the formation of a stable flame front in mixtures of natural gas and isobutylene with oxygen and hydrogen with air under initiation with a spark discharge

NASA Astrophysics Data System (ADS)

Rubtsov, N. M.; Seplyarskii, B. S.; Chernysh, V. I.; Tsvetkov, G. I.

2010-05-01

High-speed color filming was used to study laminar spherical flame propagation at the initial stage in preliminarily mixed stoichiometric mixtures of natural gas and isobutylene with oxygen containing krypton and carbon dioxide and in hydrogen-air mixtures at atmospheric pressure in a bomb with a constant volume. Under experimental conditions ( T 0 = 298 K, p 0 = 100 torr, spark discharge energy E 0 = 0.91 J), the dilution of mixtures with Kr and CO2 increased the time of formation of a stable flame front by more than 10 times. The introduction of a small chemically active admixture (1.2% isobutylene) into a stoichiometric mixture of hydrogen and air sharply increased the time of formation of a stable flame front, which was evidence of an important role played by the chemical mechanism of the reaction in the formation of the combustion field.

Influence of dissolved gases and heat treatments on the oxidative degradation of polyunsaturated fatty acids enriched dairy beverage.

PubMed

Giroux, Hélène J; Acteau, Geneviève; Sabik, Hassan; Britten, Michel

2008-07-23

The combined effect of dissolved gas composition and heat treatment on the oxidative degradation of a dairy beverage enriched with 2% linseed oil was studied. The dairy beverage was saturated with air, nitrogen, or a nitrogen/hydrogen mixture (4% hydrogen) before pasteurization or sterilization. Saturation with either nitrogen or a nitrogen/hydrogen mixture decreased the dissolved oxygen concentration in dairy beverages (Delta = 7.7 ppm), and the presence of hydrogen significantly reduced the redox potential (Delta = 287 mV). Heat treatments also reduced the oxygen content and redox potential, sterilization being more effective than pasteurization. Both pasteurization and sterilization induced the oxidative degradation of the beverages. On average, the propanal concentration increased by a factor of 2.3 after pasteurization and by a factor of 6.2 after sterilization. However, during storage, sterilized beverages resisted light-induced oxidation better than unheated or pasteurized beverages. Furthermore, saturation with nitrogen or a nitrogen/hydrogen mixture significantly reduced oxidative degradation and provided some protection against color changes during storage.

Investigation of hydrate formation in the system H2-CH4-H2O at a pressure up to 250 MPa.

PubMed

Skiba, Sergei S; Larionov, Eduard G; Manakov, Andrey Y; Kolesov, Boris A; Kosyakov, Viktor I

2007-09-27

Phase equilibria in the system H2-CH4-H2O are investigated by means of differential thermal analysis within hydrogen concentration range 0-70 mol % and at a pressure up to 250 MPa. All the experiments were carried out under the conditions of gas excess. With an increase in hydrogen concentration in the initial gas mixture, decomposition temperature of the formed hydrates decreased. X-ray diffraction patterns and Raman spectra of the quenched hydrate samples obtained at a pressure of 20 MPA from a gas mixture containing 40 mol % hydrogen were recorded. It turned out that the hydrate has cubic structure I under these conditions. The Raman spectra showed that hydrogen molecules are not detected in the hydrate within the sensitivity of the method, that is, almost pure methane hydrate is formed. The general view of the phase diagram of the investigated system is proposed. A thermodynamic model was proposed to explain a decrease in hydrate decomposition temperature in the system with an increase in the concentration of hydrogen in the initial mixture.

Turbulent Burning Velocities of Two-Component Fuel Mixtures of Methane, Propane and Hydrogen

NASA Astrophysics Data System (ADS)

Kido, Hiroyuki; Nakahara, Masaya; Hashimoto, Jun; Barat, Dilmurat

In order to clarify the turbulent burning velocity of multi-component fuel mixtures, both lean and rich two-component fuel mixtures, in which methane, propane and hydrogen were used as fuels, were prepared while maintaining the laminar burning velocity approximately constant. A distinct difference in the measured turbulent burning velocity at the same turbulence intensity is observed for two-component fuel mixtures having different addition rates of fuel, even the laminar burning velocities are approximately the same. The burning velocities of lean mixtures change almost constantly as the rate of addition changes, whereas the burning velocities of the rich mixtures show no such tendency. This trend can be explained qualitatively based on the mean local burning velocity, which is estimated by taking into account the preferential diffusion effect for each fuel component. In addition, a model of turbulent burning velocity proposed for single-component fuel mixtures may be applied to two-component fuel mixtures by considering the estimated mean local burning velocity of each fuel.

Detonation Diffraction in a Multi-Step Channel

DTIC Science & Technology

2010-12-01

openings. This allowed the detonation wave diffraction transmission limits to be determined for hydrogen/air mixtures and to better understand...imaging systems to provide shock wave detail and velocity information. The images were observed through a newly designed explosive proof optical section...stepped openings. This allowed the detonation wave diffraction transmission limits to be determined for hydrogen/air mixtures and to better

Hydrogen bonding donation of N-methylformamide with dimethylsulfoxide and water

NASA Astrophysics Data System (ADS)

Borges, Alexandre; Cordeiro, João M. M.

2013-04-01

20% N-methylformamide (NMF) mixtures with water and with dimethylsulfoxide (DMSO) have been studied. A comparison between the hydrogen bonding (H-bond) donation of N-methylformamide with both solvents in the mixtures is presented. Results of radial distribution functions, pair distribution energies, molecular dipole moment correlation, and geometry of the H-bonded species in each case are shown. The results indicate that the NMF - solvent H-bond is significantly stronger with DMSO than with water. The solvation shell is best organized in the DMSO mixture than in the aqueous one.

Hydrogen Separation by Natural Zeolite Composite Membranes: Single and Multicomponent Gas Transport.

PubMed

Farjoo, Afrooz; Kuznicki, Steve M; Sadrzadeh, Mohtada

2017-10-06

Single and multicomponent gas permeation tests were used to evaluate the performance of metal-supported clinoptilolite membranes. The efficiency of hydrogen separation from lower hydrocarbons (methane, ethane, and ethylene) was studied within the temperature and pressure ranges of 25-600 °C and 110-160 kPa, respectively. The hydrogen separation factor was found to reduce noticeably in the gas mixture compared with single gas experiments at 25 °C. The difference between the single and multicomponent gas results decreased as the temperature increased to higher than 300 °C, which is when the competitive adsorption-diffusion mechanism was replaced by Knudsen diffusion or activated diffusion mechanisms. To evaluate the effect of gas adsorption, the zeolite surface isotherms of each gas in the mixture were obtained from 25 °C to 600 °C. The results indicated negligible adsorption of individual gases at temperatures higher than 300 °C. Increasing the feed pressure resulted in a higher separation efficiency for the individual gases compared with the multicomponent mixture, due to the governing effect of the adsorptive mechanism. This study provides valuable insight into the application of natural zeolites for the separation of hydrogen from a mixture of hydrocarbons.

Hydrogen Separation by Natural Zeolite Composite Membranes: Single and Multicomponent Gas Transport

PubMed Central

Farjoo, Afrooz; Kuznicki, Steve M.

2017-01-01

Single and multicomponent gas permeation tests were used to evaluate the performance of metal-supported clinoptilolite membranes. The efficiency of hydrogen separation from lower hydrocarbons (methane, ethane, and ethylene) was studied within the temperature and pressure ranges of 25–600 °C and 110–160 kPa, respectively. The hydrogen separation factor was found to reduce noticeably in the gas mixture compared with single gas experiments at 25 °C. The difference between the single and multicomponent gas results decreased as the temperature increased to higher than 300 °C, which is when the competitive adsorption–diffusion mechanism was replaced by Knudsen diffusion or activated diffusion mechanisms. To evaluate the effect of gas adsorption, the zeolite surface isotherms of each gas in the mixture were obtained from 25 °C to 600 °C. The results indicated negligible adsorption of individual gases at temperatures higher than 300 °C. Increasing the feed pressure resulted in a higher separation efficiency for the individual gases compared with the multicomponent mixture, due to the governing effect of the adsorptive mechanism. This study provides valuable insight into the application of natural zeolites for the separation of hydrogen from a mixture of hydrocarbons. PMID:28984833

System for operating solid oxide fuel cell generator on diesel fuel

NASA Technical Reports Server (NTRS)

Singh, Prabhu (Inventor); George, Raymond A. (Inventor)

1997-01-01

A system is provided for operating a solid oxide fuel cell generator on diesel fuel. The system includes a hydrodesulfurizer which reduces the sulfur content of commercial and military grade diesel fuel to an acceptable level. Hydrogen which has been previously separated from the process stream is mixed with diesel fuel at low pressure. The diesel/hydrogen mixture is then pressurized and introduced into the hydrodesulfurizer. The hydrodesulfurizer comprises a metal oxide such as ZnO which reacts with hydrogen sulfide in the presence of a metal catalyst to form a metal sulfide and water. After desulfurization, the diesel fuel is reformed and delivered to a hydrogen separator which removes most of the hydrogen from the reformed fuel prior to introduction into a solid oxide fuel cell generator. The separated hydrogen is then selectively delivered to the diesel/hydrogen mixer or to a hydrogen storage unit. The hydrogen storage unit preferably comprises a metal hydride which stores hydrogen in solid form at low pressure. Hydrogen may be discharged from the metal hydride to the diesel/hydrogen mixture at low pressure upon demand, particularly during start-up and shut-down of the system.

High-temperature sorbent method for removal of sulfur-containing gases from gaseous mixtures

DOEpatents

Young, J.E.; Jalan, V.M.

1982-07-07

A copper oxide-zinc oxide mixture is used as a sorbent for removing hydrogen sulfide and other sulfur containing gases at high temperatures from a gaseous fuel mixture. This high-temperature sorbent is especially useful for preparing fuel gases for high temperature fuel cells. The copper oxide is initially reduced in a preconditioning step to elemental copper and is present in a highly dispersed state throughout the zinc oxide which serves as a support as well as adding to the sulfur sorbtion capacity. The spent sorbent is regenerated by high-temperature treatment with an air fuel, air steam mixture followed by hydrogen reduction to remove and recover the sulfur.

Evidence for phase separation of ethanol-water mixtures at the hydrogen terminated nanocrystalline diamond surface.

PubMed

Janssens, Stoffel D; Drijkoningen, Sien; Saitner, Marc; Boyen, Hans-Gerd; Wagner, Patrick; Larsson, Karin; Haenen, Ken

2012-07-28

Interactions between ethanol-water mixtures and a hydrophobic hydrogen terminated nanocrystalline diamond surface, are investigated by sessile drop contact angle measurements. The surface free energy of the hydrophobic surface, obtained with pure liquids, differs strongly from values obtained by ethanol-water mixtures. Here, a model which explains this difference is presented. The model suggests that, due to a higher affinity of ethanol for the hydrophobic surface, when compared to water, a phase separation occurs when a mixture of both liquids is in contact with the H-terminated diamond surface. These results are supported by a computational study giving insight in the affinity and related interaction at the liquid-solid interface.

High-temperature sorbent method for removal of sulfur containing gases from gaseous mixtures

DOEpatents

Young, J.E.; Jalan, V.M.

1984-06-19

A copper oxide-zinc oxide mixture is used as a sorbent for removing hydrogen sulfide and other sulfur containing gases at high temperatures from a gaseous fuel mixture. This high-temperature sorbent is especially useful for preparing fuel gases for high temperature fuel cells. The copper oxide is initially reduced in a preconditioning step to elemental copper and is present in a highly dispersed state throughout the zinc oxide which serves as a support as well as adding to the sulfur sorption capacity. The spent sorbent is regenerated by high-temperature treatment with an air fuel, air steam mixture followed by hydrogen reduction to remove and recover the sulfur.

High-temperature sorbent method for removal of sulfur containing gases from gaseous mixtures

DOEpatents

Young, John E.; Jalan, Vinod M.

1984-01-01

A copper oxide-zinc oxide mixture is used as a sorbent for removing hydrogen sulfide and other sulfur containing gases at high temperatures from a gaseous fuel mixture. This high-temperature sorbent is especially useful for preparing fuel gases for high temperature fuel cells. The copper oxide is initially reduced in a preconditioning step to elemental copper and is present in a highly dispersed state throughout the zinc oxide which serves as a support as well as adding to the sulfur sorption capacity. The spent sorbent is regenerated by high-temperature treatment with an air fuel, air steam mixture followed by hydrogen reduction to remove and recover the sulfur.

Kinetic model of water disinfection using peracetic acid including synergistic effects.

PubMed

Flores, Marina J; Brandi, Rodolfo J; Cassano, Alberto E; Labas, Marisol D

2016-01-01

The disinfection efficiencies of a commercial mixture of peracetic acid against Escherichia coli were studied in laboratory scale experiments. The joint and separate action of two disinfectant agents, hydrogen peroxide and peracetic acid, were evaluated in order to observe synergistic effects. A kinetic model for each component of the mixture and for the commercial mixture was proposed. Through simple mathematical equations, the model describes different stages of attack by disinfectants during the inactivation process. Based on the experiments and the kinetic parameters obtained, it could be established that the efficiency of hydrogen peroxide was much lower than that of peracetic acid alone. However, the contribution of hydrogen peroxide was very important in the commercial mixture. It should be noted that this improvement occurred only after peracetic acid had initiated the attack on the cell. This synergistic effect was successfully explained by the proposed scheme and was verified by experimental results. Besides providing a clearer mechanistic understanding of water disinfection, such models may improve our ability to design reactors.

Tantalum-containing catalyst useful for producing alcohols from synthesis gas

DOEpatents

Kinkade, Nancy E.

1991-01-01

A catalyst useful for selectively converting a mixture of carbon monoxide and hydrogen to a mixture of lower alkanols consisting essentially of a mixture of molybdenum sulfide, an alkali metal compound and a tantalum compound.

Tantalum-containing catalyst useful for producing alcohols from synthesis gas

DOEpatents

Kinkade, Nancy E.

1992-01-01

A catalyst useful for selectively converting a mixture of carbon monoxide and hydrogen to a mixture of lower alkanols consisting essentially of a mixture of molybdenum sulfide, an alkali metal compound and a tantalum compound.

In vitro activation of dibromoacetonitrile to cyanide by myeloperoxidase.

PubMed

Al-Abbasi, Fahad A

2016-08-01

Dibromoacetonitrile (DBAN) is a disinfection by-product classified as a potential human and animal carcinogen. This study aimed at investigating the ability of myeloperoxidase (MPO) to oxidize DBAN to cyanide (CN - ) in vitro Detection of CN - served as a marker for the possible generation of free radical intermediates implicated in DBAN-induced toxicity. Optimum conditions for the oxidation of DBAN to CN - were characterized with respect to pH, temperature, and time of incubation as well as DBAN, MPO, potassium chloride, and hydrogen peroxide (H 2 O 2 ) concentrations in incubation mixtures. Maximum reaction velocity and Michaelis-Menten constant were assessed. Addition of sodium hypochlorite to the reaction mixtures significantly enhanced the rate of the reaction. Addition of the MPO inhibitors, sodium azide, 4-amino benzoic acid hydrazine, or indomethacin to the reaction mixtures significantly decreased the rate of DBAN oxidation. Inclusion of the antioxidant enzyme superoxide dismutase in the incubation mixtures significantly decreased the rate of reaction. Inclusion of the sulfhydryl compounds as reduced glutathione, N-acetylcysteine, d-penicillamine, or l-cysteine enhanced the rate of DBAN oxidation. These results demonstrate the ability of MPO/H 2 O 2 /chloride ion system to oxidize DBAN to CN - and provide insight for the elucidation of DBAN chronic toxicity. © The Author(s) 2015.

Hydrogen-Detection Apparatus

NASA Technical Reports Server (NTRS)

Ross, H. Richard; Bourgeois, Chris M.

1995-01-01

Apparatus continuously monitors concentration of hydrogen, at level ranging from few parts per million to several percent, in mixture of gases. Simple and fast, providing high sensitivity and linear response. Used to alert technicians to potentially explosive concentrations of residual hydrogen.

Coupling Glucose Dehydrogenation with CO2 Hydrogenation by Hydrogen Transfer in Aqueous Media at Room Temperature.

PubMed

Ding, Guodong; Su, Ji; Zhang, Cheng; Tang, Kan; Yang, Lisha; Lin, Hongfei

2018-05-08

Conversion of carbon dioxide into value-added chemicals and fuels provides a direct solution to reduce excessive CO2 in the atmosphere. Herein, a novel catalytic reaction system is presented by coupling the dehydrogenation of glucose with the hydrogenation of a CO2 derived salt, ammonium carbonate, in the ethanol-water mixture. For the first time, the hydrogenation of CO2 into formate by glucose has been achieved under ambient conditions. Under the optimal reaction conditions, the highest yield of formate reached ~ 46 %. We find that the apparent pH value in the ethanol-water mixture plays a central role in determining the performance of the hydrogen transfer reaction. Based on the 13C NMR and ESI-MS results, a possible pathway of the coupled glucose dehydrogenation and CO2 hydrogenation reactions was proposed. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analysis of hydrogen isotope mixtures

DOEpatents

Villa-Aleman, Eliel

1994-01-01

An apparatus and method for determining the concentrations of hydrogen isotopes in a sample. Hydrogen in the sample is separated from other elements using a filter selectively permeable to hydrogen. Then the hydrogen is condensed onto a cold finger or cryopump. The cold finger is rotated as pulsed laser energy vaporizes a portion of the condensed hydrogen, forming a packet of molecular hydrogen. The desorbed hydrogen is ionized and admitted into a mass spectrometer for analysis.

Coal liquefaction process using pretreatment with a binary solvent mixture

DOEpatents

Miller, R.N.

1986-10-14

An improved process for thermal solvent refining or hydroliquefaction of non-anthracitic coal at elevated temperatures under hydrogen pressure in a hydrogen donor solvent comprises pretreating the coal with a binary mixture of an aromatic hydrocarbon and an aliphatic alcohol at a temperature below 300 C before the hydroliquefaction step. This treatment generally increases both conversion of coal and yields of oil. 1 fig.

Efficient and Safe Chemical Gas Generators with Nanocomposite Reactive Materials

DTIC Science & Technology

2015-11-30

ammonia borane has been developed that involves the reaction of mechanically alloyed Al·Mg powder with water as a source of heat for ammonia borane...Edward L. Dreizin, Evgeny Shafirovich. Hydrogen generation from ammonia borane and water through combustion reactions with mechanically alloyed...on combustion of hydrogen-generating mixtures It is known that ammonia borane (AB) forms combustible mixtures with gelled water and nanoscale

Coal liquefaction process using pretreatment with a binary solvent mixture

DOEpatents

Miller, Robert N.

1986-01-01

An improved process for thermal solvent refining or hydroliquefaction of non-anthracitic coal at elevated temperatures under hydrogen pressure in a hydrogen donor solvent comprises pretreating the coal with a binary mixture of an aromatic hydrocarbon and an aliphatic alcohol at a temperature below 300.degree. C. before the hydroliquefaction step. This treatment generally increases both conversion of coal and yields of oil.

Synthesis of Thermally Stable Polymers

DTIC Science & Technology

1978-07-01

presence of the ethynyl group was substantiated by preparing a hydrogenated derivative. Thus, hydrogenation of 98 in the presence of a Raney Nickel catalyst afforded...of a 50:50 ethylacetate ethanol mixture, and treated with hydrogen (60 psi) in the presence of a Raney Nickel catalyst . When the uptake of hydrogen

Molecular interactions in the betaine monohydrate-polyol deep eutectic solvents: Experimental and computational studies

NASA Astrophysics Data System (ADS)

Zahrina, Ida; Mulia, Kamarza; Yanuar, Arry; Nasikin, Mohammad

2018-04-01

DES (deep eutectic solvents) are a new class of ionic liquids that have excellent properties. The strength of interaction between molecules in the DES affects their properties and applications. In this work, the strength of molecular interactions between components in the betaine monohydrate salt and polyol (glycerol or/and propylene glycol) eutectic mixtures was studied by experimental and computational studies. The melting point and fusion enthalpy of the mixtures were measured using STA (Simultaneous Thermal Analyzer). The nature and strength of intermolecular interactions were observed by FT-IR and NMR spectroscopy. The molecular dynamics simulation was used to determine the number of H-bonds, percent occupancy, and radial distribution functions in the eutectic mixtures. The interaction between betaine monohydrate and polyol is following order: betaine monohydrate-glycerol-propylene glycol > betaine monohydrate-glycerol > betaine monohydrate-propylene glycol, where the latter is the eutectic mixture with the lowest stability, strength and extent of the hydrogen bonding interactions between component molecules. The presence of intra-molecular hydrogen bonding interactions, the inter-molecular hydrogen bonding interactions between betaine molecule and polyol, and also interactions between polyol and H2O of betaine monohydrate in the eutectic mixtures.

Conversion of alkali metal sulfate to the carbonate

DOEpatents

Sheth, Atul C.

1982-01-01

A process for converting potassium sulfate to potassium carbonate in which a mixture of potassium sulfate and calcium oxide are reacted at a temperature in the range of between about 700.degree. C. and about 800.degree. C. with a gaseous mixture having a minor amount of hydrogen and/or carbon monoxide in a diluent with the calcium oxide being present in an amount not greater than about 20 percent by weight of the potassium sulfate to produce an aqueous mixture of potassium sulfide, potassium bisulfide, potassium hydroxide and calcium sulfide and a gaseous mixture of steam and hydrogen sulfide. The potassium and calcium salts are quenched to produce an aqueous slurry of soluble potassium salts and insoluble calcium salts and a gaseous mixture of steam and hydrogen sulfide. The insoluble calcium salts are then separated from the aqueous solution of soluble potassium salts. The calcium salts are dried to produce calcium sulfide, calcium bisulfide and steam, and then, the calcium sulfide and calcium bisulfide are converted to the oxide and recycled. The soluble potassium salts are carbonated to produce potassium carbonate which is concentrated and the precipitated crystals separated. The sulfur-containing compounds are further treated.

Hydrogen rich gas generator

NASA Technical Reports Server (NTRS)

Houseman, J.; Rupe, J. H.; Kushida, R. O. (Inventor)

1976-01-01

A process and apparatus is described for producing a hydrogen rich gas by injecting air and hydrocarbon fuel at one end of a cylindrically shaped chamber to form a mixture and igniting the mixture to provide hot combustion gases by partial oxidation of the hydrocarbon fuel. The combustion gases move away from the ignition region to another region where water is injected to be turned into steam by the hot combustion gases. The steam which is formed mixes with the hot gases to yield a uniform hot gas whereby a steam reforming reaction with the hydrocarbon fuel takes place to produce a hydrogen rich gas.

Mars in situ propellants: Carbon monoxide and oxygen ignition experiments

NASA Technical Reports Server (NTRS)

Linne, Diane L.; Roncace, James; Groth, Mary F.

1990-01-01

Carbon monoxide and oxygen were tested in a standard spark-torch igniter to identify the ignition characteristics of this potential Mars in situ propellant combination. The ignition profiles were determined as functions of mixture ratio, amount of hydrogen added to the carbon monoxide, and oxygen inlet temperature. The experiments indicated that the carbon monoxide and oxygen combination must have small amounts of hydrogen present to initiate reaction. Once the reaction was started, the combustion continued without the presence of hydrogen. A mixture ratio range was identified where ignition occurred, and this range varied with the oxygen inlet temperature.

On the abiotic formation of amino acids. I - HCN as a precursor of amino acids detected in extracts of lunar samples. II - Formation of HCN and amino acids from simulated mixtures of gases released from lunar samples

NASA Technical Reports Server (NTRS)

Yuasa, S.; Flory, D.; Basile, B.; Oro, J.

1984-01-01

Two studies on the abiotic formation of amino acids are presented. The first study demonstrates the role of hydrogen cyanide as a precursor of amino acids detected in extracts of lunar samples. The formation of several amino acids, including glycine, alanine, aspartic acid, and glutamic acid, under conditions similar to those used for the analysis of lunar samples is demonstrated. The second study investigates the formation of hydrogen cyanide as well as amino acids from lunar-sample gas mixtures under electrical discharge conditions. These results extend the possibility of synthesis of amino acids to planetary bodies with primordial atmospheres less reducing than a mixture of methane, ammonia, hydrogen and water.

Biological hydrogen production by anaerobic digestion of food waste and sewage sludge treated using various pretreatment technologies.

PubMed

Kim, Seungjin; Choi, Kwangkeun; Kim, Jong-Oh; Chung, Jinwook

2013-11-01

The purpose of this study was to enhance the efficiency of anaerobic co-digestion with sewage sludge using pretreatment technologies and food waste. We studied the effects of various pretreatment methods (thermal, chemical, ultrasonic, and their combination) on hydrogen production and the characteristics of volatile fatty acids (VFAs) using sewage sludge alone and a mixture of sewage sludge and food waste. The pretreatment combination of alkalization and ultrasonication performed best, effecting a high solubilization rate and high hydrogen production (13.8 mL H2/g VSSconsumed). At a food waste:pretreated sewage sludge ratio of 2:1 in the mixture, the peak hydrogen production value was 5.0 L H2/L/d. As the production of hydrogen increased, propionate levels fell but butyrate concentrations rose gradually.

Composition for absorbing hydrogen from gas mixtures

DOEpatents

Heung, Leung K.; Wicks, George G.; Lee, Myung W.

1999-01-01

A hydrogen storage composition is provided which defines a physical sol-gel matrix having an average pore size of less than 3.5 angstroms which effectively excludes gaseous metal hydride poisons while permitting hydrogen gas to enter. The composition is useful for separating hydrogen gas from diverse gas streams which may have contaminants that would otherwise render the hydrogen absorbing material inactive.

Excited-state proton transfer dynamics of firefly's chromophore D-luciferin in DMSO-water binary mixture.

PubMed

Kuchlyan, Jagannath; Banik, Debasis; Roy, Arpita; Kundu, Niloy; Sarkar, Nilmoni

2014-12-04

In this article we have investigated intermolecular excited-state proton transfer (ESPT) of firefly's chromophore D-luciferin in DMSO-water binary mixtures using steady-state and time-resolved fluorescence spectroscopy. The unusual behavior of DMSO-water binary mixture as reported by Bagchi et al. (J. Phys. Chem. B 2010, 114, 12875-12882) was also found using D-luciferin as intermolecular ESPT probe. The binary mixture has given evidence of its anomalous nature at low mole fractions of DMSO (below XD = 0.4) in our systematic investigation. Upon excitation of neutral D-luciferin molecule, dual fluorescence emissions (protonated and deprotonated form) are observed in DMSO-water binary mixture. A clear isoemissive point in the time-resolved area normalized emission spectra further indicates two emissive species in the excited state of D-luciferin in DMSO-water binary mixture. DMSO-water binary mixtures of different compositions are fascinating hydrogen bonding systems. Therefore, we have observed unusual changes in the fluorescence emission intensity, fluorescence quantum yield, and fluorescence lifetime of more hydrogen bonding sensitive anionic form of D-luciferin in low DMSO content of DMSO-water binary mixture.

Biohydrogen production by dark fermentation of glycerol using Enterobacter and Citrobacter Sp.

PubMed

Maru, Biniam T; Constanti, Magda; Stchigel, Alberto M; Medina, Francesc; Sueiras, Jesus E

2013-01-01

Glycerol is an attractive substrate for biohydrogen production because, in theory, it can produce 3 mol of hydrogen per mol of glycerol. Moreover, glycerol is produced in substantial amounts as a byproduct of producing biodiesel, the demand for which has increased in recent years. Therefore, hydrogen production from glycerol was studied by dark fermentation using three strains of bacteria: namely, Enterobacter spH1, Enterobacter spH2, and Citrobacter freundii H3 and a mixture thereof (1:1:1). It was found that, when an initial concentration of 20 g/L of glycerol was used, all three strains and their mixture produced substantial amounts of hydrogen ranging from 2400 to 3500 mL/L, being highest for C. freundii H3 (3547 mL/L) and Enterobacter spH1 (3506 mL/L). The main nongaseous fermentation products were ethanol and acetate, albeit in different ratios. For Enterobacter spH1, Enterobacter spH2, C. freundii H3, and the mixture (1:1:1), the ethanol yields (in mol EtOH/mol glycerol consumed) were 0.96, 0.67, 0.31, and 0.66, respectively. Compared to the individual strains, the mixture (1:1:1) did not show a significantly higher hydrogen level, indicating that there was no synergistic effect. Enterobacter spH1 was selected for further investigation because of its higher yield of hydrogen and ethanol. Copyright © 2012 American Institute of Chemical Engineers (AIChE).

21 CFR 172.167 - Silver nitrate and hydrogen peroxide solution.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Silver nitrate and hydrogen peroxide solution. 172... FOOD FOR HUMAN CONSUMPTION Food Preservatives § 172.167 Silver nitrate and hydrogen peroxide solution. An aqueous solution containing a mixture of silver nitrate and hydrogen peroxide may be safely used...

21 CFR 172.167 - Silver nitrate and hydrogen peroxide solution.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Silver nitrate and hydrogen peroxide solution. 172... FOOD FOR HUMAN CONSUMPTION Food Preservatives § 172.167 Silver nitrate and hydrogen peroxide solution. An aqueous solution containing a mixture of silver nitrate and hydrogen peroxide may be safely used...

21 CFR 172.167 - Silver nitrate and hydrogen peroxide solution.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Silver nitrate and hydrogen peroxide solution. 172... Preservatives § 172.167 Silver nitrate and hydrogen peroxide solution. An aqueous solution containing a mixture of silver nitrate and hydrogen peroxide may be safely used in accordance with the following...

21 CFR 172.167 - Silver nitrate and hydrogen peroxide solution.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Silver nitrate and hydrogen peroxide solution. 172... FOOD FOR HUMAN CONSUMPTION Food Preservatives § 172.167 Silver nitrate and hydrogen peroxide solution. An aqueous solution containing a mixture of silver nitrate and hydrogen peroxide may be safely used...

Characterizing Dissolved Gases in Cryogenic Liquid Fuels

NASA Astrophysics Data System (ADS)

Richardson, Ian A.

Pressure-Density-Temperature-Composition (PrhoT-x) measurements of cryogenic fuel mixtures are a historical challenge due to the difficulties of maintaining cryogenic temperatures and precision isolation of a mixture sample. For decades NASA has used helium to pressurize liquid hydrogen propellant tanks to maintain tank pressure and reduce boil off. This process causes helium gas to dissolve into liquid hydrogen creating a cryogenic mixture with thermodynamic properties that vary from pure liquid hydrogen. This can lead to inefficiencies in fuel storage and instabilities in fluid flow. As NASA plans for longer missions to Mars and beyond, small inefficiencies such as dissolved helium in liquid propellant become significant. Traditional NASA models are unable to account for dissolved helium due to a lack of fundamental property measurements necessary for the development of a mixture Equation Of State (EOS). The first PrhoT-x measurements of helium-hydrogen mixtures using a retrofitted single-sinker densimeter, magnetic suspension microbalance, and calibrated gas chromatograph are presented in this research. These measurements were used to develop the first multi-phase EOS for helium-hydrogen mixtures which was implemented into NASA's Generalized Fluid System Simulation Program (GFSSP) to determine the significance of mixture non-idealities. It was revealed that having dissolved helium in the propellant does not have a significant effect on the tank pressurization rate but does affect the rate at which the propellant temperature rises. PrhoT-x measurements are conducted on methane-ethane mixtures with dissolved nitrogen gas to simulate the conditions of the hydrocarbon seas of Saturn's moon Titan. Titan is the only known celestial body in the solar system besides Earth with stable liquid seas accessible on the surface. The PrhoT-x measurements are used to develop solubility models to aid in the design of the Titan Submarine. NASA is currently designing the submarine to explore the depths of Titan's methane-ethane seas to study the evolution of hydrocarbons in the universe and provide a pathfinder for future submersible designs. In addition, effervescence and freezing liquid line measurements on various liquid methane-ethane compositions with dissolved gaseous nitrogen are presented from 1.5 bar to 4.5 bar and temperatures from 92 K to 96 K to improve simulations of the conditions of the seas. These measurements will be used to validate sea property and bubble incipience models for the Titan Submarine design.

Tantalum-containing catalyst useful for producing alcohols from synthesis gas

DOEpatents

Kinkade, N.E.

1992-04-07

A catalyst is described which is useful for selectively converting a mixture of carbon monoxide and hydrogen to a mixture of lower alkanols. The catalyst consists essentially of a mixture of molybdenum sulfide, an alkali metal compound and a tantalum compound.

Modeling the phase behavior of H2S+n-alkane binary mixtures using the SAFT-VR+D approach.

PubMed

dos Ramos, M Carolina; Goff, Kimberly D; Zhao, Honggang; McCabe, Clare

2008-08-07

A statistical associating fluid theory for potential of variable range has been recently developed to model dipolar fluids (SAFT-VR+D) [Zhao and McCabe, J. Chem. Phys. 2006, 125, 104504]. The SAFT-VR+D equation explicitly accounts for dipolar interactions and their effect on the thermodynamics and structure of a fluid by using the generalized mean spherical approximation (GMSA) to describe a reference fluid of dipolar square-well segments. In this work, we apply the SAFT-VR+D approach to real mixtures of dipolar fluids. In particular, we examine the high-pressure phase diagram of hydrogen sulfide+n-alkane binary mixtures. Hydrogen sulfide is modeled as an associating spherical molecule with four off-center sites to mimic hydrogen bonding and an embedded dipole moment (micro) to describe the polarity of H2S. The n-alkane molecules are modeled as spherical segments tangentially bonded together to form chains of length m, as in the original SAFT-VR approach. By using simple Lorentz-Berthelot combining rules, the theoretical predictions from the SAFT-VR+D equation are found to be in excellent overall agreement with experimental data. In particular, the theory is able to accurately describe the different types of phase behavior observed for these mixtures as the molecular weight of the alkane is varied: type III phase behavior, according to the scheme of classification by Scott and Konynenburg, for the H2S+methane system, type IIA (with the presence of azeotropy) for the H2S+ethane and+propane mixtures; and type I phase behavior for mixtures of H2S and longer n-alkanes up to n-decane. The theory is also able to predict in a qualitative manner the solubility of hydrogen sulfide in heavy n-alkanes.

Effect of silane concentration on the supersonic combustion of a silane/methane mixture

NASA Technical Reports Server (NTRS)

Northam, G. B.; Mclain, A. G.; Pellett, G. L.; Diskin, G. S.

1986-01-01

A series of direct connect combustor tests was conducted to determine the effect of silane concentration on the supersonic combustion characteristics of silane/methane mixtures. Shock tube ignition delay data indicated more than an order of magnitude reduction in ignition delay times for both 10 and 20 percent silane/methane mixtures as compared to methane. The ignition delay time of the 10 percent mixture was only a factor of 2.3 greater than that of the 20 percent mixture. Supersonic combustion tests were conducted with the fuel injected into a model scramjet combustor. The combustor was mounted at the exit of a Mach 2 nozzle and a hydrogen fired heater was used to provide a variation in test gas total temperature. Tests using the 20 percent silane/methane mixture indicated considerable combustion enhancement when compared to methane alone. This mixture had an autoignition total temperature of 1650 R. This autoignition temperature can be contrasted with 2330 R for hydrogen and 1350 R for a 20 percent silane/hydrogen mixture in similar hardware. Methane without the silane additive did not autoignite in this configuration at total temperatures as high as 3900 R, the maximum temperature at which tests were conducted. Supersonic combustion tests with the silane concentration reduced to 10 percent indicated little improvement in combustion performance over pure methane. The addition of 20 percent silane to methane resulted in a pyrophoric fuel with good supersonic combustion performance. Reducing the silane concentration below this level, however, yielded a less pyrophoric fuel that exhibited poor supersonic combustion performance.

Vibration Considerations for Cryogenic Tanks Using Glass Bubbles Insulation

NASA Technical Reports Server (NTRS)

Werlink, Rudolph J.; Fesmire, James E.; Sass, Jared P.

2011-01-01

The use of glass bubbles as an efficient and practical thermal insulation system has been previously demonstrated in cryogenic storage tanks. One such example is a spherical, vacuum-jacketed liquid hydrogen vessel of 218,000 liter capacity where the boiloff rate has been reduced by approximately 50 percent. Further applications may include non-stationary tanks such as mobile tankers and tanks with extreme duty cycles or exposed to significant vibration environments. Space rocket launch events and mobile tanker life cycles represent two harsh cases of mechanical vibration exposure. A number of bulk fill insulation materials including glass bubbles, perlite powders, and aerogel granules were tested for vibration effects and mechanical behavior using a custom design holding fixture subjected to random vibration on an Electrodynamic Shaker. The settling effects for mixtures of insulation materials were also investigated. The vibration test results and granular particle analysis are presented with considerations and implications for future cryogenic tank applications. A thermal performance update on field demonstration testing of a 218,000 L liquid hydrogen storage tank, retrofitted with glass bubbles, is presented. KEYWORDS: Glass bubble, perlite, aerogel, insulation, liquid hydrogen, storage tank, mobile tanker, vibration.

Hydroxyl group as IR probe to detect the structure of ionic liquid-acetonitrile mixtures

NASA Astrophysics Data System (ADS)

Xu, Jing; Deng, Geng; Zhou, Yu; Ashraf, Hamad; Yu, Zhi-Wu

2018-06-01

Task-specific ionic liquids (ILs) are those with functional groups introduced in the cations or anions of ILs to bring about specific properties for various tasks. In this work, the hydrogen bonding interactions between a hydroxyl functionalized IL 1-(2-hydroxylethyl)-3-methylimidazolium tetrafluoroborate ([C2OHMIM][BF4]) and acetonitrile were investigated in detail by infrared spectroscopy, excess spectroscopy, two-dimensional correlation spectroscopy, combined with hydrogen nuclear magnetic resonance and density functional theory calculations (DFT). The hydroxyl group rather than C2sbnd H is found to be the main interaction site in the cation. And the ν(Osbnd H) is more sensitive than v(C-Hs) to the environment, which has been taken as an intrinsic probe to reflect the structural change of IL. Examining the region of ν(Osbnd H), by combining excess spectroscopy and DFT calculation, a number of species were identified in the mixtures. Other than the hydrogen bond between a cation and an anion, the hydroxyl group allows the formation of a hydrogen bond between two like-charged cations. The Osbnd H⋯O hydrogen bonding interactions in the hydroxyl-mediated cation-cation complexes are cooperative, while Osbnd H⋯F and C2sbnd H⋯F hydrogen bonding interactions in cation-anion complexes are anti-cooperative. These in-depth studies on the properties of the ionic liquid-acetonitrile mixtures may shed light on exploring their applications as mixed solvents and understanding the nature of doubly ionic hydrogen bonds.

Blending Hydrogen into Natural Gas Pipeline Networks. A Review of Key Issues

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

Melaina, M. W.; Antonia, O.; Penev, M.

2013-03-01

This study assesses the potential to deliver hydrogen through the existing natural gas pipeline network as a hydrogen and natural gas mixture to defray the cost of building dedicated hydrogen pipelines. Blending hydrogen into the existing natural gas pipeline network has also been proposed as a means of increasing the output of renewable energy systems such as large wind farms.

Exploring the possibility to store the mixed oxygen-hydrogen cluster in clathrate hydrate in molar ratio 1:2 (O2+2H2).

PubMed

Qin, Yan; Du, Qi-Shi; Xie, Neng-Zhong; Li, Jian-Xiu; Huang, Ri-Bo

2017-05-01

An interesting possibility is explored: storing the mixture of oxygen and hydrogen in clathrate hydrate in molar ratio 1:2. The interaction energies between oxygen, hydrogen, and clathrate hydrate are calculated using high level quantum chemical methods. The useful conclusion points from this study are summarized as follows. (1) The interaction energies of oxygen-hydrogen mixed cluster are larger than the energies of pure hydrogen molecular cluster. (2) The affinity of oxygen molecules with water molecules is larger than that of the hydrogen molecules with water molecules. (3) The dimension of O 2 -2H 2 interaction structure is smaller than the dimension of CO 2 -2H 2 interaction structure. (4) The escaping energy of oxygen molecules from the hydrate cell is larger than that of the hydrogen molecules. (5) The high affinity of the oxygen molecules with both the water molecules and the hydrogen molecules may promote the stability of oxygen-hydrogen mixture in the clathrate hydrate. Therefore it is possible to store the mixed (O 2 +2H 2 ) cluster in clathrate hydrate. Copyright © 2017 Elsevier Inc. All rights reserved.

THE FORMATION OF DETONATION IN SATURATED MIXTURES OF KNALLGAS-STEAM AND IN STOICHIOMETRIC MIXTURES OF DEUTERIUM-OXYGEN (HEAVY WATER). Final Report

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

Luker, J.A.; Adler, L.B.; Hobaica, E.C.

1959-01-23

The purpose of this investigation was to determine the reaction characteristics of satuated mixtures of knall gas (stoichiometric mixture of hydrogen and oxygen) --steam and mixtures of heavy knall gas (stoichm-ometric mixture of deuterion and oxygen) saturated with heavy water. These mixtues were studied experimentally over composition ranges from no reaction limit to enriched compositions which supported detonations. (auth)

New laboratory measurements on ammonia's inversion spectrum, with implications for planetary atmospheres

NASA Technical Reports Server (NTRS)

Spilker, Thomas R.

1993-01-01

Microwave spectral measurements have been performed on pure room-temperature gaseous ammonia at frequencies from 1.75 to 18 GHz (1.7-17 cm), at 50-, 100-, and 300-torr pressures. These measurements are part of a laboratory program to measure the microwave absorption spectrum of ammonia, under conditions applicable to giant planet atmospheres, now in progress at the Jet Propulsion Laboratory. The pure ammonia data reported here agree well with previous data by Bleaney and Loubser (1950) at 100 and 300 torrs, and with predictions of the absorptivity formalism published by Berge and Gulkis. Success with pure ammonia but failure with mixtures of ammonia in hydrogen and helium (Spilker, 1990) indicates that the Berge and Gulkis formalism does not correctly handle foreign-gas effects on ammonia inversion lines. This may require modifying conclusions of radio astronomical and radio occultation studies that used this formalism. Notably, a suggested depletion of ammonia and superabundance of hydrogen sulfide may have been exaggerated as a result of inaccuracies in the Berge and Gulkis formalism.

Equations of state and transport properties of mixtures in the warm dense regime

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

Hou, Yong; Dai, Jiayu; Kang, Dongdong

2015-02-15

We have performed average-atom molecular dynamics to simulate the CH and LiH mixtures in the warm dense regime, and obtained equations of state and the ionic transport properties. The electronic structures are calculated by using the modified average-atom model, which have included the broadening of energy levels, and the ion-ion pair potentials of mixtures are constructed based on the temperature-dependent density functional theory. The ionic transport properties, such as ionic diffusion and shear viscosity, are obtained through the ionic velocity correlation functions. The equations of state and transport properties for carbon, hydrogen and lithium, hydrogen mixtures in a wide regionmore » of density and temperature are calculated. Through our computing the average ionization degree, average ion-sphere diameter and transition properties in the mixture, it is shown that transport properties depend not only on the ionic mass but also on the average ionization degree.« less

Correlation and transport properties for mixtures at constant pressure and temperature

NASA Astrophysics Data System (ADS)

White, Alexander J.; Collins, Lee A.; Kress, Joel D.; Ticknor, Christopher; Clérouin, Jean; Arnault, Philippe; Desbiens, Nicolas

2017-06-01

Transport properties of mixtures of elements in the dense plasma regime play an important role in natural astrophysical and experimental systems, e.g., inertial confinement fusion. We present a series of orbital-free molecular dynamics simulations on dense plasma mixtures with comparison to a global pseudo ion in jellium model. Hydrogen is mixed with elements of increasingly high atomic number (lithium, carbon, aluminum, copper, and silver) at a fixed temperature of 100 eV and constant pressure set by pure hydrogen at 2 g/cm 3 , namely, 370 Mbars. We compute ionic transport coefficients, such as self-diffusion, mutual diffusion, and viscosity for various concentrations. Small concentrations of the heavy atoms significantly change the density of the plasma and decrease the transport coefficients. The structure of the mixture evidences a strong Coulomb coupling between heavy ions and the appearance of a broad correlation peak at short distances between hydrogen atoms. The concept of an effective one component plasma is used to quantify the overcorrelation of the light element induced by the admixture of a heavy element.

Correlation and transport properties for mixtures at constant pressure and temperature

DOE PAGES

White, Alexander J.; Collins, Lee A.; Kress, Joel D.; ...

2017-06-02

Transport properties of mixtures of elements in the dense plasma regime play an important role in natural astrophysical and experimental systems, e.g., inertial confinement fusion. In this paper, we present a series of orbital-free molecular dynamics simulations on dense plasma mixtures with comparison to a global pseudo ion in jellium model. Hydrogen is mixed with elements of increasingly high atomic number (lithium, carbon, aluminum, copper, and silver) at a fixed temperature of 100 eV and constant pressure set by pure hydrogen at 2g/cm 3, namely, 370 Mbars. We compute ionic transport coefficients, such as self-diffusion, mutual diffusion, and viscosity formore » various concentrations. Small concentrations of the heavy atoms significantly change the density of the plasma and decrease the transport coefficients. The structure of the mixture evidences a strong Coulomb coupling between heavy ions and the appearance of a broad correlation peak at short distances between hydrogen atoms. Finally, the concept of an effective one component plasma is used to quantify the overcorrelation of the light element induced by the admixture of a heavy element.« less

Correlation and transport properties for mixtures at constant pressure and temperature

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

White, Alexander J.; Collins, Lee A.; Kress, Joel D.

Transport properties of mixtures of elements in the dense plasma regime play an important role in natural astrophysical and experimental systems, e.g., inertial confinement fusion. In this paper, we present a series of orbital-free molecular dynamics simulations on dense plasma mixtures with comparison to a global pseudo ion in jellium model. Hydrogen is mixed with elements of increasingly high atomic number (lithium, carbon, aluminum, copper, and silver) at a fixed temperature of 100 eV and constant pressure set by pure hydrogen at 2g/cm 3, namely, 370 Mbars. We compute ionic transport coefficients, such as self-diffusion, mutual diffusion, and viscosity formore » various concentrations. Small concentrations of the heavy atoms significantly change the density of the plasma and decrease the transport coefficients. The structure of the mixture evidences a strong Coulomb coupling between heavy ions and the appearance of a broad correlation peak at short distances between hydrogen atoms. Finally, the concept of an effective one component plasma is used to quantify the overcorrelation of the light element induced by the admixture of a heavy element.« less

Onset of hydrogen bonded collective network of water in 1,4-dioxane.

PubMed

Luong, Trung Quan; Verma, Pramod Kumar; Mitra, Rajib Kumar; Havenith, Martina

2011-12-22

We have studied the evolution of water hydrogen bonded collective network dynamics in mixtures of 1,4-dioxane (Dx) as the mole fraction of water (X(w)) increases from 0.005 to 0.54. The inter- and intramolecular vibrations of water have been observed using terahertz time domain spectroscopy (THz-TDS) in the frequency range 0.4-1.4 THz (13-47 cm(-1)) and Fourier transform infrared (FTIR) spectroscopy in the far-infrared (30-650 cm(-1)) and mid-infrared (3000-3700 cm(-1)) regions. These results have been correlated with the reactivity of water in these mixtures as determined by kinetic studies of the solvolysis reaction of benzoyl chloride (BzCl). Our studies show an onset of intermolecular hydrogen bonded water network dynamics beyond X(w) ≥ 0.1. At the same concentration, we observe a rapid increase of the rate constant of solvolysis of BzCl in water-Dx mixtures. Our results establish a correlation between the onset of collective hydrogen bonded network with the solvation dynamics and the activity of clustered water.

SEPARATION OF METAL VALUES FROM NUCLEAR REACTOR

DOEpatents

Campbell, D.O.; Cathers, G.I.

1962-06-19

A method is given for separating beryllium fluoride and an alkali metal fluoride from a mixture containing same and rare earth fluorides. The method comprises contacting said mixture with a liquid hydrogen fluoride solvent containing no more than about 30 per cent water by weight and saturated with a fluoride salt characterized by its solubility in anhydrous hydrogen fluoride for a period of time sufficient to dissolve said beryllium fluoride in said solvent. (AEC)

Structures and interactions in N-methylacetamide-water mixtures studied by IR spectra and density functional theory

NASA Astrophysics Data System (ADS)

Zhang, Rong; Li, Haoran; Lei, Yi; Han, Shijun

2004-05-01

IR spectra have been performed to study the structures and interactions in N-methylacetamide and water mixtures. Because of the competitions of acceptor and donor of the strong hydrogen bonds, some interesting phenomena of red shifts and blue shifts are observed in νCO and νN-H. It is due to the blue-shifting C-H⋯O hydrogen bond, the νC-H blue shifts more obviously. Then some representative cluster structures are suggested and further investigated by density functional theory method. The changes in bond length and frequency shift of the structures give good reasons for the red shift and blue shift, which represents excellent agreement with the IR experiment. The investigations of IR spectra and DFT calculations reveal that the weak C-H⋯O interactions play different roles compared with the classical strong hydrogen bonds in the NMA-water mixtures.

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

DOEpatents

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

2011-11-22

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

Microwave plasma generation of arsine from hydrogen and solid arsenic

NASA Astrophysics Data System (ADS)

Omstead, Thomas R.; Annapragada, Ananth V.; Jensen, Klavs F.

1990-12-01

The generation of arsine from the reactions of hydrogen and elemental arsenic in a microwave plasma reactor is described. The arsenic is evaporated from a solid source upstream and carried into the microwave plasma region by a mixture of hydrogen and argon. Stable reaction products, arsine and diarsine are observed by molecular beam sampled mass spectroscopy along with partially hydrogenated species (e.g., AsH and AsH2). The effect of composition and flow rate of the argon/hydrogen carrier gas mixture on the amount of arsine generated is investigated. The arsine production reaches a maximum for an argon-to-hydrogen ratio of unity indicating that metastable argon species act as energy transfer intermediates in the overall reaction. The generation of arsine and diarsine from easily handled solid arsenic by this technique makes it attractive as a possible arsenic source for the growth of compound semiconductors by low-pressure metalorganic chemical vapor deposition.

Effectiveness and reaction networks of H2O2 vapor with NH3 gas for decontamination of the toxic warfare nerve agent, VX on a solid surface.

PubMed

Gon Ryu, Sam; Wan Lee, Hae

2015-01-01

The nerve agent, O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate (VX) must be promptly eliminated following its release into the environment because it is extremely toxic, can cause death within a few minutes after exposure, acts through direct skin contact as well as inhalation, and persists in the environment for several weeks after release. A mixture of hydrogen peroxide vapor and ammonia gas was examined as a decontaminant for the removal of VX on solid surfaces at ambient temperature, and the reaction products were analyzed by gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance spectrometry (NMR). All the VX on glass wool filter disks was found to be eliminated after 2 h of exposure to the decontaminant mixtures, and the primary decomposition product was determined to be non-toxic ethyl methylphosphonic acid (EMPA); no toxic S-[2-(diisopropylamino)ethyl] methylphosphonothioic acid (EA-2192), which is usually produced in traditional basic hydrolysis systems, was found to be formed. However, other by-products, such as toxic O-ethyl S-vinyl methylphosphonothioate and (2-diisopropylaminoethyl) vinyl disulfide, were detected up to 150 min of exposure to the decontaminant mixture; these by-products disappeared after 3 h. The two detected vinyl byproducts were identified first in this study with the decontamination system of liquid VX on solid surfaces using a mixture of hydrogen peroxide vapor and ammonia gas. The detailed decontamination reaction networks of VX on solid surfaces produced by the mixture of hydrogen peroxide vapor and ammonia gas were suggested based on the reaction products. These findings suggest that the mixture of hydrogen peroxide vapor and ammonia gas investigated in this study is an efficient decontaminant mixture for the removal of VX on solid surfaces at ambient temperature despite the formation of a toxic by-product in the reaction process.

Nonideality in diffusion of ionic and hydrophobic solutes and pair dynamics in water-acetone mixtures of varying composition.

PubMed

Gupta, Rini; Chandra, Amalendu

2007-07-14

We have performed a series of molecular dynamics simulations of water-acetone mixtures containing either an ionic solute or a neutral hydrophobic solute to study the extent of nonideality in the dynamics of these solutes with variation of composition of the mixtures. The diffusion coefficients of the charged solutes, both cationic and anionic, are found to change nonmonotonically with the composition of the mixtures showing strong nonideality of their dynamics. Also, the extent of nonideality in the diffusion of these charged solutes is found to be similar to the nonideality that is observed for the diffusion and orientational relaxation of water and acetone molecules in these mixtures which show a somewhat similar changes in the solvation characteristics of charged and dipolar solutes with changes of composition of water-acetone mixtures. The diffusion of the hydrophobic solute, however, shows a monotonic increase with increase of acetone concentration showing its different solvation characteristics as compared to the charged and dipolar solutes. The links between the nonideality in diffusion and solvation structures are further confirmed through calculations of the relevant solute-solvent and solvent-solvent radial distribution functions for both ionic and hydrophobic solutes. We have also calculated various pair dynamical properties such as the relaxation of water-water and acetone-water hydrogen bonds and residence dynamics of water molecules in water and acetone hydration shells. The lifetimes of both water-water and acetone-water hydrogen bonds and also the residence times of water molecules are found to increase steadily with increase in acetone concentration. No maximum or minimum was found in the composition dependence of these pair dynamical quantities. The lifetimes of water-water hydrogen bonds are always found to be longer than that of acetone-water hydrogen bonds in these mixtures. The residence times of water molecules are also found to follow a similar trend.

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

Jadeja, K.A.; Patel, K.M.; Tanna, R.L., E-mail: kumarpal@ipr.res.in

Low temperature glow discharge wall conditioning (GDC) using H{sub 2} gas is effective in reduction of oxygen and carbon (low-Z) contain impurities on near surface region of vessel wall. The high retention of hydrogen in vessel wall/components due to long operation of H{sub 2} GDC increases hydrogen out-gassing during tokamak operation and affects the production of high temperature plasma. The hydrogen retention can be reduced using inert gas GDC by sputter cleaning for short duration. But in that case the out-gassing rate of inert gas increases, that again impairs the plasma performance. To overcome above problems, the GDC with hydrogen-inertmore » gas mixture can be used for better removal of C and O surface contaminants and low hydrogen retention in surface. In ADITYA tokamak, H{sub 2}-GDC is carried out regularly after plasma operation, while the GDC with argon-hydrogen (Ar-H{sub 2}) mixture has been experimentally tested to observe the reduction of oxygen and carbon impurities along with low hydrogen retention. In Ar-H{sub 2} GDC, the reason being the formation of ArH{sup +} hydride ions, which has quite long life and more energy compared to H{sub 2}{sup +} ions formed in H{sub 2} GDC for breaking the bond of wall molecules. A systematic comparative study of H{sub 2} GDC and Ar-H{sub 2} Mixture GDC by changing the mixture ratio has been carried out in ADITYA tokamak. The relative levels of oxygen and carbon contain impurities have been measured using residual gas analyzer in both GDC's. We have observed a substantial reduction in oxygen and carbon impurities with a significant improvement in wall condition with Ar-H{sub 2} GDC compared to the H{sub 2} GDC. The effect of wall conditioning by Ar-H{sub 2} GDC on the performance of high temperature plasma operation will be presented in this paper. (author)« less

Isotope effects on L-H threshold and confinement in tokamak plasmas

NASA Astrophysics Data System (ADS)

Maggi, C. F.; Weisen, H.; Hillesheim, J. C.; Chankin, A.; Delabie, E.; Horvath, L.; Auriemma, F.; Carvalho, I. S.; Corrigan, G.; Flanagan, J.; Garzotti, L.; Keeling, D.; King, D.; Lerche, E.; Lorenzini, R.; Maslov, M.; Menmuir, S.; Saarelma, S.; Sips, A. C. C.; Solano, E. R.; Belonohy, E.; Casson, F. J.; Challis, C.; Giroud, C.; Parail, V.; Silva, C.; Valisa, M.; Contributors, JET

2018-01-01

The dependence of plasma transport and confinement on the main hydrogenic ion isotope mass is of fundamental importance for understanding turbulent transport and, therefore, for accurate extrapolations of confinement from present tokamak experiments, which typically use a single hydrogen isotope, to burning plasmas such as ITER, which will operate in deuterium-tritium mixtures. Knowledge of the dependence of plasma properties and edge transport barrier formation on main ion species is critical in view of the initial, low-activation phase of ITER operations in hydrogen or helium and of its implications on the subsequent operation in deuterium-tritium. The favourable scaling of global energy confinement time with isotope mass, which has been observed in many tokamak experiments, remains largely unexplained theoretically. Moreover, the mass scaling observed in experiments varies depending on the plasma edge conditions. In preparation for upcoming deuterium-tritium experiments in the JET tokamak with the ITER-like Be/W Wall (JET-ILW), a thorough experimental investigation of isotope effects in hydrogen, deuterium and tritium plasmas is being carried out, in order to provide stringent tests of plasma energy, particle and momentum transport models. Recent hydrogen and deuterium isotope experiments in JET-ILW on L-H power threshold, L-mode and H-mode confinement are reviewed and discussed in the context of past and more recent isotope experiments in tokamak plasmas, highlighting common elements as well as contrasting observations that have been reported. The experimental findings are discussed in the context of fundamental aspects of plasma transport models.

Composite metal membrane

DOEpatents

Peachey, Nathaniel M.; Dye, Robert C.; Snow, Ronny C.; Birdsell, Stephan A.

1998-01-01

A composite metal membrane including a first metal layer of Group IVB met or Group VB metals, the first metal layer sandwiched between two layers of an oriented metal of palladium, platinum or alloys thereof is provided together with a process for the recovery of hydrogen from a gaseous mixture including contacting a hydrogen-containing gaseous mixture with a first side of a nonporous composite metal membrane including a first metal of Group IVB metals or Group VB metals, the first metal layer sandwiched between two layers of an oriented metal of palladium, platinum or alloys thereof, and, separating hydrogen from a second side of the nonporous composite metal membrane.

Composite metal membrane

DOEpatents

Peachey, N.M.; Dye, R.C.; Snow, R.C.; Birdsell, S.A.

1998-04-14

A composite metal membrane including a first metal layer of Group IVB met or Group VB metals, the first metal layer sandwiched between two layers of an oriented metal of palladium, platinum or alloys thereof is provided together with a process for the recovery of hydrogen from a gaseous mixture including contacting a hydrogen-containing gaseous mixture with a first side of a nonporous composite metal membrane including a first metal of Group IVB metals or Group VB metals, the first metal layer sandwiched between two layers of an oriented metal of palladium, platinum or alloys thereof, and, separating hydrogen from a second side of the nonporous composite metal membrane.

Thermochemical generation of hydrogen and oxygen from water

DOEpatents

Robinson, Paul R.; Bamberger, Carlos E.

1981-01-01

A thermochemical cyclic process for the production of hydrogen exploits the reaction between sodium manganate (NaMnO.sub.2) and titanium dioxide (TiO.sub.2) to form sodium titanate (Na.sub.2 TiO.sub.3), manganese (II) titanate (MnTiO.sub.3) and oxygen. The titanate mixture is treated with sodium hydroxide, in the presence of steam, to form sodium titanate, sodium manganate (III), water and hydrogen. The sodium titanate-manganate (III) mixture is treated with water to form sodium manganate (III), titanium dioxide and sodium hydroxide. Sodium manganate (III) and titanium dioxide are recycled following dissolution of sodium hydroxide in water.

Thermochemical generation of hydrogen and oxygen from water

DOEpatents

Robinson, Paul R.; Bamberger, Carlos E.

1982-01-01

A thermochemical cyclic process for the production of hydrogen exploits the reaction between sodium manganate (NaMnO.sub.2) and titanium dioxide (TiO.sub.2) to form sodium titanate (Na.sub.2 TiO.sub.3), manganese (II) titanate (MnTiO.sub.3) and oxygen. The titanate mixture is treated with sodium hydroxide, in the presence of steam, to form sodium titanate, sodium manganate (III), water and hydrogen. The sodium titanate-manganate (III) mixture is treated with water to form sodium manganate (III), titanium dioxide and sodium hydroxide. Sodium manganate (III) and titanium dioxide are recycled following dissolution of sodium hydroxide in water.

Isothermal vapor-liquid equilibria for the systems 1-chloro-1,1-difluoroethane + hydrogen fluoride, 1,1-dichloro-1-fluoroethane + hydrogen fluoride, and chlorodifluoromethane + hydrogen fluoride

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

Kang, Y.W.; Lee, Y.Y.

1997-03-01

Isothermal vapor-liquid equilibria for the three binary systems (1-chloro-1,1-difluoroethane + hydrogen fluoride, 1,1-dichloro-1-fluoroethane + hydrogen fluoride, and chlorodifluoromethane + hydrogen fluoride) have been measured. The experimental data for the binary systems are correlated with the NRTL equation with the vapor-phase association model for the mixtures containing hydrogen fluoride, and the relevant parameters are presented. All of the systems form minimum boiling heterogeneous azeotropes.

Nonequilibrium boundary layer at a stagnation point for a hydrogen-helium stream over ablating graphite

NASA Technical Reports Server (NTRS)

Liu, T.-M.; Davy, W. C.

1974-01-01

The nonequilibrium axisymmetric stagnation point boundary layer over an ablating graphite surface is considered. The external stream is a high temperature mixture of hydrogen and helium. Variable thermodynamic and transport properties are assumed. Lennard-Jones potential model is used to calculate the transport coefficients of each species. Although the mixture rules for viscosity of the gas mixture are used, the weighting functions are more sophisticated than those commonly employed. For the conductivity of the mixture, generalized Wassiljewa coefficients are used. Seven species with 28 dissociation/recombination reactions are considered. Hansen's model for the dissociation rate constants is employed. The recombination rate constants are obtained by invoking detailed balance principles assisted by the JANAF thermodynamic data and the Hansen-Pearson thermodynamic data for C3.

An Experimental Investigation of Hypergolic Ignition Delay of Hydrogen Peroxide with Fuel Mixtures

NASA Technical Reports Server (NTRS)

Blevins, John A.; Gostowski, Rudy; Chianese, Silvio

2003-01-01

An experimental investigation of hypergolicity and ignition delay of fuel mixtures with hydrogen peroxide is presented. Example results of high speed photography and schleiren from drop tests are shown. Also, a discussion of the sensitivity to experimental parameters such as drop size and subsequent uncertainty considerations of ignition delay results is presented. It is shown that using the described setup on the mixtures presented, the precision uncertainty is on the order of 6% of average ignition delay and 5% of average decomposition delay. This represents sufficient repeatability for first order discrimination of ignition delay for propellant development and screening. Two mixtures, each using commonly available amines and transition metal compounds, are presented as examples that result in ignition delays on the order of 10 milliseconds.

Lifshitz phase: the microscopic structure of aqueous and ethanol mixtures of 1,n-diols.

PubMed

Požar, Martina; Perera, Aurélien

2017-06-14

We study binary mixtures of ethylene glycol and 1,3-propandiol with water or ethanol using computer simulations. Despite strong hydrogen bonding tendencies between all these molecules, we find that these mixtures are surprisingly homogeneous, in contrast to the strong micro-heterogeneity found in aqueous ethanol mixtures. The aqueous diol mixtures are found to be close to ideal mixtures, with near-ideal Kirkwood-Buff integrals. Ethanol-diol mixtures show weak non-ideality. The origin of this unexpected randomness is due to the fact that the two hydrogen bonding hydroxyl groups of the 1,n-diol are bound by the neutral alkyl bond, which prevents the micro-segregation of the different types of hydroxyl groups. These findings suggest that random disorder can arise in the presence of strong interactions - in contrast to the usual picture of random disorder due to weak interactions between the components. They point to the important role of molecular topology in tuning concentration fluctuations in complex liquids. We propose and justify herein the name of Lifshitz phases to designate such types of disordered systems.

21 CFR 173.370 - Peroxyacids.

Code of Federal Regulations, 2010 CFR

2010-04-01

... conditions: (a) The additive is a mixture of peroxyacetic acid, octanoic acid, acetic acid, hydrogen peroxide... the maximum concentration of hydrogen peroxide is 75 ppm. (2) The additive is used as an antimicrobial... million (ppm) as peroxyacetic acid, the maximum concentration of hydrogen peroxide is 110 ppm, and the...

21 CFR 173.370 - Peroxyacids.

Code of Federal Regulations, 2011 CFR

2011-04-01

... conditions: (a) The additive is a mixture of peroxyacetic acid, octanoic acid, acetic acid, hydrogen peroxide... the maximum concentration of hydrogen peroxide is 75 ppm. (2) The additive is used as an antimicrobial... million (ppm) as peroxyacetic acid, the maximum concentration of hydrogen peroxide is 110 ppm, and the...

Device for sampling and enriching impurities in hydrogen comprising hydrogen-permeable membrane

DOEpatents

Ahmed, Shabbir; Papadias, Dionissios D.; Lee, Sheldon D. H.; Kumar, Romesh

2017-01-31

Provided herein are methods and devices to enrich trace quantities of impurities in gaseous mixtures, such as hydrogen fuel. The methods and devices rely on concentration of impurities so as to allow the detection of the impurities using commonly-available detection methods.

Conversion of alkali metal sulfate to the carbonate

DOEpatents

Sheth, A.C.

1979-10-01

A process is described for converting potassium sulfate to potassium carbonate in which a mixture of potassium sulfate and calcium oxide are reacted at a temperature in the range of between about 700/sup 0/C and about 800/sup 0/C with a gaseous mixture having a minor amount of hydrogen and/or carbon monoxide in a diluent with the calcium oxide being present in an amount not greater than about 20 percent by weight of the potassium sulfate to produce an aqueous mixture of potassium sulfide, potassium bisulfide, potassium hydroxide and calcium sulfide and a gaseous mixture of steam and hydrogen sulfide. The potassium and calcium salts are quenched to produce an aqueous slurry of soluble potassium salts and insoluble calcium salts and a gaseous mixture of steam and hydrogen sulfide. The insoluble calcium salts are then separated from the aqueous solution of soluble potassium salts. The calcium salts are dried to produce calcium sulfide, calcium bisulfide and steam, and then, the calcium sulfide and calcium bisulfide are converted to the oxide and recycled. The soluble potassium salts are carbonated to produce potassium carbonate which is concentrated and the precipitated crystals separated. the sulfur-containing compounds are further treated. This process was developed for desulfurization and reprocessing of spent seed from open-cycle coal-fired MHD generators for reuse.

Understanding and Mitigating the Effects of Stable Dodecahydro- closo -dodecaborate Intermediates on Hydrogen-Storage Reactions

DOE PAGES

White, James L.; Newhouse, Rebecca J.; Zhang, Jin Z.; ...

2016-10-25

Alkali metal borohydrides can reversibly store hydrogen; however, the materials display poor cyclability, often times linked to occurrence of stable closo-polyborate intermediate species. In an effort to understand the role of such intermediates on the hydrogen storage properties of metal borohydrides, several alkali metal dodecahydro-closo-dodecaborate salts were isolated in anhydrous form and characterized by diffraction and spectroscopic techniques. Mixtures of Li 2B 12H 12, Na 2B 12H 12, and K 2B 12H 12 with the corresponding alkali metal hydrides were subjected to hydrogenation conditions known to favor partial or full reversibility in metal borohydrides. The stoichiometric mixtures of MH andmore » M 2B 12H 12 salts form the corresponding metal borohydrides MBH 4 (M=Li, Na, K) in almost quantitative yield at 100 MPa H 2 and 500 °C. In addition, stoichiometric mixtures of Li 2B 12H 12 and MgH 2 were found to form MgB 2 at 500 °C and above upon desorption in vacuum. The two destabilization strategies outlined above suggest that metal polyhydro-closo-polyborate species can be converted into the corresponding metal borohydrides or borides, albeit under rather harsh conditions of hydrogen pressure and temperature.« less

Method of steam reforming methanol to hydrogen

DOEpatents

Beshty, Bahjat S.

1990-01-01

The production of hydrogen by the catalyzed steam reforming of methanol is accomplished using a reformer of greatly reduced size and cost wherein a mixture of water and methanol is superheated to the gaseous state at temperatures of about 800.degree. to about 1,100.degree. F. and then fed to a reformer in direct contact with the catalyst bed contained therein, whereby the heat for the endothermic steam reforming reaction is derived directly from the superheated steam/methanol mixture.

The CH/π hydrogen bond: Implication in chemistry

NASA Astrophysics Data System (ADS)

Nishio, M.

2012-06-01

The CH/π hydrogen bond is the weakest extreme of hydrogen bonds that occurs between a soft acid CH and a soft base π-system. Implication in chemistry of the CH/π hydrogen bond includes issues of conformation, crystal packing, and specificity in host/guest complexes. The result obtained by analyzing the Cambridge Structural Database is reviewed. The peculiar axial preference of isopropyl group in α-phellandrene and folded conformation of levopimaric acid have been explained in terms of the CH/π hydrogen bond, by high-level ab initio MO calculations. Implication of the CH/π hydrogen bond in structural biology is also discussed, briefly.

Change of hydrogen bonding structure in ionic liquid mixtures by anion type

NASA Astrophysics Data System (ADS)

Cha, Seoncheol; Kim, Doseok

2018-05-01

Ionic liquid mixtures have gained attention as a way of tuning material properties continuously with composition changes. For some mixture systems, physicochemical properties such as excess molar volume have been found to be significantly different from the value expected by linear interpolation, but the origin of this deviation is not well understood yet. The microstructure of the mixture, which can range from an ideal mixture of two initial consisting ionic liquids to a different structure from those of pure materials, has been suggested as the origin of the observed deviation. The structures of several different ionic liquid mixtures are studied by IR spectroscopy to confirm this suggestion, as a particular IR absorption band (νC(2)-D) for the moiety participating in the hydrogen bonding changes sensitively with the change of the anion in the ionic liquid. The absorbance of νC(2)-D changes proportionally with the composition, and a relatively small excess molar volume is observed for the mixtures containing an electronegative halide anion. By contrast, the absorbance changes nonlinearly, and the excess molar volumes are larger for the mixtures of which one of the anions has multiple interaction sites.

Hydropyrolysis process

DOEpatents

Ullman, Alan Z.; Silverman, Jacob; Friedman, Joseph

1986-01-01

An improved process for producing a methane-enriched gas wherein a hydrogen-deficient carbonaceous material is treated with a hydrogen-containing pyrolysis gas at an elevated temperature and pressure to produce a product gas mixture including methane, carbon monoxide and hydrogen. The improvement comprises passing the product gas mixture sequentially through a water-gas shift reaction zone and a gas separation zone to provide separate gas streams of methane and of a recycle gas comprising hydrogen, carbon monoxide and methane for recycle to the process. A controlled amount of steam also is provided which when combined with the recycle gas provides a pyrolysis gas for treatment of additional hydrogen-deficient carbonaceous material. The amount of steam used and the conditions within the water-gas shift reaction zone and gas separation zone are controlled to obtain a steady-state composition of pyrolysis gas which will comprise hydrogen as the principal constituent and a minor amount of carbon monoxide, steam and methane so that no external source of hydrogen is needed to supply the hydrogen requirements of the process. In accordance with a particularly preferred embodiment, conditions are controlled such that there also is produced a significant quantity of benzene as a valuable coproduct.

Computer simulations of adsorption and diffusion for binary mixtures of methane and hydrogen in titanosilicates.

PubMed

Mitchell, Martha C; Gallo, Marco; Nenoff, Tina M

2004-07-22

Equilibrium molecular dynamics (MD) simulations of equimolar mixtures of hydrogen and methane were performed in three different titanosilicates: naturally occurring zorite and two synthetic titanosilicates, ETS-4 and ETS-10. In addition, single-component MD simulations and adsorption isotherms generated using grand canonical Monte Carlo simulations were performed to support the mixture simulations. The goal of this study was to determine the best membrane material to carry out hydrogen/methane separations. ETS-10 has a three-dimensional pore network. ETS-4 and zorite have two-dimensional pore networks. The simulations carried out in this study show that the increased porosity of ETS-10 results in self-diffusion coefficients for both hydrogen and methane that are higher in ETS-10 than in either ETS-4 or zorite. Methane only showed appreciable displacement in ETS-10. The ability of the methane molecules to move in all three directions in ETS-10 was demonstrated by the high degree of isotropy shown in the values of the x, y, and z components of the self-diffusion coefficient for methane in ETS-10. From our simulations we conclude that ETS-10 would be better suited for fast industrial separations of hydrogen and methane. However, the separation would not result in a pure hydrogen stream. In contrast, ETS-4 and zorite would act as true molecular sieves for separations of hydrogen and methane, as the methane would not move through membranes made of these materials. This was indicated by the near-zero self-diffusion coefficient of methane in ETS-4 and zorite.

Computer simulations of adsorption and diffusion for binary mixtures of methane and hydrogen in titanosilicates

NASA Astrophysics Data System (ADS)

Mitchell, Martha C.; Gallo, Marco; Nenoff, Tina M.

2004-07-01

Equilibrium molecular dynamics (MD) simulations of equimolar mixtures of hydrogen and methane were performed in three different titanosilicates: naturally occurring zorite and two synthetic titanosilicates, ETS-4 and ETS-10. In addition, single-component MD simulations and adsorption isotherms generated using grand canonical Monte Carlo simulations were performed to support the mixture simulations. The goal of this study was to determine the best membrane material to carry out hydrogen/methane separations. ETS-10 has a three-dimensional pore network. ETS-4 and zorite have two-dimensional pore networks. The simulations carried out in this study show that the increased porosity of ETS-10 results in self-diffusion coefficients for both hydrogen and methane that are higher in ETS-10 than in either ETS-4 or zorite. Methane only showed appreciable displacement in ETS-10. The ability of the methane molecules to move in all three directions in ETS-10 was demonstrated by the high degree of isotropy shown in the values of the x, y, and z components of the self-diffusion coefficient for methane in ETS-10. From our simulations we conclude that ETS-10 would be better suited for fast industrial separations of hydrogen and methane. However, the separation would not result in a pure hydrogen stream. In contrast, ETS-4 and zorite would act as true molecular sieves for separations of hydrogen and methane, as the methane would not move through membranes made of these materials. This was indicated by the near-zero self-diffusion coefficient of methane in ETS-4 and zorite.

Method for simultaneous recovery of hydrogen from water and from hydrocarbons

DOEpatents

Willms, R. Scott

1996-01-01

Method for simultaneous recovery of hydrogen and hydrogen isotopes from water and from hydrocarbons. A palladium membrane, when utilized in cooperation with a nickel catalyst in a reactor, has been found to drive reactions such as water gas shift, steam reforming and methane cracking to substantial completion by removing the product hydrogen from the reacting mixture. In addition, ultrapure hydrogen is produced, thereby eliminating the need for an additional processing step.

Viscosity Difference Measurements for Normal and Para Liquid Hydrogen Mixtures

NASA Technical Reports Server (NTRS)

Webeler, R.; Bedard, F.

1961-01-01

The absence of experimental data in the literature concerning a viscosity difference for normal and equilibrium liquid hydrogen may be attributed to the limited reproducibility of "oscillating disk" measurements in a liquid-hydrogen environment. Indeed, there is disagreement over the viscosity values for equilibrium liquid hydrogen even without proton spin considerations. Measurements presented here represent the first application of the piezoelectric alpha quartz torsional oscillator technique to liquid-hydrogen viscosity measurements.

Polychlorinated biphenyls degradation in subcritical water

NASA Astrophysics Data System (ADS)

Doctor, Ninad; Yang, Larry; Yang, Yu

2017-08-01

In this work, the degradation of PCB-118, PCB-156, and PCB-180 congeners under subcritical conditions has been investigated. Stainless reaction vessels were used to carry out the heating of reaction mixtures. Liquid-liquid extraction of the reaction mixtures was conducted prior to GC analysis. Approximately 30% PCBs were degraded by 30% hydrogen peroxide after 24 hours of reaction time but without heating the mixtures. The percent degradation of PCBs was however improved to approximately 60% after heating the mixtures at 300 °C for an hour. In general, the PCB degradation efficiency was enhanced by increasing the reaction temperature from 300 and 350 °C. The percent degradation of PCBs was mostly improved by increasing the heating time from 1 hour to 6 hours. In addition, increasing the percentage of hydrogen peroxide significantly increases the rate of PCB destruction.

Booster propulsion/vehicle impact study, 2

NASA Technical Reports Server (NTRS)

Johnson, P.; Satterthwaite, S.; Carson, C.; Schnackel, J.

1988-01-01

This is the final report in a study examining the impact of launch vehicles for various boost propulsion design options. These options included: differing boost phase engines using different combinations of fuels and coolants to include RP-1, methane, propane (subcooled and normal boiling point), and hydrogen; variable and high mixture ratio hydrogen engines; translating nozzles on boost phase engines; and cross feeding propellants from the booster to second stage. Vehicles examined included a fully reusable two stage cargo vehicle and a single stage to orbit vehicle. The use of subcooled propane as a fuel generated vehicles with the lowest total vehicle dry mass. Engines with hydrogen cooling generated only slight mass reductions from the reference, all-hydrogen vehicle. Cross feeding propellants generated the most significant mass reductions from the reference two stage vehicle. The use of high mixture ratio or variable mixture ratio hydrogen engines in the boost phase of flight resulted in vehicles with total dry mass 20 percent greater than the reference hydrogen vehicle. Translating nozzles for boost phase engines generated a heavier vehicle. Also examined were the design impacts on the vehicle and ground support subsystems when subcooled propane is used as a fuel. The most significant cost difference between facilities to handle normal boiling point versus subcooled propane is 5 million dollars. Vehicle cost differences were negligible. A significant technical challenge exists for properly conditioning the vehicle propellant on the ground and in flight when subcooled propane is used as fuel.

Investigation of shock-induced combustion past blunt projectiles

NASA Technical Reports Server (NTRS)

Ahuja, J. K.; Tiwari, S. N.

1996-01-01

A numerical study is conducted to simulate shock-induced combustion in premixed hydrogen-air mixtures at various free-stream conditions and parameters. Two-dimensional axisymmetric, reacting viscous flow over blunt projectiles is computed to study shock-induced combustion at Mach 5.11 and Mach 6.46 in hydrogen-air mixture. A seven-species, seven reactions finite rate hydrogen-air chemical reaction mechanism is used combined with a finite-difference, shock-fitting method to solve the complete set of Navier-Stokes and species conservation equations. The study has allowed an improved understanding of the physics of shock-induced combustion over blunt projectiles and the numerical results can now be explained more readily with one-dimensional wave-interaction model.

Robust, Reliable Low Emission Gas Turbine Combustion of High Hydrogen Content Fuels

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

Wooldridge, Margaret Stacy; Im, Hong Geum

2016-12-16

The effects of high hydrogen content fuels were studied using experimental, computational and theoretical approaches to understand the effects of mixture and state conditions on the ignition behavior of the fuels. A rapid compression facility (RCF) was used to measure the ignition delay time of hydrogen and carbon monoxide mixtures. The data were combined with results of previous studies to develop ignition regime criteria. Analytical theory and direct numerical simulation were used to validate and interpret the RCF ignition data. Based on the integrated information the ignition regime criteria were extended to non-dimensional metrics which enable application of the resultsmore » to practical gas turbine combustion systems.« less

Thermochemical generation of hydrogen and oxygen from water. [NaMnO/sub 2/ and TiO/sub 2/

DOEpatents

Robinson, P.R.; Bamberger, C.E.

1980-02-08

A thermochemical cyclic process for the production of hydrogen exploits the reaction between sodium manganate (NaMnO/sub 2/) and titanium dioxide (TiO/sub 2/) to form sodium titanate (Na/sub 2/TiO/sub 3/), manganese (II) titanate (MnTiO/sub 3/) and oxygen. The titanate mixture is treated with sodium hydroxide, in the presence of steam, to form sodium titanate, sodium manganate (III), water and hydrogen. The sodium titanate-manganate (III) mixture is treated with water to form sodium manganate (III), titanium dioxide and sodium hydroxide. Sodium manganate (III) and titanium dioxide are recycled following dissolution of sodium hydroxide in water.

On chemical inhibition of shock wave ignition of hydrogen-oxygen mixtures

NASA Astrophysics Data System (ADS)

Drakon, A. V.; Eremin, A. V.; Mikheyeva, E. Yu

2018-01-01

In this work an influence of the wide range of various inhibitors, namely CCl4, CF3H, C2F4Br2, (CH3O)3P, CF3I and C3F7I on shock-induced ignition of hydrogen was experimentally investigated. Observed temperature dependencies of induction times indicates that CF3H and (CH3O)3P do not show noticeable inhibiting activity at given conditions, while the effectiveness of halogen-containing specie dramatically increases in a row Cl → Br → I. It is shown that the most effective inhibitors of ignition of hydrogen-oxygen mixtures are iodinated hydrocarbons CF3I and C3F7I.

Combustion Characteristics of Nanoaluminum, Liquid Water, and Hydrogen Peroxide Mixtures

DTIC Science & Technology

2008-01-01

Sabourin a, Richard A. Yetter a, Grant A. Risha b, Steven F. Son c and B. C. Tappan d a The Pennsylvania State University, University Park, PA, USA b...www.elsevier.com/locate/combustflame Combustion characteristics of nanoaluminum, liquid water, and hydrogen peroxide mixtures J.L. Sabourin a,∗, G.A. Risha b...Efficiency* Corresponding author. Fax: +1 (814) 865 3389. E-mail address: jls861@psu.edu (J.L. Sabourin ).0010-2180/$ – see front matter © 2008 The Combustion

Blending Hydrogen into Natural Gas Pipeline Networks: A Review of Key Issues

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

Melaina, M. W.; Antonia, O.; Penev, M.

2013-03-01

The United States has 11 distinct natural gas pipeline corridors: five originate in the Southwest, four deliver natural gas from Canada, and two extend from the Rocky Mountain region. This study assesses the potential to deliver hydrogen through the existing natural gas pipeline network as a hydrogen and natural gas mixture to defray the cost of building dedicated hydrogen pipelines.

Reduced-order modellin for high-pressure transient flow of hydrogen-natural gas mixture

NASA Astrophysics Data System (ADS)

Agaie, Baba G.; Khan, Ilyas; Alshomrani, Ali Saleh; Alqahtani, Aisha M.

2017-05-01

In this paper the transient flow of hydrogen compressed-natural gas (HCNG) mixture which is also referred to as hydrogen-natural gas mixture in a pipeline is numerically computed using the reduced-order modelling technique. The study on transient conditions is important because the pipeline flows are normally in the unsteady state due to the sudden opening and closure of control valves, but most of the existing studies only analyse the flow in the steady-state conditions. The mathematical model consists in a set of non-linear conservation forms of partial differential equations. The objective of this paper is to improve the accuracy in the prediction of the HCNG transient flow parameters using the Reduced-Order Modelling (ROM). The ROM technique has been successfully used in single-gas and aerodynamic flow problems, the gas mixture has not been done using the ROM. The study is based on the velocity change created by the operation of the valves upstream and downstream the pipeline. Results on the flow characteristics, namely the pressure, density, celerity and mass flux are based on variations of the mixing ratio and valve reaction and actuation time; the ROM computational time cost advantage are also presented.

Physicochemical properties of betaine monohydrate-carboxylic acid mixtures

NASA Astrophysics Data System (ADS)

Zahrina, I.; Nasikin, M.; Mulia, K.

2018-05-01

Green solvents are widely used to minimize environmental problems associated with the use of volatile organic solvents in many industries. DES are new green solvents in recent. The physicochemical properties of DES can be varied by properly combining of salts with different hydrogen bond donors. The objective of this work is to investigate the effect of varying molar ratios on the physicochemical properties of betaine monohydrate-carboxylic acid (i.e,. propionic or acetic acid) mixtures. Properties of mixtures were measured at 40°C. The viscosity, polarity scale (ENR), density, pH, and water content tend to decrease with the decrease in a molar ratio of betaine monohydrate to acid. Conversely, the ionic conductivity was increased. The physicochemical properties of these mixtures depend on the hydrogen bonding interactions between betaine, water and acid molecules. Betaine monohydratecarboxylic acid mixtures have wide range of polarity, low viscosity, high ionic conductivity, and density higher than 1 g·cm-3 that make them fit for numerous various applications. Additionally, due to these mixtures have acidic pH, it should be properly selected of metal type to minimize corrosion problems in industrial application.

Synthesis of C60H2 by rhodium-catalyzed hydrogenation of C60

NASA Technical Reports Server (NTRS)

Becker, L.; Evans, T. P.; Bada, J. L.; Miller, S. L. (Principal Investigator)

1993-01-01

Reduction of C60 with rhodium(0) on alumina and hydrogen in deuterated benzene (C6D6) at ambient temperature and pressure yields a mixture of hydrogenated compounds; C60H2 has been characterized as the major product in 14% yield based on 1H NMR.

Sulfur tolerant molten carbonate fuel cell anode and process

DOEpatents

Remick, Robert J.

1990-01-01

Molten carbonate fuel cell anodes incorporating a sulfur tolerant carbon monoxide to hydrogen water-gas-shift catalyst provide in situ conversion of carbon monoxide to hydrogen for improved fuel cell operation using fuel gas mixtures of over about 10 volume percent carbon monoxide and up to about 10 ppm hydrogen sulfide.

Recovery of anhydrous hydrogen iodide

DOEpatents

O'Keefe, Dennis R.; McCorkle, Jr., Kenneth H.; de Graaf, Johannes D.

1982-01-01

Relatively dry hydrogen iodide can be recovered from a mixture of HI, I.sub.2 and H.sub.2 O. After the composition of the mixture is adjusted so that the amounts of H.sub.2 O and I.sub.2 do not exceed certain maximum limits, subjection of the mixture to superatmospheric pressure in an amount equal to about the vapor pressure of HI at the temperature in question causes distinct liquid phases to appear. One of the liquid phases contains HI and not more than about 1 weight percent water. Often the adjustment in the composition will include the step of vaporization, and the distinct layers appear following the increase in pressure of the vapor mixture. Adjustment in the composition may also include the addition of an extraction agent, such as H.sub.3 PO.sub.4, and even though the adjusted composition mixture contains a significant amount of such an agent, the creation of the distinct liquid phases is not adversely affected.

Influence of propane additives on the detonation characteristics of H2-air mixtures

NASA Astrophysics Data System (ADS)

Cheng, Guanbing; Bauer, Pascal; Zitoun, Ratiba

2014-03-01

Hydrogen is more and more considered as a potential fuel for propulsion applications. However, due to its low ignition energy and wide flammability limits, H2-air mixtures raise a concern in terms of safety. This aspect can be partly solved by adding an alkane to these mixtures, which plays the role of an inhibitor. The present paper provides data on such binary fuel-air mixtures where various amounts of propane are added to hydrogen. The behavior of the corresponding mixtures, in terms of detonation characteristics and other fundamental properties, such as the cell size of the detonation front and induction delay, are presented and discussed for a series of equivalence ratios and propane addition. The experimental detonation velocity is in good agreement with calculated theoretical Chapman-Jouguet values. Based on soot tracks records, the cell size λ is measured, whereas the induction length L i is derived from data using a GRI-Mech kinetic mechanism. These data allow providing a value of the coefficient K = λ/L i .

Statistical mechanics of light elements at high pressure. VII - A perturbative free energy for arbitrary mixtures of H and He

NASA Technical Reports Server (NTRS)

Hubbard, W. B.; Dewitt, H. E.

1985-01-01

A model free energy is presented which accurately represents results from 45 high-precision Monte Carlo calculations of the thermodynamics of hydrogen-helium mixtures at pressures of astrophysical and planetophysical interest. The free energy is calculated using free-electron perturbation theory (dielectric function theory), and is an extension of the expression given in an earlier paper in this series. However, it fits the Monte Carlo results more accurately, and is valid for the full range of compositions from pure hydrogen to pure helium. Using the new free energy, the phase diagram of mixtures of liquid metallic hydrogen and helium is calculated and compared with earlier results. Sample results for mixing volumes are also presented, and the new free energy expression is used to compute a theoretical Jovian adiabat and compare the adiabat with results from three-dimensional Thomas-Fermi-Dirac theory. The present theory gives slightly higher densities at pressures of about 10 megabars.

Method for converting hydrocarbon fuel into hydrogen gas and carbon dioxide

DOEpatents

Clawson, Lawrence G.; Mitchell, William L.; Bentley, Jeffrey M.; Thijssen, Johannes H. J.

2000-01-01

A method for converting hydrocarbon fuel into hydrogen gas and carbon dioxide within a reformer 10 is disclosed. According to the method, a stream including an oxygen-containing gas is directed adjacent to a first vessel 18 and the oxygen-containing gas is heated. A stream including unburned fuel is introduced into the oxygen-containing gas stream to form a mixture including oxygen-containing gas and fuel. The mixture of oxygen-containing gas and unburned fuel is directed tangentially into a partial oxidation reaction zone 24 within the first vessel 18. The mixture of oxygen-containing gas and fuel is further directed through the partial oxidation reaction zone 24 to produce a heated reformate stream including hydrogen gas and carbon monoxide. Steam may also be mixed with the oxygen-containing gas and fuel, and the reformate stream from the partial oxidation reaction zone 24 directed into a steam reforming zone 26. High- and low-temperature shift reaction zones 64,76 may be employed for further fuel processing.

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

NASA Astrophysics Data System (ADS)

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

2017-07-01

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

Experimental investigation of syngas flame stability using a multi-tube fuel injector in a high pressure combustor

NASA Astrophysics Data System (ADS)

Maldonado, Sergio Elzar

Over 92% of the coal consumed by power plants is used to generate electricity in the United States (U.S.). The U.S. has the world's largest recoverable reserves of coal, it is estimated that reserves of coal will last more than 200 years based in current production and demand levels. Integrated Gasification Combined Cycle (IGCC) power plants aim to reduce the amount of pollutants by gasifying coal and producing synthesis gas. Synthesis gas, also known as syngas, is a product of coal gasification and can be used in gas turbines for energy production. Syngas is primarily a mixture of hydrogen and carbon monoxide and is produced by gasifying a solid fuel feedstock such as coal or biomass. The objective of the thesis is to create a flame stability map by performing various experiments using high-content hydrogen fuels with varying compositions of hydrogen representing different coal feedstocks. The experiments shown in this thesis were performed using the High-Pressure Combustion facility in the Center for Space Exploration Technology Research (CSETR) at the University of Texas at El Paso (UTEP). The combustor was fitted with a novel Multi-Tube fuel Injector (MTI) designed to improve flame stability. This thesis presents the results of testing of syngas fuels with compositions of 20, 30, and 40% hydrogen concentrations in mixtures with carbon monoxide. Tests were completed for lean conditions ranging from equivalence ratios between 0.6 and 0.9. The experimental results showed that at an equivalence ratio of 0.6, a stable flame was not achieved for any of the fuel mixtures tested. It was also observed that the stability region of the syngas flame increased as equivalence ratio and the hydrogen concentration in syngas fuel increases with the 40% hydrogen-carbon monoxide mixture demonstrating the greatest stability region. Design improvements to the MTI are also discussed as part of the future work on this topic.

Photochemical processes on Titan: Irradiation of mixtures of gases that simulate Titan's atmosphere

NASA Astrophysics Data System (ADS)

Tran, Buu N.; Joseph, Jeffrey C.; Force, Michael; Briggs, Robert G.; Vuitton, Veronique; Ferris, James P.

2005-09-01

Photochemical reaction pathways in Titan's atmosphere were investigated by irradiation of the individual components and the mixture containing nitrogen, methane, hydrogen, acetylene, ethylene, and cyanoacetylene. The quantum yields for the loss of the reactants and the formation of products were determined. Photolysis of ethylene yields mainly saturated compounds (ethane, propane, and butane) while photolysis of acetylene yields the same saturated compounds as well as ethylene and diacetylene. Irradiation of cyanoacetylene yields mainly hydrogen cyanide and small amounts of acetonitrile. When an amount of methane corresponding to its mixing ratio on Titan was added to these mixtures the quantum yields for the loss of reactants decreased and the quantum yields for hydrocarbon formation increased indicative of a hydrogen atom abstraction from methane by the photochemically generated radicals. GC/MS analysis of the products formed by irradiation of mixtures of all these gases generated over 120 compounds which were mainly aliphatic hydrocarbons containing double and triple bonds along with much smaller amounts of aromatic compounds like benzene, toluene and phenylacetylene. The reaction pathways were investigated by the use of 13C acetylene in these gas mixtures. No polycyclic aromatic compounds were detected. Vapor pressures of these compounds under conditions present in Titan's atmosphere were calculated. The low molecular weight compounds likely to be present in the atmosphere and aerosols of Titan as a result of photochemical processes are proposed.

Hydrous pyrolysis of polycyclic aromatic hydrocarbons and implications for the origin of PAH in hydrothermal petroleum

NASA Technical Reports Server (NTRS)

McCollom, T. M.; Simoneit, B. R.; Shock, E. L.

1999-01-01

Polycyclic aromatic hydrocarbons (PAH) are found at high concentrations in thermally altered organic matter and hydrothermally generated petroleum from sediment-covered seafloor hydro-thermal systems. To better understand the factors controlling the occurrence of PAH in thermally altered environments, the reactivities of two PAH, phenanthrene and anthracene, were investigated in hydrothermal experiments. The compounds were heated with water at 330 degrees C in sealed reaction vessels for durations ranging from 1 to 17 days. Iron oxide and sulfide minerals, formic acid, or sodium for-mate were included in some experiments to vary conditions within the reaction vessel. Phenanthrene was unreactive both in water alone and in the presence of minerals for up to 17 days, while anthracene was partially hydrogenated (5-10%) to di- and tetrahydroanthracene. In the presence of 6-21 vol % formic acid, both phenanthrene and anthracene reacted extensively to form hydrogenated and minor methylated derivatives, with the degree of hydrogenation and methylation increasing with the amount of formic acid. Phenanthrene was slightly hydrogenated in sodium formate solutions. The hydrogenation reactions could be readily reversed; heating a mixture of polysaturated phenanthrenes resulted in extensive dehydrogenation (aromatization) after 3 days at 330 degrees C. While the experiments demonstrate that reaction pathways for the hydrogenation of PAH under hydrothermal conditions exist, the reactions apparently require higher concentrations of H2 than are typical of geologic settings. The experiments provide additional evidence that PAH may be generated in hydrothermal systems from progressive aromatization and dealkylation of biologically derived polycyclic precursors such as steroids and terpenoids. Furthermore, the results indicate that PAH initially present in sediments or formed within hydrothermal systems are resistant to further thermal degradation during hydrothermal alteration.

Hydrogen bonded structure, polarity, molecular motion and frequency fluctuations at liquid-vapor interface of a water-methanol mixture: an ab initio molecular dynamics study.

PubMed

Choudhuri, Jyoti Roy; Chandra, Amalendu

2014-10-07

We have performed ab initio molecular dynamics simulations of a liquid-vapor interfacial system consisting of a mixture of water and methanol molecules. Detailed results are obtained for the structural and dynamical properties of the bulk and interfacial regions of the mixture. Among structural properties, we have looked at the inhomogeneous density profiles of water and methanol molecules, hydrogen bond distributions and also the orientational profiles of bulk and interfacial molecules. The methanol molecules are found to have a higher propensity to be at the interface than water molecules. It is found that the interfacial molecules show preference for specific orientations so as to form water-methanol hydrogen bonds at the interface with the hydrophobic methyl group pointing towards the vapor side. It is also found that for both types of molecules, the dipole moment decreases at the interface. It is also found that the local electric field of water influences the dipole moment of methanol molecules. Among the dynamical properties, we have calculated the diffusion, orientational relaxation, hydrogen bond dynamics, and vibrational frequency fluctuations in bulk and interfacial regions. It is found that the diffusion and orientation relaxation of the interfacial molecules are faster than those of the bulk. However, the hydrogen bond lifetimes are longer at the interface which can be correlated with the time scales found from the decay of frequency time correlations. The slower hydrogen bond dynamics for the interfacial molecules with respect to bulk can be attributed to diminished cooperative effects at the interface due to reduced density and number of hydrogen bonds.

An experimental and detailed chemical kinetic modeling study of hydrogen and syngas mixture oxidation at elevated pressures

DOE PAGES

Keromnes, Alan; Metcalfe, Wayne K.; Heufer, Karl A.; ...

2013-03-12

The oxidation of syngas mixtures was investigated experimentally and simulated with an updated chemical kinetic model. Ignition delay times for H 2/CO/O 2/N 2/Ar mixtures have been measured using two rapid compression machines and shock tubes at pressures from 1 to 70 bar, over a temperature range of 914–2220 K and at equivalence ratios from 0.1 to 4.0. Results show a strong dependence of ignition times on temperature and pressure at the end of the compression; ignition delays decrease with increasing temperature, pressure, and equivalence ratio. The reactivity of the syngas mixtures was found to be governed by hydrogen chemistrymore » for CO concentrations lower than 50% in the fuel mixture. For higher CO concentrations, an inhibiting effect of CO was observed. Flame speeds were measured in helium for syngas mixtures with a high CO content and at elevated pressures of 5 and 10 atm using the spherically expanding flame method. A detailed chemical kinetic mechanism for hydrogen and H 2/CO (syngas) mixtures has been updated, rate constants have been adjusted to reflect new experimental information obtained at high pressures and new rate constant values recently published in the literature. Experimental results for ignition delay times and flame speeds have been compared with predictions using our newly revised chemical kinetic mechanism, and good agreement was observed. In the mechanism validation, particular emphasis is placed on predicting experimental data at high pressures (up to 70 bar) and intermediate- to high-temperature conditions, particularly important for applications in internal combustion engines and gas turbines. The reaction sequence H 2 + HO˙ 2 ↔ H˙+H 2O 2 followed by H 2O 2(+M) ↔ O˙H+O˙H(+M) was found to play a key role in hydrogen ignition under high-pressure and intermediate-temperature conditions. The rate constant for H 2+HO˙ 2 showed strong sensitivity to high-pressure ignition times and has considerable uncertainty, based on literature values. As a result, a rate constant for this reaction is recommended based on available literature values and on our mechanism validation.« less

Deep eutectic solvents: similia similibus solvuntur?

PubMed

Zahn, Stefan

2017-02-01

Deep eutectic solvents, mixtures of an organic compound and a salt with a deep eutectic melting point, are promising cheap and eco-friendly alternatives to ionic liquids. Ab initio molecular dynamics simulations of reline, a mixture consisting of urea and choline chloride, reveal that not solely hydrogen bonds allow similar interactions between both constituents. The chloride anion and the oxygen atom of urea also show a similar spatial distribution close to the cationic core of choline due to a similar charge located on both atoms. As a result of multiple similar interactions, clusters migrating together cannot be observed in reline which supports the hypothesis similia similibus solvuntur. In contrast to previous suggestions, the interaction of the hydroxyl group of choline with a hydrogen bond acceptor is overall rigid. Fast hydrogen bond acceptor dynamics is facilitated by the hydrogen atoms in the trans position to the carbonyl group of urea which contributes to the low melting point of reline.

Catalytic ignition of hydrogen/oxygen

NASA Technical Reports Server (NTRS)

Green, James M.; Zurawski, Robert L.

1988-01-01

An experimental program was conducted to evaluate the catalytic ignition of gaseous hydrogen and oxygen. Shell 405 granular catalyst and a unique monolithic sponge catalyst were tested. Mixture ratio, mass flow rate, propellant inlet temperature, and back pressure were varied parametrically in testing to determine the operational limits of a catalytic igniter. The test results showed that the gaseous hydrogen/oxygen propellant combination can be ignited catalytically using Shell 405 catalyst over a wide range of mixture ratios, mass flow rates, and propellant injection temperatures. These operating conditions must be optimized to ensure reliable ignition for an extended period of time. The results of the experimental program and the established operational limits for a catalytic igniter using both the granular and monolithic catalysts are presented. The capabilities of a facility constructed to conduct the igniter testing and the advantages of a catalytic igniter over other ignition systems for gaseous hydrogen and oxygen are also discussed.

Sensor for measuring hydrogen partial pressure in parabolic trough power plant expansion tanks

NASA Astrophysics Data System (ADS)

Glatzmaier, Greg C.; Cooney, Daniel A.

2017-06-01

The National Renewable Energy Laboratory and Acciona Energy North America are working together to design and implement a process system that provides a permanent solution to the issue of hydrogen buildup at parabolic trough power plants. We are pursuing a method that selectively removes hydrogen from the expansion tanks that serve as reservoirs for the heat transfer fluid (HTF) that circulates in the collector field and power block components. Our modeling shows that removing hydrogen from the expansion tanks at a design rate reduces and maintains dissolved hydrogen in the circulating HTF to a selected target level. Our collaborative work consists of several tasks that are needed to advance this process concept to a development stage, where it is ready for implementation at a commercial power plant. Our main effort is to design and evaluate likely process-unit operations that remove hydrogen from the expansion tanks at a specified rate. Additionally, we designed and demonstrated a method and instrumentation to measure hydrogen partial pressure and concentration in the expansion-tank headspace gas. We measured hydrogen partial pressure in the headspace gas mixture using a palladium-alloy membrane, which is permeable exclusively to hydrogen. The membrane establishes a pure hydrogen gas phase that is in equilibrium with the hydrogen in the gas mixture. We designed and fabricated instrumentation, and demonstrated its effectiveness in measuring hydrogen partial pressures over a range of three orders of magnitude. Our goal is to install this instrument at the Nevada Solar One power plant and to demonstrate its effectiveness in measuring hydrogen levels in the expansion tanks under normal plant operating conditions.

Process for hydrogenation of hydrocarbon tars

DOEpatents

Dolbear, Geoffrey E.

1978-07-18

Hydrocarbon tars of high asphaltene content such as tars obtained from pyrolysis of coal are dissolved in a solvent formed from the hydrogenation of the coal tars, and the resultant mixture hydrogenated in the presence of a catalyst at a pressure from about 1500 to 5000 psig at a temperature from about 500.degree. F to about the critical temperature of the solvent to form a light hydrocarbon as a solvent for the tars. Hydrogen content is at least three times the amount of hydrogen consumed.

Catalyzed borohydrides for hydrogen storage

DOEpatents

Au, Ming [Augusta, GA

2012-02-28

A hydrogen storage material and process is provided in which alkali borohydride materials are created which contain effective amounts of catalyst(s) which include transition metal oxides, halides, and chlorides of titanium, zirconium, tin, and combinations of the various catalysts. When the catalysts are added to an alkali borodydride such as a lithium borohydride, the initial hydrogen release point of the resulting mixture is substantially lowered. Additionally, the hydrogen storage material may be rehydrided with weight percent values of hydrogen at least about 9 percent.

Thermodynamics of hydrogen-helium mixtures at high pressure and finite temperature

NASA Technical Reports Server (NTRS)

Hubbard, W. B.

1972-01-01

A technique is reviewed for calculating thermodynamic quantities for mixtures of light elements at high pressure, in the metallic state. Ensemble averages are calculated with Monte Carlo techniques and periodic boundary conditions. Interparticle potentials are assumed to be coulombic, screened by the electrons in dielectric function theory. This method is quantitatively accurate for alloys at pressures above about 10 Mbar. An alloy of equal parts hydrogen and helium by mass appears to remain liquid and mixed for temperatures above about 3000 K, at pressures of about 15 Mbar. The additive volume law is satisfied to within about 10%, but the Gruneisen equation of state gives poor results. A calculation at 1300 K shows evidence of a hydrogen-helium phase separation.

Intensification process of air-hydrogen mixture burning in the variable cross section channel by means of the air jet

NASA Astrophysics Data System (ADS)

Zamuraev, V. P.; Kalinina, A. P.

2018-03-01

The paper presents the results of numerical modeling of a transonic region formation in the flat channel. Hydrogen flows into the channel through the holes in the wall. The jet of compressed air is localized downstream the holes. The transonic region formation is formed by the burning of heterogeneous hydrogen-air mixture. It was considered in the framework of the simplified chemical kinetics. The interesting feature of the regime obtained is the following: the distribution of the Mach numbers is qualitatively similar to the case of pulse-periodic energy sources. This mode is a favorable prerequisite for the effective fuel combustion in the expanding part of the channel when injecting fuel into this part.

Hydrogen considerations in light-water power reactons

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

Keilholtz, G.W.

1976-02-01

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

Reactions of O/1D/ with methane and ethane.

NASA Technical Reports Server (NTRS)

Lin, C.-L.; Demore, W. B.

1973-01-01

Mixtures of nitrous oxide and methane and mixtures of nitrous oxide and ethane were photolyzed with 1849-A light. The reaction products were analyzed chromatographically. It was found that the reaction of the excited atomic oxygen with methane gives mainly CH3 and OH radicals as initial products, along with about 9% of formaldehyde and molecular hydrogen. The reaction of the excited atomic oxygen with ethane gives C2H5, OH, CH3 and CH2OH as major initial products, with only a few per cent of molecular hydrogen.

Self-association and base pairing of guanosine, cytidine, adenosine, and uridine in dimethyl sulfoxide solution measured by 15N nuclear magnetic resonance spectroscopy.

PubMed Central

Dyllick-Brenzinger, C; Sullivan, G R; Pang, P P; Roberts, J D

1980-01-01

The self-association of guanosine, cytidine, and adenosine and base pairing between guanosine, cytidine, adenosine, and uridine in dimethyl sulfoxide have been investigated by the variation of their 15N NMR chemical shifts with concentration and temperature. Guanosine, cytidine, and adenosine all showed evidence of self-association by hydrogen bonding. In guanosine/cytidine mixtures, a hydrogen-bonded dimer is formed; however, no base pairing could be detected with adenosine/cytidine or adenosine/uridine mixtures. PMID:6932658

PROCESS OF MAKING SHAPED FUEL FOR NUCLEAR REACTORS

DOEpatents

O'Leary, W.J.; Fisher, E.A.

1964-02-11

A process for making uranium dioxide fuel of great strength, density, and thermal conductivity by mixing it with 0.1 to 1% of a densifier oxide (tin, aluminum, zirconium, ferric, zinc, chromium, molybdenum, titanium, or niobium oxide) and with a plasticizer (0.5 to 3% of bentonite and 0.05 to 2% of methylcellulose, propylene glycol alginate, or ammonium alginate), compacting the mixture obtained, and sintering the bodies in an atmosphere of carbon monoxide or carbon dioxide, with or without hydrogen, or of a nitrogen-hydrogen mixture is described. (AEC)

Catalysts and process for liquid hydrocarbon fuel production

DOEpatents

White, Mark G; Liu, Shetian

2014-12-09

The present invention provides a novel process and system in which a mixture of carbon monoxide and hydrogen synthesis gas, or syngas, is converted into hydrocarbon mixtures composed of high quality gasoline components, aromatic compounds, and lower molecular weight gaseous olefins in one reactor or step. The invention utilizes a novel molybdenum-zeolite catalyst in high pressure hydrogen for conversion, as well as a novel rhenium-zeolite catalyst in place of the molybdenum-zeolite catalyst, and provides for use of the novel catalysts in the process and system of the invention.

Polymer system for gettering hydrogen

DOEpatents

Shepodd, Timothy Jon; Whinnery, LeRoy L.

2000-01-01

A novel composition comprising organic polymer molecules having carbon-carbon double bonds, for removing hydrogen from the atmosphere within enclosed spaces. Organic polymers molecules containing carbon-carbon double bonds throughout their structures, preferably polybutadiene, polyisoprene and derivatives thereof, intimately mixed with an insoluble catalyst composition, comprising a hydrogenation catalyst and a catalyst support, preferably Pd supported on carbon, provide a hydrogen getter composition useful for removing hydrogen from enclosed spaces even in the presence of contaminants such as common atmospheric gases, water vapor, carbon dioxide, ammonia, oil mists, and water. The hydrogen getter composition disclosed herein is particularly useful for removing hydrogen from enclosed spaces containing potentially explosive mixtures of hydrogen and oxygen.

Polymer formulations for gettering hydrogen

DOEpatents

Shepodd, Timothy Jon; Whinnery, LeRoy L.

1998-11-17

A novel composition comprising organic polymer molecules having carbon-carbon double bonds, for removing hydrogen from the atmosphere within enclosed spaces. Organic polymers molecules containing carbon-carbon double bonds throughout their structures, preferably polybutadiene, polyisoprene and derivatives thereof, intimately mixed with an insoluble catalyst composition, comprising a hydrogenation catalyst and a catalyst support, preferably Pd supported on carbon, provide a hydrogen getter composition useful for removing hydrogen from enclosed spaces even in the presence of contaminants such as common atmospheric gases, water vapor, carbon dioxide, ammonia, oil mists, and water. The hydrogen getter composition disclosed herein is particularly useful for removing hydrogen from enclosed spaces containing potentially explosive mixtures of hydrogen and oxygen.

Hot Jet Ignition Delay Characterization of Methane and Hydrogen at Elevated Temperatures

NASA Astrophysics Data System (ADS)

Tarraf Kojok, Ali

This study contributes to a better understanding of ignition by hot combustion gases which finds application in internal combustion chambers with pre-chamber ignition as well as in wave rotor engine applications. The experimental apparatus consists of two combustion chambers: a pre chamber that generates the transient hot jet of gas and a main chamber which contains the main fuel air blend under study. Variables considered are three fuel mixtures (Hydrogen, Methane, 50% Hydrogen-Methane), initial pressure in the pre-chamber ranging from 1 to 2 atm, equivalence ratio of the fuel air mixture in the main combustion chamber ranging from 0.4 to 1.5, and initial temperature of the main combustion chamber mixture ranging from 297 K to 500 K. Experimental data makes use of 4 pressure sensors with a recorded sampling rate up to 300 kHz, as well as high speed Schlieren imaging with a recorded frame rate up to 20,833 frame per seconds. Results shows an overall increase in ignition delay with increasing equivalence ratio. High temperature of the main chamber blend was found not to affect hot jet ignition delay considerably. Physical mixing effects, and density of the main chamber mixture have a greater effect on hot jet ignition delay.

Mixed-culture H2 fermentation performance and the relation between microbial community composition and hydraulic retention times for a fixed bed reactor fed with galactose/glucose mixtures.

PubMed

Anburajan, Parthiban; Park, Jong-Hun; Sivagurunathan, Periyasamy; Pugazhendhi, Arivalagan; Kumar, Gopalakrishnan; Choi, Chang-Su; Kim, Sang-Hyoun

2017-09-01

This study examined the mesophilic continuous biohydrogen fermentation from galactose and glucose mixture with an initial substrate concentration of 15 g/L (galactose 12 g/L and glucose 3 g/L) as a resembling carbon source of pretreated red algal hydrolyzate. A fixed bed reactor was fed with the sugar mixture at various hydraulic retention times (HRTs) ranging 12 to 1.5 h. The maximum hydrogen production rate of 52.6 L/L-d was found at 2 h HRT, while the maximum hydrogen yield of 2.3±0.1 mol/mol hexose added, was achieved at 3 h HRT. Microbial communities and species distribution were analyzed via quantitative polymerase chain reaction (qPCR) and the dominant bacterial population was found as Clostridia followed by Lactobacillus sp. Packing material retained higher 16S rRNA gene copy numbers of total bacteria and Clostridium butyricum fraction compared to fermentation liquor. The finding of the study has demonstrated that H 2 production from galactose and glucose mixture could be a viable approach for hydrogen production. Copyright © 2017 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

Ultrafast shock compression of an oxygen-balanced mixture of nitromethane and hydrogen peroxide.

PubMed

Armstrong, Michael R; Zaug, Joseph M; Grant, Christian D; Crowhurst, Jonathan C; Bastea, Sorin

2014-08-14

We apply ultrafast optical interferometry to measure the Hugoniot of an oxygen-balanced mixture of nitromethane and hydrogen peroxide (NM/HP) and compare with Hugoniot data for pure nitromethane (NM) and a 90% hydrogen peroxide/water mixture (HP), as well as theoretical predictions. We observe a 2.1% percent mean pairwise difference between the measured shockwave speed (at the measured piston speed) in unreacted NM/HP and the corresponding "universal" liquid Hugoniot, which is larger than the average standard deviation of our data, 1.4%. Unlike the Hugoniots of both HP and NM, in which measured shock speeds deviate to values greater than the unreacted Hugoniot for piston speeds larger than the respective reaction thresholds, in the NM/HP mixture we observe shock speed deviations to values lower than the unreacted Hugoniot well below the von Neumann pressure (≈28 GPa). Although the trend should reverse for high enough piston speeds, the initial behavior is unexpected. Possible explanations range from mixing effects to a complex index of refraction in the reacted solution. If this is indeed a signature of chemical initiation, it would suggest that the process may not be kinetically limited (on a ~100 ps time scale) between the initiation threshold and the von Neumann pressure.

Study of the Performances of a Thermoelectric Generator Based on a Catalytic Meso-Scale H₂/C₃H₈ Fueled Combustor.

PubMed

Abedi, Hossein; Merotto, Laura; Fanciulli, Carlo; Donde, Roberto; De Luliis, Silvana; Passaretti, Francesca

2017-03-01

In this work the thermoelectric generator (TEG) based on catalytic combustion already developed in our lab has been further investigated and improved. The system made of two thermoelectric (TE) modules coupled with a catalytic combustor has been used in this work to obtain higher overall efficiency by adding hydrogen to the fuel mixture. Since implementation of hydrogen as a fuel has shown low and stable combustion temperature in literature, it is expected to achieve good overall efficiency of TEG. Moreover, hydrogen can be used to improve the system inducing self-ignition. Focus of the present work is the implementation of different mixture proportions, varying the amount of hydrogen, and the investigation of their effects on the overall efficiency. The overall TEG efficiency, has been evaluated by parallel characterization of thermoelectric modules and exhaust gases composition. The system performances have been characterized using different mixtures: the results indicate that addition of H₂ to the fuel contribute to increase the chemical and overall TEG efficiency respect to previous work, producing up to 5.92 W of electrical power. Finally, the effects of H₂ for on self-ignition conditions have been investigated finding the minimum H₂ amount for different gas flow rates.

Water: two liquids divided by a common hydrogen bond.

PubMed

Soper, Alan K

2011-12-08

The structure of water is the subject of a long and ongoing controversy. Unlike simpler liquids, where atomic interactions are dominated by strong repulsive forces at short distances and weaker attractive (van der Waals) forces at longer distances, giving rise to local atomic coordination numbers of order 12, water has pronounced and directional hydrogen bonds which cause the dense liquid close-packed structure to open out into a disordered and dynamic network, with coordination number 4-5. Here I show that water structure can be accurately represented as a mixture of two identical, interpenetrating, molecular species separated by common hydrogen bonds. Molecules of one type can form hydrogen bonds with molecules of the other type but cannot form hydrogen bonds with molecules of the same type. These hydrogen bonds are strong along the bond but weak with respect to changes in the angle between neighboring bonds. The observed pressure and temperature dependence of water structure and thermodynamic properties follow naturally from this choice of water model, and it also gives a simple explanation of the enduring claims based on spectroscopic evidence that water is a mixture of two components. © 2011 American Chemical Society

Microheterogeneity in binary mixtures of water with CH3OH and CD3OH: ATR-IR spectroscopic, chemometric and DFT studies

NASA Astrophysics Data System (ADS)

Tomza, Paweł; Wrzeszcz, Władysław; Mazurek, Sylwester; Szostak, Roman; Czarnecki, Mirosław Antoni

2018-05-01

Here we report ATR-IR spectroscopic study on the separation at a molecular level (microheterogeneity) and the degree of deviation of H2O/CH3OH and H2O/CD3OH mixtures from the ideal mixture. Of particular interest is the effect of isotopic substitution in methyl group on molecular structure and interactions in both mixtures. To obtain comprehensive information from the multivariate data we applied the excess molar absorptivity spectra together with two-dimensional correlation analysis (2DCOS) and chemometric methods. In addition, the experimental results were compared and discussed with the structures of various model clusters obtained from theoretical (DFT) calculations. Our results evidence the presence of separation at a molecular level and deviation from the ideal mixture for both mixtures. The experimental and theoretical results show that the maximum of these deviations appears at equimolar mixture. Both mixtures consist of three kinds of species: homoclusters of water and methanol and mixed clusters (heteroclusters). The heteroclusters exist in the whole range of mole fractions with the maximum close to the equimolar mixture. At this mixture composition near 55-60% of molecules are involved in heteroclusters. In contrast, the homoclusters of water occur in a limited range of mole fractions (XME < 0.85-0.9). Upon mixing the molecules of methanol form weaker hydrogen bonding as compared with the pure alcohol. In contrast, the molecules of water in the mixture are involved in stronger hydrogen bonding than those in bulk water. All these results indicate that both mixtures have similar degree of deviation from the ideal mixture.

Microheterogeneity in binary mixtures of water with CH3OH and CD3OH: ATR-IR spectroscopic, chemometric and DFT studies.

PubMed

Tomza, Paweł; Wrzeszcz, Władysław; Mazurek, Sylwester; Szostak, Roman; Czarnecki, Mirosław Antoni

2018-05-15

Here we report ATR-IR spectroscopic study on the separation at a molecular level (microheterogeneity) and the degree of deviation of H 2 O/CH 3 OH and H 2 O/CD 3 OH mixtures from the ideal mixture. Of particular interest is the effect of isotopic substitution in methyl group on molecular structure and interactions in both mixtures. To obtain comprehensive information from the multivariate data we applied the excess molar absorptivity spectra together with two-dimensional correlation analysis (2DCOS) and chemometric methods. In addition, the experimental results were compared and discussed with the structures of various model clusters obtained from theoretical (DFT) calculations. Our results evidence the presence of separation at a molecular level and deviation from the ideal mixture for both mixtures. The experimental and theoretical results show that the maximum of these deviations appears at equimolar mixture. Both mixtures consist of three kinds of species: homoclusters of water and methanol and mixed clusters (heteroclusters). The heteroclusters exist in the whole range of mole fractions with the maximum close to the equimolar mixture. At this mixture composition near 55-60% of molecules are involved in heteroclusters. In contrast, the homoclusters of water occur in a limited range of mole fractions (X ME  < 0.85-0.9). Upon mixing the molecules of methanol form weaker hydrogen bonding as compared with the pure alcohol. In contrast, the molecules of water in the mixture are involved in stronger hydrogen bonding than those in bulk water. All these results indicate that both mixtures have similar degree of deviation from the ideal mixture. Copyright © 2018 Elsevier B.V. All rights reserved.

Production of natural antioxidants from vegetable oil deodorizer distillates: effect of catalytic hydrogenation.

PubMed

Pagani, María Ayelén; Baltanás, Miguel A

2010-02-01

Natural tocopherols are one of the main types of antioxidants found in living creatures, but they also have other critical biological functions. The biopotency of natural (+)-alpha-tocopherol (RRR) is 36% higher than that of the synthetic racemic mixture and 300% higher than the SRR stereoisomer. Vegetable oil deodorizer distillates (DD) are an excellent source of natural tocopherols. Catalytic hydrogenation of DD preconcentrates has been suggested as a feasible route for recovery of tocopherols in high yield. However, it is important to know whether the hydrogenation operation, as applied to these tocopherol-rich mixtures, is capable of preserving the chiral (RRR) character, which is critical to its biopotency. Fortified (i.e., (+)-alpha-tocopherol enriched) sunflower oil and methyl stearate, as well as sunflower oil DD, were fully hydrogenated using commercial Ni and Pd catalysts (120-180 degrees C; 20-60 psig). Products were analyzed by chiral HPLC. Results show that the desired chiral configuration (RRR) is fully retained. Thus, the hydrogenation route can be safely considered as a valid alternative for increasing the efficiency of tocopherol recovery processes from DDs while preserving their natural characteristics.

Study of DC Circuit Breaker of H2-N2 Mixture Gas for High Voltage

NASA Astrophysics Data System (ADS)

Shiba, Yuji; Morishita, Yukinaga; Kaneko, Shuhei; Okabe, Shigemitsu; Mizoguchi, Hitoshi; Yanabu, Satoru

Global warming caused by CO2 etc. is a field where the concern is very high. Especially, automobile emissions are problem for it. Therefore, the hybrid car is widely development and used recently. Hybrid car used electric power and gasoline. So, the car reduces CO2. Hybrid car has engine and motor. To rotate the motor, hybrid car has battery. This battery is large capacity. Therefore, the relay should interrupt high DC current for the switch of the motor and the engine. So, hybrid car used hydrogen gas filling relay We studied interruption test for the research of a basic characteristic of hydrogen gas. DC current has not current zero point. So, it is necessary to make the current zero by high arc voltage and forcible current zero point. The loss coefficient and arc voltage of hydrogen is high. Therefore, we studied interruption test for used high arc voltage. We studied interruption test and dielectric breakdown test of air, pure Hydrogen, and Hydrogen- nitrogen mixture gas. As a result, we realized H2-N2(80%-20%) is the best gas.

Method and apparatus for the selective separation of gaseous coal gasification products by pressure swing adsorption

DOEpatents

Ghate, Madhav R.; Yang, Ralph T.

1987-01-01

Bulk separation of the gaseous components of multi-component gases provided by the gasification of coal including hydrogen, carbon monoxide, methane, and acid gases (carbon dioxide plus hydrogen sulfide) are selectively adsorbed by a pressure swing adsorption technique using activated carbon, zeolite or a combination thereof as the adsorbent. By charging a column containing the adsorbent with a gas mixture and pressurizing the column to a pressure sufficient to cause the adsorption of the gases and then reducing the partial pressure of the contents of the column, the gases are selectively and sequentially desorbed. Hydrogen, the least absorbable gas of the gaseous mixture, is the first gas to be desorbed and is removed from the column in a co-current direction followed by the carbon monoxide, hydrogen and methane. With the pressure in the column reduced to about atmospheric pressure the column is evacuated in a countercurrent direction to remove the acid gases from the column. The present invention is particularly advantageous as a producer of high parity hydrogen from gaseous products of coal gasification and as an acid gas scrubber.

Simulation of Hydrogen Distribution in Ignalina NPP ALS Compartments During BDBA

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

Babilas, Egidijus; Urbonavicius, Egidijus; Rimkevicius, Sigitas

2006-07-01

Accident Localisation System (ALS) of Ignalina NPP is a 'pressure suppression' type confinement, which protects the population, employees and environment from the radiation hazards. According to the Safety Analysis Report for Ignalina NPP {approx}110 m{sup 3} of hydrogen is released to ALS compartments during the Maximum Design Basis Accident. However in case of beyond design basis accident, when the oxidation of zirconium starts, the amount of generated hydrogen could be significantly higher. If the volume concentration of hydrogen in the compartment reaches 4%, there is a possibility for a combustible mixture to appear. To prevent the possible hydrogen accumulation inmore » the ALS of the Ignalina NPP during an accident the H{sub 2} control system is installed. The results of the performed analysis derived the places of the possible H{sub 2} accumulation in the ALS compartments during the transient processes and assessed the mixture combustibility in these places for a beyond design basis accident scenario. Such analysis of H{sub 2} distribution in the ALS of Ignalina NPP in case of BDBA was not performed before. (authors)« less

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

Motevaselian, M. H.; Mashayak, S. Y.; Aluru, N. R., E-mail: aluru@illinois.edu

Empirical potential-based quasi-continuum theory (EQT) provides a route to incorporate atomistic detail into continuum framework such as the Nernst-Planck equation. EQT can also be used to construct a grand potential functional for classical density functional theory (cDFT). The combination of EQT and cDFT provides a simple and fast approach to predict the inhomogeneous density, potential profiles, and thermodynamic properties of confined fluids. We extend the EQT-cDFT approach to confined fluid mixtures and demonstrate it by simulating a mixture of methane and hydrogen inside slit-like channels of graphene. We show that the EQT-cDFT predictions for the structure of the confined fluidmore » mixture compare well with the molecular dynamics simulation results. In addition, our results show that graphene slit nanopores exhibit a selective adsorption of methane over hydrogen.« less

Study of Gallium Arsenide Etching in a DC Discharge in Low-Pressure HCl-Containing Mixtures

NASA Astrophysics Data System (ADS)

Dunaev, A. V.; Murin, D. B.

2018-04-01

Halogen-containing plasmas are often used to form topological structures on semiconductor surfaces; therefore, spectral monitoring of the etching process is an important diagnostic tool in modern electronics. In this work, the emission spectra of gas discharges in mixtures of hydrogen chloride with argon, chlorine, and hydrogen in the presence of a semiconducting gallium arsenide plate were studied. Spectral lines and bands of the GaAs etching products appropriate for monitoring the etching rate were determined. It is shown that the emission intensity of the etching products is proportional to the GaAs etching rate in plasmas of HCl mixtures with Ar and Cl2, which makes it possible to monitor the etching process in real time by means of spectral methods.

Sensor for Measuring Hydrogen Partial Pressure in Parabolic Trough Power Plant Expansion Tanks

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

Glatzmaier, Greg C.; Cooney, Daniel A.

The National Renewable Energy Laboratory and Acciona Energy North America are working together to design and implement a process system that provides a permanent solution to the issue of hydrogen buildup at parabolic trough power plants. We are pursuing a method that selectively removes hydrogen from the expansion tanks that serve as reservoirs for the heat transfer fluid (HTF) that circulates in the collector field and power block components. Our modeling shows that removing hydrogen from the expansion tanks at a design rate reduces and maintains dissolved hydrogen in the circulating HTF to a selected target level. Our collaborative workmore » consists of several tasks that are needed to advance this process concept to a development stage, where it is ready for implementation at a commercial power plant. Our main effort is to design and evaluate likely process-unit operations that remove hydrogen from the expansion tanks at a specified rate. Additionally, we designed and demonstrated a method and instrumentation to measure hydrogen partial pressure and concentration in the expansion-tank headspace gas. We measured hydrogen partial pressure in the headspace gas mixture using a palladium-alloy membrane, which is permeable exclusively to hydrogen. The membrane establishes a pure hydrogen gas phase that is in equilibrium with the hydrogen in the gas mixture. We designed and fabricated instrumentation, and demonstrated its effectiveness in measuring hydrogen partial pressures over a range of three orders of magnitude. Our goal is to install this instrument at the Nevada Solar One power plant and to demonstrate its effectiveness in measuring hydrogen levels in the expansion tanks under normal plant operating conditions.« less

Continuous spin detonation of poorly detonable fuel-air mixtures in annular combustors

NASA Astrophysics Data System (ADS)

Bykovskii, F. A.; Zhdan, S. A.

2017-09-01

This paper reports on the results of experimental investigations of continuous spin detonation of three fuel-air mixtures (syngas-air, CH4/H2-air, and kerosene/H2-air in a flow-type annular cylindrical combustor 503 mm in diameter. The limits of existence of continuous detonation in terms of the specific flow rates of the mixtures (minimum values) are determined. It is found that all gas mixtures, including the least detonable methane-air mixture, with addition of hydrogen can be burned in the continuous spin detonation regime.

Inactivation of the ribonucleoside triphosphate reductase from Lactobacillus leichmannii by 2 prime -chloro-2 prime -deoxyuridine 5 prime -triphosphate: A 3 prime -2 prime hydrogen transfer during the formation of 3 prime -keto-2 prime -deoxyuridine 5 prime -triphosphate

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

Ashley, G.W.; Harris, G.; Stubbe, J.

1988-10-04

The ribonucleoside triphosphate reductase of Lactobacillus leichmannii converts the substrate analogue 2{prime}-chloro-2{prime}-deoxyuridine 5{prime}-triphosphate (C1UTP) into a mixture of 2{prime}-deoxyuridine triphosphate (dUTP) and the unstable product 3{prime}-keto-2{prime}-deoxyuridine triphosphate (3{prime}-keto-dUTP). This ketone can be trapped by reduction with NaBH{sub 4}, producing a 4:1 mixture of xylo-dUTP and dUTP. When (3{prime}-{sup 3}H)C1UTP is treated with enzyme in the presence of NaBH{sub 4}, the isomeric deoxyuridines isolated after alkaline phosphatase treatment retained 15% of the {sup 3}H in C1UTP. Degradation of these isomeric nucleosides has established the location of the {sup 3}H in 3{prime}-keto-dUTP as predominantly 2{prime}(S). The xylo-dU had 98.6% of its labelmore » at the 2{prime}(S) position and 1.5% at 2{prime}(R). The isolated dU had 89.6% of its label at 2{prime}(S) and 1.4% at 2{prime}(R), with the remaining 9% label inferred to be at the 3{prime}-carbon, this resulting from the direct enzymic production of dUTP. These results are consistent with enzymic production of a 1:1,000 mixture of dUTP and 3{prime}-keto-dUTP, where the 3{prime}-hydrogen of C1UTP is retained at 3{prime} during production of dUTP and is transferred to 2{prime}(S) during production of 3{prime}-keto-dUTP. The implications of these results and the unique role of the cofactor adenosylcobalamin are discussed in terms of reductase being a model for the B{sub 12}-dependent rearrangement reactions.« less

Polymer formulations for gettering hydrogen

DOEpatents

Shepodd, T.J.; Whinnery, L.L.

1998-11-17

A novel composition is described comprising organic polymer molecules having carbon-carbon double bonds, for removing hydrogen from the atmosphere within enclosed spaces. Organic polymers molecules containing carbon-carbon double bonds throughout their structures, preferably polybutadiene, polyisoprene and derivatives thereof, intimately mixed with an insoluble catalyst composition, comprising a hydrogenation catalyst and a catalyst support, preferably Pd supported on carbon, provide a hydrogen getter composition useful for removing hydrogen from enclosed spaces even in the presence of contaminants such as common atmospheric gases, water vapor, carbon dioxide, ammonia, oil mists, and water. The hydrogen getter composition disclosed herein is particularly useful for removing hydrogen from enclosed spaces containing potentially explosive mixtures of hydrogen and oxygen. 1 fig.

Oxidation of hydrogen halides to elemental halogens

DOEpatents

Rohrmann, Charles A.; Fullam, Harold T.

1985-01-01

A process for oxidizing hydrogen halides having substantially no sulfur impurities by means of a catalytically active molten salt is disclosed. A mixture of the subject hydrogen halide and an oxygen bearing gas is contacted with a molten salt containing an oxidizing catalyst and alkali metal normal sulfates and pyrosulfates to produce an effluent gas stream rich in the elemental halogen and substantially free of sulfur oxide gases.

Pressure-induced orientational glass phase in molecular para-hydrogen.

PubMed

Schelkacheva, T I; Tareyeva, E E; Chtchelkatchev, N M

2009-02-01

We propose a theoretical description of a possible orientational glass transition in solid molecular para-hydrogen and ortho-deuterium under pressure supposing that they are mixtures of J=0 and J=2 states of molecules. The theory uses the basic concepts and methods of standard spin-glass theory. We expect our orientational glass to correspond to the II' phase of the high-pressure hydrogen phase diagram.

Solubility of mixtures of hydrogen sulfide and carbon dioxide in aqueous N-methyldiethanolamine solutions

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

Jou, Fang Yuan; Carroll, J.J.; Mather, A.E.

1993-01-01

Aqueous solutions of alkanolamines are commonly used to strip acid gases (H[sub 2]S and CO[sub 2]) from streams contaminated with these components. The two most widely used amines are monoethanolamine (MEA) and diethanolamine (DEA). The solubilities of mixtures of hydrogen sulfide and carbon dioxide in a 35 wt% (3.04 kmol/m[sup 3]) aqueous solution of N-methyldiethanolamine at 40 and 100C have been measured. Partial pressures of the acid gases ranged from 0.006 to 101 kPa at 40C and from 4 to 530 kPa at 100C.

Attenuation of a hydrogen-air detonation by acoustic absorbing covering

NASA Astrophysics Data System (ADS)

Bivol, G. Yu; Golovastov, S. V.; Golub, V. V.; Ivanov, K. V.; Korobov, A. E.

2015-11-01

Using of sound-absorbing surfaces to weaken and decay of a detonation wave in hydrogen-air mixtures was investigated experimentally. Experiments were carried out in a cylindrical detonation tube open at one end. Initiation of the explosive mixture was carried out by a spark discharge, which is located at the closed end of the detonation tube. Acoustical sound absorbing foam element of a specific weight of 0.035 g/cm3 with open pores of 0.5 mm was used. The degree of attenuation of the intensity of the detonation wave front was determined.

Production of chlorine from chloride salts

DOEpatents

Rohrmann, Charles A.

1981-01-01

A process for converting chloride salts and sulfuric acid to sulfate salts and elemental chlorine is disclosed. A chloride salt and sulfuric acid are combined in a furnace where they react to produce a sulfate salt and hydrogen chloride. Hydrogen chloride from the furnace contacts a molten salt mixture containing an oxygen compound of vanadium, an alkali metal sulfate and an alkali metal pyrosulfate to recover elemental chlorine. In the absence of an oxygen-bearing gas during the contacting, the vanadium is reduced, but is regenerated to its active higher valence state by separately contacting the molten salt mixture with an oxygen-bearing gas.

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

Cardenas, Rosa E.; Stewart, Kenneth D.; Cowgill, Donald F.

In our study, the authors developed an approach for accurately quantifying the helium content in a gas mixture also containing hydrogen and methane using commercially available getters. The authors performed a systematic study to examine how both H2 and CH4 can be removed simultaneously from the mixture using two SAES St 172® getters operating at different temperatures. The remaining He within the gas mixture can then be measured directly using a capacitance manometer. Moreover, the optimum combination involved operating one getter at 650°C to decompose the methane, and the second at 110°C to remove the hydrogen. Finally, this approach eliminatedmore » the need to reactivate the getters between measurements, thereby enabling multiple measurements to be made within a short time interval, with accuracy better than 1%. The authors anticipate that such an approach will be particularly useful for quantifying the He-3 in mixtures that include tritium, tritiated methane, and helium-3. The presence of tritiated methane, generated by tritium activity, often complicates such measurements.« less

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

Cárdenas, Rosa Elia, E-mail: recarde1@uiwtx.edu; Stewart, Kenneth D.; Cowgill, Donald F., E-mail: dfcowgi@sandia.gov

In this study, the authors developed an approach for accurately quantifying the helium content in a gas mixture also containing hydrogen and methane using commercially available getters. The authors performed a systematic study to examine how both H{sub 2} and CH{sub 4} can be removed simultaneously from the mixture using two SAES St 172{sup ®} getters operating at different temperatures. The remaining He within the gas mixture can then be measured directly using a capacitance manometer. The optimum combination involved operating one getter at 650 °C to decompose the methane, and the second at 110 °C to remove the hydrogen. This approachmore » eliminated the need to reactivate the getters between measurements, thereby enabling multiple measurements to be made within a short time interval, with accuracy better than 1%. The authors anticipate that such an approach will be particularly useful for quantifying the He-3 in mixtures that include tritium, tritiated methane, and helium-3. The presence of tritiated methane, generated by tritium activity, often complicates such measurements.« less

Green hypergolic combination: Diethylenetriamine-based fuel and hydrogen peroxide

NASA Astrophysics Data System (ADS)

Kang, Hongjae; Kwon, Sejin

2017-08-01

The present research dealt with the concept of green hypergolic combination to replace the toxic hypergolic combinations. Hydrogen peroxide was selected as a green oxidizer. A novel recipe for the non-toxic hypergolic fuel (Stock 3) was suggested. Sodium borohydride was blended into the mixture of energetic hydrocarbon solvents as an ignition source for hypergolic ignition. The main ingredient of the mixture was diethylenetriamine. By mixing some amount of tetrahydrofuran with diethylenetriamine, the mixture became more flammable and volatile. The mixture of Stock 3 fuel remained stable for four months in the lab scale storability test. Through a simple drop test, the hypergolicity of the green hypergolic combination was verified. Comparing to the toxic hypergolic combination MMH/NTO as the reference, the theoretical performance of the green hypergolic combination would be achieved about 96.7% of the equilibrium specific impulse and about 105.7% of the density specific impulse. The applicability of the green hypergolic combination was successfully confirmed through the static hot-fire tests using 500 N scale hypergolic thruster.

Computational Study of Near-limit Propagation of Detonation in Hydrogen-air Mixtures

NASA Technical Reports Server (NTRS)

Yungster, S.; Radhakrishnan, K.

2002-01-01

A computational investigation of the near-limit propagation of detonation in lean and rich hydrogen-air mixtures is presented. The calculations were carried out over an equivalence ratio range of 0.4 to 5.0, pressures ranging from 0.2 bar to 1.0 bar and ambient initial temperature. The computations involved solution of the one-dimensional Euler equations with detailed finite-rate chemistry. The numerical method is based on a second-order spatially accurate total-variation-diminishing (TVD) scheme, and a point implicit, first-order-accurate, time marching algorithm. The hydrogen-air combustion was modeled with a 9-species, 19-step reaction mechanism. A multi-level, dynamically adaptive grid was utilized in order to resolve the structure of the detonation. The results of the computations indicate that when hydrogen concentrations are reduced below certain levels, the detonation wave switches from a high-frequency, low amplitude oscillation mode to a low frequency mode exhibiting large fluctuations in the detonation wave speed; that is, a 'galloping' propagation mode is established.

A multiphase mixture model for substrate concentration distribution characteristics and photo-hydrogen production performance of the entrapped-cell photobioreactor.

PubMed

Guo, Cheng-Long; Cao, Hong-Xia; Pei, Hong-Shan; Guo, Fei-Qiang; Liu, Da-Meng

2015-04-01

A multiphase mixture model was developed for revealing the interaction mechanism between biochemical reactions and transfer processes in the entrapped-cell photobioreactor packed with gel granules containing Rhodopseudomonas palustris CQK 01. The effects of difference operation parameters, including operation temperature, influent medium pH value and porosity of packed bed, on substrate concentration distribution characteristics and photo-hydrogen production performance were investigated. The results showed that the model predictions were in good agreement with the experimental data reported. Moreover, the operation temperature of 30 °C and the influent medium pH value of 7 were the most suitable conditions for photo-hydrogen production by biodegrading substrate. In addition, the lower porosity of packed bed was beneficial to enhance photo-hydrogen production performance owing to the improvement on the amount of substrate transferred into gel granules caused by the increased specific area for substrate transfer in the elemental volume. Copyright © 2015 Elsevier Ltd. All rights reserved.

Molecular dynamics of acetamide based ionic deep eutectic solvents

NASA Astrophysics Data System (ADS)

Srinivasan, H.; Dubey, P. S.; Sharma, V. K.; Biswas, R.; Mitra, S.; Mukhopadhyay, R.

2018-04-01

Deep eutectic solvents are multi-component mixtures that have freezing point lower than their individual components. Mixture of acetamide+ lithium nitrate in the molar ratio 78:22 and acetamide+ lithium perchlorate in the molar ratio 81:19 are found to form deep eutectic solvents with melting point lower than the room temperature. It is known that the depression in freezing point is due to the hydrogen bond breaking ability of anions in the system. Quasielastic neutron scattering experiments on these systems were carried out to study the dynamics of acetamide molecules which may be influenced by this hydrogen bond breaking phenomena. The motion of acetamide molecules is modeled using jump diffusion mechanism to demonstrate continuous breaking and reforming hydrogen bonds in the solvent. Using the jump diffusion model, it is inferred that the jump lengths of acetamide molecules are better approximated by a Gaussian distribution. The shorter residence time of acetamide in presence of perchlorate ions suggest that the perchlorate ions have a higher hydrogen bond breaking ability compared to nitrate ions.

Hydrogen combustion in tomorrow's energy technology

NASA Astrophysics Data System (ADS)

Peschka, W.

The fundamental characteristics of hydrogen combustion and the current status of hydrogen energy applications technology are reviewed, with an emphasis on research being pursued at DFVLR. Topics addressed include reaction mechanisms and pollution, steady-combustion devices (catalytic heaters, H2/air combustors, H2/O2 rocket engines, H2-fueled jet engines, and gas and steam turbine processes), unsteady combustion (in internal-combustion engines with internal or external mixture formation), and feasibility studies of hydrogen-powered automobiles. Diagrams, drawings, graphs, and photographs are provided.

Properties of materials in high pressure hydrogen at room and elevated temperatures

NASA Technical Reports Server (NTRS)

Harris, J. A., Jr.

1972-01-01

Experimental efforts in this program for this period. Mechanical property tests of wrought and cast nickel-base alloys and one wrought cobalt-base alloy were conducted in 34.5 MN/sq m (5000-psig) helium and hydrogen or hydrogen mixtures. Comparison of test results was made to determine degradation of properties due to the hydrogen environments. All testing was conducted on solid specimens exposed to external gaseous pressure. Specific mechanical properties determined and the testing methods used are summarized.

Phase transition and chemical decomposition of hydrogen peroxide and its water mixtures under high pressures.

PubMed

Chen, Jing-Yin; Kim, Minseob; Yoo, Choong-Shik; Dattelbaum, Dana M; Sheffield, Stephen

2010-06-07

We have studied the pressure-induced phase transition and chemical decomposition of hydrogen peroxide and its mixtures with water to 50 GPa, using confocal micro-Raman and synchrotron x-ray diffractions. The x-ray results indicate that pure hydrogen peroxide crystallizes into a tetragonal structure (P4(1)2(1)2), the same structure previously found in 82.7% H(2)O(2) at high pressures and in pure H(2)O(2) at low temperatures. The tetragonal phase (H(2)O(2)-I) is stable to 15 GPa, above which transforms into an orthorhombic structure (H(2)O(2)-II) over a relatively large pressure range between 13 and 18 GPa. Inferring from the splitting of the nu(s)(O-O) stretching mode, the phase I-to-II transition pressure decreases in diluted H(2)O(2) to around 7 GPa for the 41.7% H(2)O(2) and 3 GPa for the 9.5%. Above 18 GPa H(2)O(2)-II gradually decomposes to a mixture of H(2)O and O(2), which completes at around 40 GPa for pure and 45 GPa for the 9.5% H(2)O(2). Upon pressure unloading, H(2)O(2) also decomposes to H(2)O and O(2) mixtures across the melts, occurring at 2.5 GPa for pure and 1.5 GPa for the 9.5% mixture. At H(2)O(2) concentrations below 20%, decomposed mixtures form oxygen hydrate clathrates at around 0.8 GPa--just after H(2)O melts. The compression data of pure H(2)O(2) and the stability data of the mixtures seem to indicate that the high-pressure decomposition is likely due to the pressure-induced densification, whereas the low-pressure decomposition is related to the heterogeneous nucleation process associated with H(2)O(2) melting.

Benzene selectivity in competitive arene hydrogenation: effects of single-site catalyst···acidic oxide surface binding geometry.

PubMed

Gu, Weixing; Stalzer, Madelyn Marie; Nicholas, Christopher P; Bhattacharyya, Alak; Motta, Alessandro; Gallagher, James R; Zhang, Guanghui; Miller, Jeffrey T; Kobayashi, Takeshi; Pruski, Marek; Delferro, Massimiliano; Marks, Tobin J

2015-06-03

Organozirconium complexes are chemisorbed on Brønsted acidic sulfated ZrO2 (ZrS), sulfated Al2O3 (AlS), and ZrO2-WO3 (ZrW). Under mild conditions (25 °C, 1 atm H2), the supported Cp*ZrMe3, Cp*ZrBz3, and Cp*ZrPh3 catalysts are very active for benzene hydrogenation with activities declining with decreasing acidity, ZrS ≫ AlS ≈ ZrW, arguing that more Brønsted acidic oxides (those having weaker corresponding conjugate bases) yield stronger surface organometallic electrophiles and for this reason have higher benzene hydrogenation activity. Benzene selective hydrogenation, a potential approach for carcinogenic benzene removal from gasoline, is probed using benzene/toluene mixtures, and selectivities for benzene hydrogenation vary with catalyst as ZrBz3(+)/ZrS(-), 83% > Cp*ZrMe2(+)/ZrS(-), 80% > Cp*ZrBz2(+)/ZrS(-), 67% > Cp*ZrPh2(+)/ZrS(-), 57%. For Cp*ZrBz2(+)/ZrS(-), which displays the highest benzene hydrogenation activity with moderate selectivity in benzene/toluene mixtures. Other benzene/arene mixtures are examined, and benzene selectivities vary with arene as mesitylene, 99%, > ethylbenzene, 86% > toluene, 67%. Structural and computational studies by solid-state NMR spectroscopy, XAS, and periodic DFT methods applied to supported Cp*ZrMe3 and Cp*ZrBz3 indicate that larger Zr···surface distances are present in more sterically encumbered Cp*ZrBz2(+)/AlS(-) vs Cp*ZrMe2(+)/AlS(-). The combined XAS, solid state NMR, and DFT data argue that the bulky catalyst benzyl groups expand the "cationic" metal center-anionic sulfated oxide surface distances, and this separation/weakened ion-pairing enables the activation/insertion of more sterically encumbered arenes and influences hydrogenation rates and selectivity patterns.

Benzene selectivity in competitive arene hydrogenation: Effects of single-site catalyst···acidic oxide surface binding geometry

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

Gu, Weixing; Stalzer, Madelyn Marie; Nicholas, Christopher P.

Organozirconium complexes are chemisorbed on Brønsted acidic sulfated ZrO 2 (ZrS), sulfated Al 2O 3 (AlS), and ZrO 2–WO 3 (ZrW). Under mild conditions (25 °C, 1 atm H 2), the supported Cp*ZrMe 3, Cp*ZrBz 3, and Cp*ZrPh 3 catalysts are very active for benzene hydrogenation with activities declining with decreasing acidity, ZrS >> AlS ≈ ZrW, arguing that more Brønsted acidic oxides (those having weaker corresponding conjugate bases) yield stronger surface organometallic electrophiles and for this reason have higher benzene hydrogenation activity. Benzene selective hydrogenation, a potential approach for carcinogenic benzene removal from gasoline, is probed using benzene/toluene mixtures,more » and selectivities for benzene hydrogenation vary with catalyst as ZrBz 3 +/ZrS –, 83% > Cp*ZrMe 2 +/ZrS –, 80% > Cp*ZrBz 2 +/ZrS –, 67% > Cp*ZrPh 2 +/ZrS –, 57%. For Cp*ZrBz 2+/ZrS –, which displays the highest benzene hydrogenation activity with moderate selectivity in benzene/toluene mixtures. Other benzene/arene mixtures are examined, and benzene selectivities vary with arene as mesitylene, 99%, > ethylbenzene, 86% > toluene, 67%. Structural and computational studies by solid-state NMR spectroscopy, XAS, and periodic DFT methods applied to supported Cp*ZrMe 3 and Cp*ZrBz 3 indicate that larger Zr···surface distances are present in more sterically encumbered Cp*ZrBz 2 +/AlS – vs Cp*ZrMe 2 +/AlS –. Furthermore, the combined XAS, solid state NMR, and DFT data argue that the bulky catalyst benzyl groups expand the “cationic” metal center–anionic sulfated oxide surface distances, and this separation/weakened ion-pairing enables the activation/insertion of more sterically encumbered arenes and influences hydrogenation rates and selectivity patterns.« less

Benzene selectivity in competitive arene hydrogenation: Effects of single-site catalyst···acidic oxide surface binding geometry

DOE PAGES

Gu, Weixing; Stalzer, Madelyn Marie; Nicholas, Christopher P.; ...

2015-04-17

Organozirconium complexes are chemisorbed on Brønsted acidic sulfated ZrO 2 (ZrS), sulfated Al 2O 3 (AlS), and ZrO 2–WO 3 (ZrW). Under mild conditions (25 °C, 1 atm H 2), the supported Cp*ZrMe 3, Cp*ZrBz 3, and Cp*ZrPh 3 catalysts are very active for benzene hydrogenation with activities declining with decreasing acidity, ZrS >> AlS ≈ ZrW, arguing that more Brønsted acidic oxides (those having weaker corresponding conjugate bases) yield stronger surface organometallic electrophiles and for this reason have higher benzene hydrogenation activity. Benzene selective hydrogenation, a potential approach for carcinogenic benzene removal from gasoline, is probed using benzene/toluene mixtures,more » and selectivities for benzene hydrogenation vary with catalyst as ZrBz 3 +/ZrS –, 83% > Cp*ZrMe 2 +/ZrS –, 80% > Cp*ZrBz 2 +/ZrS –, 67% > Cp*ZrPh 2 +/ZrS –, 57%. For Cp*ZrBz 2+/ZrS –, which displays the highest benzene hydrogenation activity with moderate selectivity in benzene/toluene mixtures. Other benzene/arene mixtures are examined, and benzene selectivities vary with arene as mesitylene, 99%, > ethylbenzene, 86% > toluene, 67%. Structural and computational studies by solid-state NMR spectroscopy, XAS, and periodic DFT methods applied to supported Cp*ZrMe 3 and Cp*ZrBz 3 indicate that larger Zr···surface distances are present in more sterically encumbered Cp*ZrBz 2 +/AlS – vs Cp*ZrMe 2 +/AlS –. Furthermore, the combined XAS, solid state NMR, and DFT data argue that the bulky catalyst benzyl groups expand the “cationic” metal center–anionic sulfated oxide surface distances, and this separation/weakened ion-pairing enables the activation/insertion of more sterically encumbered arenes and influences hydrogenation rates and selectivity patterns.« less

Qualitative and quantitative analysis of mixtures of compounds containing both hydrogen and deuterium

NASA Technical Reports Server (NTRS)

Crespi, H. L.; Harkness, L.; Katz, J. J.; Norman, G.; Saur, W.

1969-01-01

Method allows qualitative and quantitative analysis of mixtures of partially deuterated compounds. Nuclear magnetic resonance spectroscopy determines location and amount of deuterium in organic compounds but not fully deuterated compounds. Mass spectroscopy can detect fully deuterated species but not the location.

Toxicity of carbon monoxide hydrogen cyanide gas mixtures : exposure concentration, time to incapacitation, carboxyhemoglobin and blood cyanide parameters.

DOT National Transportation Integrated Search

1994-04-01

During aircraft interior fires, carbon monoxide (CO) and hydrogen cyanide (HCN) are produced in sufficient amounts to cause incapacitation and death. Time-to-incapacitation (ti) is a practical parameter for estimating escape time in fire environments...

Catalytic ignition of hydrogen and oxygen propellants

NASA Technical Reports Server (NTRS)

Zurawski, Robert L.; Green, James M.

1988-01-01

An experimental program was conducted to evaluate the catalytic ignition of gaseous hydrogen and oxygen propellants. Shell 405 granular catalyst and a monolithic sponge catalyst were tested. Mixture ratio, mass flow rate, propellant temperature, and back pressure were varied parametrically in testing to determine the operational limits of the catalytic igniter. The test results show that the gaseous hydrogen and oxygen propellant combination can be ignited catalytically using Shell 405 catalyst over a wide range of mixture ratios, mass flow rates, and propellant injection temperatures. These operating conditions must be optimized to ensure reliable ignition for an extended period of time. A cyclic life of nearly 2000, 2 sec pulses at nominal operating conditions was demonstrated with the catalytic igniter. The results of the experimental program and the established operational limits for a catalytic igniter using the Shell 405 catalysts are presented.

Catalytic ignition of hydrogen and oxygen propellants

NASA Technical Reports Server (NTRS)

Zurawski, Robert L.; Green, James M.

1988-01-01

An experimental program was conducted to evaluate the catalytic ignition of gaseous hydrogen and oxygen propellants. Shell 405 granular catalyst and a monolithic sponge catalyst were tested. Mixture ratio, mass flow rate, propellant temperature, and back pressure were varied parametrically in testing to determine the operational limits of the catalytic igniter. The test results show that the gaseous hydrogen and oxygen propellant combination can be ignited catalytically using Shell 405 catalyst over a wide range of mixture ratios, mass flow rates, and propellant injection temperatures. These operating conditions must be optimized to ensure reliable ignition for an extended period of time. A cyclic life of nearly 2000, 2 sec pulses at nominal operating conditions was demonstrated with the catalytic igniter. The results of the experimental program and the established operational limits for a catalytic igniter using the Shell 405 catalyst are presented.

Cellular structure of lean hydrogen flames in microgravity

NASA Technical Reports Server (NTRS)

Patnaik, G.; Kailasanath, K.

1990-01-01

Detailed, time-dependent, two-dimensional numerical simulations of premixed laminar flames have been used to study the initiation and subsequent development of cellular structures in lean hydrogen-air flames. The model includes detailed hydrogen-oxygen combustion with 24 elementary reactions of eight reactive species and a nitrogen diluent, molecular diffusion of all species, thermal conduction, viscosity, and convection. This model has been used to study the nonlinear evolution of cellular flame structure and shows that cell splitting, as observed in experiments, can be predicted numerically for sufficiently reactive mixtures. The structures that evolved also resembled the cellular structures observed in experiments. The present study shows that the 'cell-split limit' postulated from experimental observations is an intrinsic property of the mixture and that external factors such as heat losses are not necessary to cause this limit.

Catalysts for the selective oxidation of hydrogen sulfide to sulfur

DOEpatents

Srinivas, Girish; Bai, Chuansheng

2000-08-08

This invention provides catalysts for the oxidation of hydrogen sulfide. In particular, the invention provides catalysts for the partial oxidation of hydrogen sulfide to elemental sulfur and water. The catalytically active component of the catalyst comprises a mixture of metal oxides containing titanium oxide and one or more metal oxides which can be selected from the group of metal oxides or mixtures of metal oxides of transition metals or lanthanide metals. Preferred metal oxides for combination with TiO.sub.2 in the catalysts of this invention include oxides of V, Cr, Mn, Fe, Co, Ni, Cu, Nb, Mo, Tc, Ru, Rh, Hf, Ta, W, Au, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu. Catalysts which comprise a homogeneous mixture of titanium oxide and niobium (Nb) oxide are also provided. A preferred method for preparing the precursor homogenous mixture of metal hydroxides is by coprecipitation of titanium hydroxide with one or more other selected metal hydroxides. Catalysts of this invention have improved activity and/or selectivity for elemental sulfur production. Further improvements of activity and/or selectivity can be obtained by introducing relatively low amounts (up to about 5 mol %)of a promoter metal oxide (preferably of metals other than titanium and that of the selected second metal oxide) into the homogeneous metal/titanium oxide catalysts of this invention.

Benchmarking density functionals for hydrogen-helium mixtures with quantum Monte Carlo: Energetics, pressures, and forces

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

Clay, Raymond C.; Holzmann, Markus; Ceperley, David M.

An accurate understanding of the phase diagram of dense hydrogen and helium mixtures is a crucial component in the construction of accurate models of Jupiter, Saturn, and Jovian extrasolar planets. Though DFT based rst principles methods have the potential to provide the accuracy and computational e ciency required for this task, recent benchmarking in hydrogen has shown that achieving this accuracy requires a judicious choice of functional, and a quanti cation of the errors introduced. In this work, we present a quantum Monte Carlo based benchmarking study of a wide range of density functionals for use in hydrogen-helium mixtures atmore » thermodynamic conditions relevant for Jovian planets. Not only do we continue our program of benchmarking energetics and pressures, but we deploy QMC based force estimators and use them to gain insights into how well the local liquid structure is captured by di erent density functionals. We nd that TPSS, BLYP and vdW-DF are the most accurate functionals by most metrics, and that the enthalpy, energy, and pressure errors are very well behaved as a function of helium concentration. Beyond this, we highlight and analyze the major error trends and relative di erences exhibited by the major classes of functionals, and estimate the magnitudes of these e ects when possible.« less

Benchmarking density functionals for hydrogen-helium mixtures with quantum Monte Carlo: Energetics, pressures, and forces

DOE PAGES

Clay, Raymond C.; Holzmann, Markus; Ceperley, David M.; ...

2016-01-19

An accurate understanding of the phase diagram of dense hydrogen and helium mixtures is a crucial component in the construction of accurate models of Jupiter, Saturn, and Jovian extrasolar planets. Though DFT based rst principles methods have the potential to provide the accuracy and computational e ciency required for this task, recent benchmarking in hydrogen has shown that achieving this accuracy requires a judicious choice of functional, and a quanti cation of the errors introduced. In this work, we present a quantum Monte Carlo based benchmarking study of a wide range of density functionals for use in hydrogen-helium mixtures atmore » thermodynamic conditions relevant for Jovian planets. Not only do we continue our program of benchmarking energetics and pressures, but we deploy QMC based force estimators and use them to gain insights into how well the local liquid structure is captured by di erent density functionals. We nd that TPSS, BLYP and vdW-DF are the most accurate functionals by most metrics, and that the enthalpy, energy, and pressure errors are very well behaved as a function of helium concentration. Beyond this, we highlight and analyze the major error trends and relative di erences exhibited by the major classes of functionals, and estimate the magnitudes of these e ects when possible.« less

Highly effective hydrogen isotope separation in nanoporous metal-organic frameworks with open metal sites: direct measurement and theoretical analysis.

PubMed

Oh, Hyunchul; Savchenko, Ievgeniia; Mavrandonakis, Andreas; Heine, Thomas; Hirscher, Michael

2014-01-28

Separating gaseous mixtures that consist of very similar size is one of the critical issues in modern separation technology. Especially, the separation of the isotopes hydrogen and deuterium requires special efforts, even though these isotopes show a very large mass ratio. Conventionally, H/D separation can be realized through cryogenic distillation of the molecular species or the Girdler-sulfide process, which are among the most energy-intensive separation techniques in the chemical industry. However, costs can be significantly reduced by using highly mass-selective nanoporous sorbents. Here, we describe a hydrogen isotope separation strategy exploiting the strongly attractive open metal sites present in nanoporous metal-organic frameworks of the CPO-27 family (also referred to as MOF-74). A theoretical analysis predicts an outstanding hydrogen isotopologue separation at open metal sites due to isotopal effects, which has been directly observed through cryogenic thermal desorption spectroscopy. For H2/D2 separation of an equimolar mixture at 60 K, the selectivity of 12 is the highest value ever measured, and this methodology shows extremely high separation efficiencies even above 77 K. Our theoretical results imply also a high selectivity for HD/H2 separation at similar temperatures, and together with catalytically active sites, we propose a mechanism to produce D2 from HD/H2 mixtures with natural or enriched deuterium content.

Pyrolysis process for producing condensed stabilized hydrocarbons utilizing a beneficially reactive gas

DOEpatents

Durai-Swamy, Kandaswamy

1982-01-01

In a process for recovery of values contained in solid carbonaceous material, the solid carbonaceous material is comminuted and then subjected to pyrolysis, in the presence of a carbon containing solid particulate source of heat and a beneficially reactive transport gas in a transport flash pyrolysis reactor, to form a pyrolysis product stream. The pyrolysis product stream contains a gaseous mixture and particulate solids. The solids are separated from the gaseous mixture to form a substantially solids-free gaseous stream which comprises volatilized hydrocarbon free radicals newly formed by pyrolysis. Preferably the solid particulate source of heat is formed by oxidizing part of the separated particulate solids. The beneficially reactive transport gas inhibits the reactivity of the char product and the carbon-containing solid particulate source of heat. Condensed stabilized hydrocarbons are obtained by quenching the gaseous mixture stream with a quench fluid which contains a capping agent for stabilizing and terminating newly formed volatilized hydrocarbon free radicals. The capping agent is partially depleted of hydrogen by the stabilization and termination reaction. Hydrocarbons of four or more carbon atoms in the gaseous mixture stream are condensed. A liquid stream containing the stabilized liquid product is then treated or separated into various fractions. A liquid containing the hydrogen depleted capping agent is hydrogenated to form a regenerated capping agent. At least a portion of the regenerated capping agent is recycled to the quench zone as the quench fluid. In another embodiment capping agent is produced by the process, separated from the liquid product mixture, and recycled.

Numerical simulation of hydrogen-air reacting flows in rectangular channels with catalytic surface reactions

NASA Astrophysics Data System (ADS)

Amano, Ryoichi S.; Abou-Ellail, Mohsen M.; Elhaw, Samer; Saeed Ibrahim, Mohamed

2013-09-01

In this work a prediction was numerically modeled for a catalytically stabilized thermal combustion of a lean homogeneous mixture of air and hydrogen. The mixture flows in a narrow rectangular channel lined with a thin coating of platinum catalyst. The solution using an in-house code is based on the steady state partial differential continuity, momentum and energy conservation equations for the mixture and species involved in the reactions. A marching technique is used along the streamwise direction to solve the 2-D plane-symmetric laminar flow of the gas. Two chemical kinetic reaction mechanisms were included; one for the gas phase reactions consisting of 17 elementary reactions; of which 7 are forward-backward reactions while the other mechanism is for the surface reactions—which are the prime mover of the combustion under a lean mixture condition—consisting of 16 elementary reactions. The results were compared with a former congruent experimental work where temperature was measured using thermocouples, while using PLIF laser for measuring water and hydrogen mole fractions. The comparison showed good agreement. More results for the velocities, mole fractions of other species were carried out across the transverse and along the streamwise directions providing a complete picture of overall mechanism—gas and surface—and on the production, consumptions and travel of the different species. The variations of the average OH mole fraction with the streamwise direction showed a sudden increase in the region where the ignition occurred. Also the rate of reactions of the entire surface species were calculated along the streamwise direction and a surface water production flux equation was derived by calculating the law of mass action's constants from the concentrations of hydrogen, oxygen and the rate of formation of water near the surface.

Fire Extinguishing Agents for Rocket Fuels

DTIC Science & Technology

1951-09-01

Fl&saable Are© for Mixtures of ’Hydrogen? Carbon Dioxid© and Air - - - - —*_-*.«. r. ----- . Flesnablo Area for Mixtures of...MÜxturesof Ammonia,~ Carbon "- Dioxide"" aad" 25 15 16 Flammable Afea for: Mixtures of Ammonia, Methyl. Bromide aad Air...at 6«,7°C. This compound was Obtained from Carbide and Carbon Chemicals Corporation end was purified by rectification. ^ . ’ ’Ethanol (G2HBOH

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

PubMed

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

2017-01-10

An integration of CO 2 -free hydrogen generation through methane decomposition coupled with hydrogen/methane separation and chemical hydrogen storage through liquid organic hydrogen carrier (LOHC) systems is demonstrated. A potential, very interesting application is the upgrading of stranded gas, for example, gas from a remote gas field or associated gas from off-shore oil drilling. Stranded gas can be effectively converted in a catalytic process by methane decomposition into solid carbon and a hydrogen/methane mixture that can be directly fed to a hydrogenation unit to load a LOHC with hydrogen. This allows for a straight-forward separation of hydrogen from CH 4 and conversion of hydrogen to a hydrogen-rich LOHC material. Both, the hydrogen-rich LOHC material and the generated carbon on metal can easily be transported to destinations of further industrial use by established transport systems, like ships or trucks. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Capacity enhancement of aqueous borohydride fuels for hydrogen storage in liquids

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

Schubert, David; Neiner, Doinita; Bowden, Mark

2015-10-01

In this work we demonstrate enhanced hydrogen storage capacities through increased solubility of sodium borate product species in aqueous media achieved by adjusting the sodium (NaOH) to boron (B(OH) 3) ratio, i.e., M/B, to obtain a distribution of polyborate anions. For a 1:1 mole ratio of NaOH to B(OH) 3, M/B = 1, the ratio of the hydrolysis product formed from NaBH 4 hydrolysis, the sole borate species formed and observed by 11B NMR is sodium metaborate, NaB(OH) 4. When the ratio is 1:3 NaOH to B(OH) 3, M/B = 0.33, a mixture of borate anions is formed and observedmore » as a broad peak in the 11B NMR spectrum. The complex polyborate mixture yields a metastable solution that is difficult to crystallize. Given the enhanced solubility of the polyborate mixture formed when M/B = 0.33 it should follow that the hydrolysis of sodium octahydrotriborate, NaB 3H 8, can provide a greater storage capacity of hydrogen for fuel cell applications compared to sodium borohydride while maintaining a single phase. Accordingly, the hydrolysis of a 23 wt% NaB 3H 8 solution in water yields a solution having the same complex polyborate mixture as formed by mixing a 1:3 molar ratio of NaOH and B(OH) 3 and releases >8 eq of H 2. By optimizing the M/B ratio a complex mixture of soluble products, including B 3O 3(OH) 5 2-, B 4O 5(OH) 4 2-, B 3O 3(OH) 4-, B 5O 6(OH) 4- and B(OH) 3, can be maintained as a single liquid phase throughout the hydrogen release process. Consequently, hydrolysis of NaB 3H 8 can provide a 40% increase in H 2 storage density compared to the hydrolysis of NaBH 4 given the decreased solubility of sodium metaborate. The authors would like to thank Jim Sisco and Paul Osenar of Protonex Inc. for useful discussion regarding liquid hydrogen storage materials for portable power applications and the U.S. DoE Office of Energy Efficiency and Renewable Energy Fuel Cell Technologies Office for their continued interest in liquid hydrogen storage carriers. Pacific Northwest National Laboratory is a multi-program national laboratory operated for DOE by Battelle. The authors dedicate the work to the memory of Professor Sheldon Shore. His contributions to boron hydride chemistry set the foundation for many who have followed.« less

Spectroscopic and DFT study of solvent effects on the electronic absorption spectra of sulfamethoxazole in neat and binary solvent mixtures

NASA Astrophysics Data System (ADS)

Almandoz, M. C.; Sancho, M. I.; Blanco, S. E.

2014-01-01

The solvatochromic behavior of sulfamethoxazole (SMX) was investigated using UV-vis spectroscopy and DFT methods in neat and binary solvent mixtures. The spectral shifts of this solute were correlated with the Kamlet and Taft parameters (α, β and π*). Multiple lineal regression analysis indicates that both specific hydrogen-bond interaction and non specific dipolar interaction play an important role in the position of the absorption maxima in neat solvents. The simulated absorption spectra using TD-DFT methods were in good agreement with the experimental ones. Binary mixtures consist of cyclohexane (Cy)-ethanol (EtOH), acetonitrile (ACN)-dimethylsulfoxide (DMSO), ACN-dimethylformamide (DMF), and aqueous mixtures containing as co-solvents DMSO, ACN, EtOH and MeOH. Index of preferential solvation was calculated as a function of solvent composition and non-ideal characteristics are observed in all binary mixtures. In ACN-DMSO and ACN-DMF mixtures, the results show that the solvents with higher polarity and hydrogen bond donor ability interact preferentially with the solute. In binary mixtures containing water, the SMX molecules are solvated by the organic co-solvent (DMSO or EtOH) over the whole composition range. Synergistic effect is observed in the case of ACN-H2O and MeOH-H2O, indicating that at certain concentrations solvents interact to form association complexes, which should be more polar than the individual solvents of the mixture.

Mechanism of formation of the response of a hydrogen gas sensor based on a silicon MOS diode

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

Gaman, V. I.; Balyuba, V. I.; Gritsyk, V. Yu.

2008-03-15

Experimental data on the dependence of the flat-band voltage and relaxation time for the capacitance of the space-charge region in an MOS diode (Pd-SiO{sub 2}-n-Si) on the hydrogen concentration in a hydrogen/air gaseous mixture are discussed. It is assumed that variation in the flat-band voltage U{sub fb} in an MOS structure with the thickness d = 369 nm subjected to a hydrogen/air gaseous mixture can be accounted for by the formation of dipoles in the Pd-SiO{sub 2} gap due to polarization of hydrogen atoms (H{sub a}). An analytical expression describing the dependence of variation in the flat-band voltage {Delta}U{sub fb}more » on the hydrogen concentration n{sub H{sub 2}} was derived. In MOS structures with d {<=} 4 nm (or MOS diodes), the value of {Delta}U{sub fb} is mainly controlled by passivation of the centers responsible for the presence of the surface acceptor-type centers at the SiO{sub 2}-n-Si interface by hydrogen atoms. Analytical expressions describing the dependences of {Delta}U{sub fb} and the capacitance relaxation time in the space-charge region on n{sub H{sub 2}} are derived. The values of the density of adsorption centers and the adsorption heat for hydrogen atoms at the Pd-SiO{sub 2} and SiO{sub 2}-n-Si interfaces are found.« less

Mechanism of formation of the response of a hydrogen gas sensor based on a silicon MOS diode

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

Gaman, V. I.; Balyuba, V. I.; Gritsyk, V. Yu.

2008-03-15

Experimental data on the dependence of the flat-band voltage and relaxation time for the capacitance of the space-charge region in an MOS diode (Pd-SiO{sub 2}-n-Si) on the hydrogen concentration in a hydrogen/air gaseous mixture are discussed. It is assumed that variation in the flat-band voltage U{sub fb} in an MOS structure with the thickness d = 369 nm subjected to a hydrogen/air gaseous mixture can be accounted for by the formation of dipoles in the Pd-SiO{sub 2} gap due to polarization of hydrogen atoms (H{sub a}). An analytical expression describing the dependence of variation in the flat-band voltage {delta}U{sub fb}more » on the hydrogen concentration n{sub H2} was derived. In MOS structures with d {<=} 4 nm (or MOS diodes), the value of {delta}U{sub fb} is mainly controlled by passivation of the centers responsible for the presence of the surface acceptor-type centers at the SiO{sub 2}-n-Si interface by hydrogen atoms. Analytical expressions describing the dependences of {delta}U{sub fb} and the capacitance relaxation time in the space-charge region on n{sub H2} are derived. The values of the density of adsorption centers and the adsorption heat for hydrogen atoms at the Pd-SiO{sub 2} and SiO{sub 2}-n-Si interfaces are found.« less

A Summary of the Slush Hydrogen Technology Program for the National Aero-Space Plane

NASA Technical Reports Server (NTRS)

Mcnelis, Nancy B.; Hardy, Terry L.; Whalen, Margaret V.; Kudlac, Maureen T.; Moran, Matthew E.; Tomsik, Thomas M.; Haberbusch, Mark S.

1995-01-01

Slush hydrogen, a mixture of solid and liquid hydrogen, offers advantages of higher density (16 percent) and higher heat capacity (18 percent) than normal boiling point hydrogen. The combination of increased density and heat capacity of slush hydrogen provided a potential to decrease the gross takeoff weight of the National Aero-Space Plane (NASP) and therefore slush hydrogen was selected as the propellant. However, no large-scale data was available on the production, transfer and tank pressure control characteristics required to use slush hydrogen as a fuel. Extensive testing has been performed at the NASA Lewis Research Center K-Site and Small Scale Hydrogen Test Facility between 1990 and the present to provide a database for the use of slush hydrogen. This paper summarizes the results of this testing.

THERMODYNAMICS OF THE CHLORINE-HYDROGEN-SILICON SYSTEM.

DTIC Science & Technology

The equilibrium composition of the gas phase and the weight of silicon deposited were calculated for SiCl4 /H2 and SiHCl3/H2 mixtures at temperatures... SiCl4 /H2 and SiHCl3/H2 mixtures may be explained in terms of thermodynamics alone. (Author)

Method for selective dehalogenation of halogenated polyaromatic compounds

DOEpatents

Farcasiu, Malvina; Petrosius, Steven C.

1994-01-01

A method for dehalogenating halogenated polyaromatic compounds is provided wherein the polyaromatic compounds are mixed with a hydrogen donor solvent and a carbon catalyst in predetermined proportions, the mixture is maintained at a predetermined pressure, and the mixture is heated to a predetermined temperature and for a predetermined time.

Sampling Error in a Particulate Mixture: An Analytical Chemistry Experiment.

ERIC Educational Resources Information Center

Kratochvil, Byron

1980-01-01

Presents an undergraduate experiment demonstrating sampling error. Selected as the sampling system is a mixture of potassium hydrogen phthalate and sucrose; using a self-zeroing, automatically refillable buret to minimize titration time of multiple samples and employing a dilute back-titrant to obtain high end-point precision. (CS)

FIXED-BED HYDROGENATION OF ORGANIC COMPOUNDS IN SUPERCRITICAL CARBON DIOXIDE. (R826034)

EPA Science Inventory

Abstract

The Pd/C hydrogenation of cyclohexene to cyclohexane was performed in a continuous fixed-bed reactor employing CO₂ to solubilize the reaction mixture in a single supercritical (sc) phase surrounding the solid catalyst. Employing an equimolar feed of...

Thermodynamics of Gases: Combustion Processes, Analysed in Slow Motion

ERIC Educational Resources Information Center

Vollmer, Michael; Mollmann, Klaus-Peter

2013-01-01

We present a number of simple demonstration experiments recorded with high-speed cameras in the fields of gas dynamics and thermal physics. The experiments feature relatively slow combustion processes of pure hydrogen as well as fast reactions involving oxy-hydrogen in a stoichiometric mixture. (Contains 4 figures.)

Approximate stoichiometry for rich hydrocarbon mixtures

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

Beans, E.W.

1993-03-01

The stoichiometry of lean mixtures can readily and accurately be determined from the assumption that all the carbon oxidizes to carbon dioxide and all the hydrogen oxidizes to water. This assumption is valid up to an equivalence ratio ([sigma]) of 0.8 and can be used with little error up to [sigma] = 1. The composition of the products of a hydrocarbon burnt in air under the foregoing assumption can be obtained from simple carbon, hydrogen, oxygen and nitrogen balances. Given the composition, one can determine the energy released and/or the adiabatic flame temperature. For rich mixtures, the foregoing assumption, ofmore » course, is not valid. Hence, there is no easy way to determine the stoichiometry of the products of a rich mixture. The objective of this note is to present an equation' which will allow one to readily determine the composition of the products of rich hydrocarbon mixtures. The equation is based on equilibrium composition calculations and some assumptions regarding the characteristics of hydrocarbons. The equation gives approximate results. However, the results are sufficiently accurate for many situations. If more accuracy is wanted, one should use an equilibrium combustion program like the one by Gordon and McBride.« less

Analysis of Te and TeO 2 on CdZnTe Nuclear Detectors Treated with Hydrogen Bromide and Ammonium-Based Solutions

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

Drabo, Mebougna L.; Egarievwe, Stephen U.; Okwechime, Ifechukwude O.

Surface defects caused during cutting and polishing in the fabrication of cadmium zinc telluride (CdZnTe) nuclear detectors limit their spectral performance. Chemical treatments are often used to remove surface damages and defects. In this paper, we present the analysis of Te and TeO 2 species on the surfaces of CdZnTe nuclear detectors treated with hydrogen bromide and ammonium-based solutions. The CdZnTe wafers were chemo-mechanically polished in a mixture of hydrogen bromide in hydrogen peroxide and ethylene glycol, followed by a chemical passivation in a mixture of ammonium fluoride and hydrogen peroxide solution. X-ray photoelectron spectroscopy showed significant conversion of Temore » to TeO 2, thus producing a more chemically stable surface. The resistivity of the CdZnTe samples is in the order of 1010 ohms-cm. The current for a given applied voltage increased following the passivation and decreased after a 3-hour period. Results from spectral response measurements showed that the 59.5-keV gamma-peak of Am-241 was stable under the same channel for the surface treatment processes.« less

Method and apparatus for the selective separation of gaseous coal gasification products by pressure swing adsorption

DOEpatents

Ghate, M.R.; Yang, R.T.

1985-10-03

Bulk separation of the gaseous components of multi-component gases provided by the gasification of coal including hydrogen, carbon monoxide, methane, and acid gases (carbon dioxide plus hydrogen sulfide) are selectively adsorbed by a pressure swing adsorption technique using activated carbon zeolite or a combination thereof as the adsorbent. By charging a column containing the adsorbent with a gas mixture and pressurizing the column to a pressure sufficient to cause the adsorption of the gases and then reducing the partial pressure of the contents of the column, the gases are selectively and sequentially desorbed. Hydrogen, the least absorbable gas of the gaseous mixture, is the first gas to be desorbed and is removed from the column in a co-current direction followed by the carbon monoxide, hydrogen and methane. With the pressure in the column reduced to about atmospheric pressure the column is evacuated in a countercurrent direction to remove the acid gases from the column. The present invention is particularly advantageous as a producer of high purity hydrogen from gaseous products of coal gasification and as an acid gas scrubber. 2 figs., 2 tabs.

Analysis of Te and TeO 2 on CdZnTe Nuclear Detectors Treated with Hydrogen Bromide and Ammonium-Based Solutions

DOE PAGES

Drabo, Mebougna L.; Egarievwe, Stephen U.; Okwechime, Ifechukwude O.; ...

2017-04-30

Surface defects caused during cutting and polishing in the fabrication of cadmium zinc telluride (CdZnTe) nuclear detectors limit their spectral performance. Chemical treatments are often used to remove surface damages and defects. In this paper, we present the analysis of Te and TeO 2 species on the surfaces of CdZnTe nuclear detectors treated with hydrogen bromide and ammonium-based solutions. The CdZnTe wafers were chemo-mechanically polished in a mixture of hydrogen bromide in hydrogen peroxide and ethylene glycol, followed by a chemical passivation in a mixture of ammonium fluoride and hydrogen peroxide solution. X-ray photoelectron spectroscopy showed significant conversion of Temore » to TeO 2, thus producing a more chemically stable surface. The resistivity of the CdZnTe samples is in the order of 1010 ohms-cm. The current for a given applied voltage increased following the passivation and decreased after a 3-hour period. Results from spectral response measurements showed that the 59.5-keV gamma-peak of Am-241 was stable under the same channel for the surface treatment processes.« less

Biological removal of air loaded with a hydrogen sulfide and ammonia mixture.

PubMed

Chen, Ying-xu; Yin, Jun; Fang, Shi

2004-01-01

The nuisance impact of air pollutant emissions from wastewater pumping stations is a major issue of concern to China. Hydrogen sulfide and ammonia are commonly the primary odor and are important targets for removal. An alternative control technology, biofiltration, was studied. The aim of this study is to investigate the potential of unit systems packed with compost in terms of ammonia and hydrogen sulfide emissions treatment, and to establish optimal operating conditions for a full-scale conceptual design. The laboratory scale biofilter packed with compost was continuously supplied with hydrogen sulfide and ammonia gas mixtures. A volumetric load of less than 150 gH2S/(m3 x d) and 230 gNH3/(m3 x d) was applied for about fifteen weeks. Hydrogen sulfide and ammonia elimination occurred in the biofilter simultaneously. The removal efficiency, removal capacity and removal kinetics in the biofilter were studied. The hydrogen sulfide removal efficiency reached was very high above 99%, and ammonia removal efficiency was about 80%. Hydrogen sulfide was oxidized into sulphate. The ammonia oxidation products were nitrite and nitrate. Ammonia in the biofilter was mainly removed by adsorption onto the carrier material and by absorption into the water fraction of the carrier material. High percentages of hydrogen sulfide or ammonia were oxidized in the first section of the column. Through kinetics analysis, the presence of ammonia did not hinder the hydrogen sulfide removal. According to the relationship between pressure drop and gas velocity for the biofilter and Reynolds number, non-Darcy flow can be assumed to represent the flow in the medium.

Hydrogen purification systems for PEM fuel cells

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

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

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

Dissipative particle dynamics parameterization and simulations to predict negative volume excess and structure of PEG and water mixtures

NASA Astrophysics Data System (ADS)

Kacar, Gokhan

2017-12-01

We report the results of dissipative particle dynamics (DPD) parameterization and simulations of a mixture of hydrophilic polymer, PEG 400, and water which are known to exhibit negative volume excess property upon mixing. The addition of a Morse potential to the conventional DPD potential mimics the hydrogen bond attraction, where the parameterization takes the internal chemistry of the beads into account. The results indicate that the mixing of PEG and water are maintained by the influence of hydrogen bonds, and the mesoscopic structure is characterized by the trade-off of enthalpic and entropic effects.

Method of inducing surface ensembles on a metal catalyst

DOEpatents

Miller, Steven S.

1989-01-01

A method of inducing surface ensembles on a transition metal catalyst used in the conversion of a reactant gas or gas mixture, such as carbon monoxide and hydrogen into hydrocarbons (the Fischer-Tropsch reaction) is disclosed which comprises adding a Lewis base to the syngas (CO+H.sub.2) mixture before reaction takes place. The formation of surface ensembles in this manner restricts the number and types of reaction pathways which will be utilized, thus greatly narrowing the product distribution and maximizing the efficiency of the Fischer-Tropsch reaction. Similarly, amines may also be produced by the conversion of reactant gas or gases, such as nitrogen, hydrogen, or hydrocarbon constituents.

Method of inducing surface ensembles on a metal catalyst

DOEpatents

Miller, S.S.

1987-10-02

A method of inducing surface ensembles on a transition metal catalyst used in the conversion of a reactant gas or gas mixture, such as carbon monoxide and hydrogen into hydrocarbons (the Fischer-Tropsch reaction) is disclosed which comprises adding a Lewis base to the syngas (CO + H/sub 2/) mixture before reaction takes place. The formation of surface ensembles in this manner restricts the number and types of reaction pathways which will be utilized, thus greatly narrowing the product distribution and maximizing the efficiency of the Fischer-Tropsch reaction. Similarly, amines may also be produced by the conversion of reactant gas or gases, such as nitrogen, hydrogen, or hydrocarbon constituents.

Separation of polar gases from nonpolar gases

DOEpatents

Kulprathipanja, Santi; Kulkarni, Sudhir S.

1986-01-01

Polar gases such as hydrogen sulfide, sulfur dioxide and ammonia may be separated from nonpolar gases such as methane, nitrogen, hydrogen or carbon dioxide by passing a mixture of polar and nonpolar gases over the face of a multicomponent membrane at separation conditions. The multicomponent membrane which is used to effect the separation will comprise a mixture of a glycol plasticizer having a molecular weight of from about 200 to about 600 and an organic polymer cast on a porous support. The use of such membranes as exemplified by polyethylene glycol and silicon rubber composited on polysulfone will permit greater selectivity accompanied by a high flux rate in the separation process.

Separation of polar gases from nonpolar gases

DOEpatents

Kulprathipanja, S.; Kulkarni, S.S.

1986-08-26

Polar gases such as hydrogen sulfide, sulfur dioxide and ammonia may be separated from nonpolar gases such as methane, nitrogen, hydrogen or carbon dioxide by passing a mixture of polar and nonpolar gases over the face of a multicomponent membrane at separation conditions. The multicomponent membrane which is used to effect the separation will comprise a mixture of a glycol plasticizer having a molecular weight of from about 200 to about 600 and an organic polymer cast on a porous support. The use of such membranes as exemplified by polyethylene glycol and silicon rubber composited on polysulfone will permit greater selectivity accompanied by a high flux rate in the separation process.

Hydrogen transport membranes for dehydrogenation reactions

DOEpatents

Balachandran,; Uthamalingam, [Hinsdale, IL

2008-02-12

A method of converting C.sub.2 and/or higher alkanes to olefins by contacting a feedstock containing C.sub.2 and/or higher alkanes with a first surface of a metal composite membrane of a sintered homogenous mixture of an Al oxide or stabilized or partially stabilized Zr oxide ceramic powder and a metal powder of one or more of Pd, Nb, V, Zr, Ta and/or alloys or mixtures thereof. The alkanes dehydrogenate to olefins by contact with the first surface with substantially only atomic hydrogen from the dehydrogenation of the alkanes passing through the metal composite membrane. Apparatus for effecting the conversion and separation is also disclosed.

Synthesis and Characterization of Luminol Persulphate Chemiluminescence in Aqueous Amines

NASA Astrophysics Data System (ADS)

Raut, V. M.; More, P. S.; Khollam, Y. B.; Sonone, R. S.; Kondawar, S. B.; Koinkar, Pankaj

The chemiluminescence (CL) emission spectra of luminol were recorded using Fuss spectrograph in different aqueous aliphatic amines using sodium persulphate alone and mixture with hydrogen peroxide as an oxidant. The CL emission spectra after resolution showed two emission bands at 425 and 455 nm. The CL mechanism was explained on the basis of two exited state species formed during oxidation of luminol. The CL of luminol is found to be very weak as persulphate slowly produced oxygen. The glow become intense with time as more and more oxygen is made available for oxidation of luminol. The mixture of hydrogen peroxide and sodium persulphate is found to be more effective in producing intense and long lived CL glow for luminol. The CL emission band of luminol by using sodium persulphate and mixture with hydrogen peroxide is explained on the basis of formation of exited singlet and triplet state of 3-aminophthalate ion (3-APA). The shorter wavelength emission band of 425 nm is found to be very weak in intensity as compared to longer wavelength emission band of 455 nm. Thus phosphoresce is favored in case of persulphate CL of luminol.

Feasibility demonstration of a road vehicle fueled with hydrogen-enriched gasoline

NASA Technical Reports Server (NTRS)

Hoehn, F. W.; Dowdy, M. W.

1974-01-01

Evaluation of the concept of using hydrogen-enriched gasoline in a modified internal combustion engine in order to make possible the burning of ultralean mixtures. The use of such an engine in a road vehicle demonstrated that the addition of small quantities of gaseous hydrogen to gasoline resulted in significant reductions in exhaust emissions of carbon monoxide and nitrogen oxides as well as in thermal efficiency improvements of the engine performance.

Transport properties of an asymmetric mixture in the dense plasma regime

DOE PAGES

Ticknor, Christopher; Kress, Joel David; Collins, Lee A.; ...

2016-06-23

Here, we study how concentration changes ionic transport properties along isobars-isotherms for a mixture of hydrogen and silver, representative of turbulent layers relevant to inertial confinement fusion and astrophysics. Hydrogen will typically be fully ionized while silver will be only partially ionized but can have a large effective charge. This will lead to very different physical conditions for the H and Ag. Large first principles orbital free molecular dynamics simulations are performed and the resulting transport properties are analyzed. Comparisons are made with transport theory in the kinetic regime and in the coupled regime. The addition of a small amountmore » of heavy element in a light material has a dramatic effect on viscosity and diffusion of the mixture. This effect is explained through kinetic theory as a manifestation of a crossover between classical diffusion and Lorentz diffusion.« less

Electrochemical separation and concentration of hydrogen sulfide from gas mixtures

DOEpatents

Winnick, Jack; Sather, Norman F.; Huang, Hann S.

1984-10-30

A method of removing sulfur oxides of H.sub.2 S from high temperature gas mixtures (150.degree.-1000.degree. C.) is the subject of the present invention. An electrochemical cell is employed. The cell is provided with inert electrodes and an electrolyte which will provide anions compatible with the sulfur containing anions formed at the anode. The electrolyte is also selected to provide inert stable cations at the temperatures encountered. The gas mixture is passed by the cathode where the sulfur gases are converted to SO.sub.4 -- or, in the case of H.sub.2 S, to S--. The anions migrate to the anode where they are converted to a stable gaseous form at much greater concentration levels (>10X). Current flow may be effected by utilizing an external source of electrical energy or by passing a reducing gas such as hydrogen past the anode.

ELECTROCHEMICAL SEPARATION AND CONCENTRATION OF HYDROGEN SULFIDE FROM GAS MIXTURES

DOEpatents

Winnick, Jack; Sather, Norman F.; Huang, Hann S.

1984-10-30

A method of removing sulfur oxides of H.sub.2 S from high temperature gas mixtures (150.degree.-1000.degree. C.) is the subject of the present invention. An electrochemical cell is employed. The cell is provided with inert electrodes and an electrolyte which will provide anions compatible with the sulfur containing anions formed at the anode. The electrolyte is also selected to provide inert stable cations at the temperatures encountered. The gas mixture is passed by the cathode where the sulfur gases are converted to SO.sub.4 -- or, in the case of H.sub.2 S, to S--. The anions migrate to the anode where they are converted to a stable gaseous form at much greater concentration levels (>10X). Current flow may be effected by utilizing an external source of electrical energy or by passing a reducing gas such as hydrogen past the anode.

Validation of a mixture-averaged thermal diffusion model for premixed lean hydrogen flames

NASA Astrophysics Data System (ADS)

Schlup, Jason; Blanquart, Guillaume

2018-03-01

The mixture-averaged thermal diffusion model originally proposed by Chapman and Cowling is validated using multiple flame configurations. Simulations using detailed hydrogen chemistry are done on one-, two-, and three-dimensional flames. The analysis spans flat and stretched, steady and unsteady, and laminar and turbulent flames. Quantitative and qualitative results using the thermal diffusion model compare very well with the more complex multicomponent diffusion model. Comparisons are made using flame speeds, surface areas, species profiles, and chemical source terms. Once validated, this model is applied to three-dimensional laminar and turbulent flames. For these cases, thermal diffusion causes an increase in the propagation speed of the flames as well as increased product chemical source terms in regions of high positive curvature. The results illustrate the necessity for including thermal diffusion, and the accuracy and computational efficiency of the mixture-averaged thermal diffusion model.

Microplastics co-gasification with biomass: Modelling syngas characteristics at low temperatures

NASA Astrophysics Data System (ADS)

Ramos, Ana; Tavares, Raquel; Rouboa, Abel

2018-05-01

To assess the syngas produced through the gasification of microplastics at low temperatures, distinct blends of polyethylene terephthalate (PET) with biomass (vine pruning) were modelled using Aspen Plus. Critical gasification parameters such as co-fuel mixture, temperature and hydrogen production were evaluated, under two different gasifier agents (air and O2). Results have shown that higher PET ratios and higher temperatures (< 1200 °C) lead to enhanced hydrogen yields, for both atmospheres. The calorific content was also seen to increase with growing temperatures, superior LHV being achieved for the mixture with less microplastics fraction (9.2 MJ/Nm3) for both air and O2 environments. A final high-quality syngas was achieved, the dominant requirement determining which parameter to optimize: on one hand, higher H2 contents were seen for the blend with higher microplastic fraction, and on the other higher LHV was achieved for the equimolar mixture.

Chemically bonded phospho-silicate ceramics

DOEpatents

Wagh, Arun S.; Jeong, Seung Y.; Lohan, Dirk; Elizabeth, Anne

2003-01-01

A chemically bonded phospho-silicate ceramic formed by chemically reacting a monovalent alkali metal phosphate (or ammonium hydrogen phosphate) and a sparsely soluble oxide, with a sparsely soluble silicate in an aqueous solution. The monovalent alkali metal phosphate (or ammonium hydrogen phosphate) and sparsely soluble oxide are both in powder form and combined in a stochiometric molar ratio range of (0.5-1.5):1 to form a binder powder. Similarly, the sparsely soluble silicate is also in powder form and mixed with the binder powder to form a mixture. Water is added to the mixture to form a slurry. The water comprises 50% by weight of the powder mixture in said slurry. The slurry is allowed to harden. The resulting chemically bonded phospho-silicate ceramic exhibits high flexural strength, high compression strength, low porosity and permeability to water, has a definable and bio-compatible chemical composition, and is readily and easily colored to almost any desired shade or hue.

Method of removing hydrogen sulfide from gases utilizing a zinc oxide sorbent and regenerating the sorbent

DOEpatents

Jalan, Vinod M.; Frost, David G.

1984-01-01

A spent solid sorbent resulting from the removal of hydrogen sulfide from a fuel gas flow is regenerated with a steam-air mixture. The mixture of steam and air may also include additional nitrogen or carbon dioxide. The gas mixture contacts the spent sorbent containing metal sulfide at a temperature above 500.degree. C. to regenerate the sulfide to metal oxide or carbonate. Various metal species including the period four transition metals and the lanthanides are suitable sorbents that may be regenerated by this method. In addition, the introduction of carbon dioxide gas permits carbonates such as those of strontium, barium and calcium to be regenerated. The steam permits regeneration of spent sorbent without formation of metal sulfate. Moreover, the regeneration will proceed with low oxygen concentrations and will occur without the increase in temperature to minimize the risk of sintering and densification of the sorbent.

Distribution of short block copolymer chains in Binary Blends of Block Copolymers Having Hydrogen Bonding

NASA Astrophysics Data System (ADS)

Kwak, Jongheon; Han, Sunghyun; Kim, Jin Kon

2014-03-01

A binary mixture of two block copolymers whose blocks are capable of forming the hydrogen bonding allows one to obtain various microdomains that could not be expected for neat block copolymer. For instance, the binary blend of symmetric polystyrene-block-poly(2-vinylpyridine) copolymer (PS-b-P2VP) and polystyrene-block-polyhydroxystyrene copolymer (PS-b-PHS) blends where the hydrogen bonding occurred between P2VP and PHS showed hexagonally packed (HEX) cylindrical and body centered cubic (BCC) spherical microdomains. To know the exact location of short block copolymer chains at the interface, we synthesized deuterated polystyrene-block-polyhydroxystyrene copolymer (dPS-b-PHS) and prepared a binary mixture with PS-b-P2VP. We investigate, via small angle X-ray scattering (SAXS) and neutron reflectivity (NR), the exact location of shorter dPS block chain near the interface of the microdomains.

Diffusion of gas mixtures in the sI hydrate structure

NASA Astrophysics Data System (ADS)

Waage, Magnus H.; Trinh, Thuat T.; van Erp, Titus S.

2018-06-01

Replacing methane with carbon dioxide in gas hydrates has been suggested as a way of harvesting methane, while at the same time storing carbon dioxide. Experimental evidence suggests that this process is facilitated if gas mixtures are used instead of pure carbon dioxide. We studied the free energy barriers for diffusion of methane, carbon dioxide, nitrogen, and hydrogen in the sI hydrate structure using molecular simulation techniques. Cage hops between neighboring cages were considered with and without a water vacancy and with a potential inclusion of an additional gas molecule in either the initial or final cage. Our results give little evidence for enhanced methane and carbon dioxide diffusion if nitrogen is present as well. However, the inclusion of hydrogen seems to have a substantial effect as it diffuses rapidly and can easily enter occupied cages, which reduces the barriers of diffusion for the gas molecules that co-occupy a cage with hydrogen.

High energy chemical laser system

DOEpatents

Gregg, D.W.; Pearson, R.K.

1975-12-23

A high energy chemical laser system is described wherein explosive gaseous mixtures of a reducing agent providing hydrogen isotopes and interhalogen compounds are uniformly ignited by means of an electrical discharge, flash- photolysis or an electron beam. The resulting chemical explosion pumps a lasing chemical species, hydrogen fluoride or deuterium fluoride which is formed in the chemical reaction. The generated lasing pulse has light frequencies in the 3- micron range. Suitable interhalogen compounds include bromine trifluoride (BrF$sub 3$), bromine pentafluoride (BrF$sub 5$), chlorine monofluoride (ClF), chlorine trifluoride (ClF$sub 3$), chlorine pentafluoride (ClF$sub 5$), iodine pentafluoride (IF$sub 5$), and iodine heptafluoride (IF$sub 7$); and suitable reducing agents include hydrogen (H$sub 2$), hydrocarbons such as methane (CH$sub 4$), deuterium (D$sub 2$), and diborane (B$sub 2$H$sub 6$), as well as combinations of the gaseous compound and/or molecular mixtures of the reducing agent.

Quantifying Ab Initio Equation of State Errors for Hydrogen-Helium Mixtures

NASA Astrophysics Data System (ADS)

Clay, Raymond; Morales, Miguel

2017-06-01

In order to produce predictive models of Jovian planets, an accurate equation of state for hydrogen-helium mixtures is needed over pressure and temperature ranges spanning multiple orders of magnitude. While extensive theoretical work has been done in this area, previous controversies regarding the equation of state of pure hydrogen have demonstrated exceptional sensitivity to approximations commonly employed in ab initio calculations. To this end, we present the results of our quantum Monte Carlo based benchmarking studies for several major classes of density functionals. Additionally, we expand upon our published results by considering the impact that ionic finite size effects and density functional errors translate to errors in the equation of state. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Oxidation and Destruction of Polyvinyl Alcohol under the Combined Action of Ozone-Oxygen Mixture and Hydrogen Peroxide

NASA Astrophysics Data System (ADS)

Zimin, Yu. S.; Kutlugil'dina, G. G.; Mustafin, A. G.

2018-03-01

The oxidative transformations of a polyvinyl alcohol in aqueous solutions are studied under the simultaneous action of the two oxidizing agents, an ozone-oxygen mixture and a hydrogen peroxide. Effective parameters a and b, which characterize the first and second channels of carboxyl group accumulation, respectively, grow linearly upon an increase in the initial concentration of H2O2. After the temperature dependence of a and b parameters (331-363 K) in a PVA + O3 + O2 + H2O2 + H2O reaction system is studied, the parameters of the activation of COOH group accumulation are found (where PVA is a polyvinyl alcohol). New data on the effect process conditions (length of oxidation, temperature, and hydrogen peroxide concentration) have on the degree of destructive transformations of polyvinyl alcohol in the investigated reaction system are obtained.

A carbon-13 and proton nuclear magnetic resonance study of some experimental referee broadened-specification /ERBS/ turbine fuels

NASA Technical Reports Server (NTRS)

Dalling, D. K.; Pugmire, R. J.

1982-01-01

Preliminary results of a nuclear magnetic resonance (NMR) spectroscopy study of alternative jet fuels are presented. A referee broadened-specification (ERBS) aviation turbine fuel, a mixture of 65 percent traditional kerosene with 35 percent hydrotreated catalytic gas oil (HCGO) containing 12.8 percent hydrogen, and fuels of lower hydrogen content created by blending the latter with a mixture of HCGO and xylene bottoms were studied. The various samples were examined by carbon-13 and proton NMR at high field strength, and the resulting spectra are shown. In the proton spectrum of the 12.8 percent hydrogen fuel, no prominent single species is seen while for the blending stock, many individual lines are apparent. The ERBS fuels were fractionated by high-performance liquid chromatography and the resulting fractions analyzed by NMR. The species found are identified.

Technical prospects for commercial and residential distribution and utilization of hydrogen

NASA Technical Reports Server (NTRS)

Pangborn, J.; Scott, M.; Sharer, J.

1976-01-01

Various investigators have assumed that hydrogen will be compatible with conventional gas delivery systems and that, with minor modifications, hydrogen can be utilized in existing equipment for heating and cooking. The paper addresses some of the issues of concern in the compatibility of natural gas systems with hydrogen and hydrogen mixtures and identifies areas for which tests, research, or development are appropriate. Requirements to be met by atmospheric burners built for most commercial and residential gas appliances are discussed. Expected modifications to appliances for satisfactory operation with hydrogen are closing the primary air shutters, replacing the burners, adjusting the appliance gas regulator for proper delivery pressure, and possibly replacing the gas regulator or its vent.

Implications of electron heating and non-uniformities in a VHF-CCP for sterilization of medical instruments

NASA Astrophysics Data System (ADS)

Stapelmann, Katharina; Fiebrandt, Marcel; Styrnoll, Tim; Baldus, Sabrina; Bibinov, Nikita; Awakowicz, Peter

2015-06-01

A capacitively coupled plasma driven at a frequency of 81.36 MHz from the VHF-band is investigated by means of optical emission spectroscopy (OES) and multipole resonance probe (MRP). The discharge is operated with hydrogen, yielding an electropositive discharge, as well as oxygen, yielding an electronegative discharge, and mixtures of both. Pressure is varied from p=5 Pa to p=25 Pa. Homogeneity of the discharge is investigated by CCD camera recordings as well as spatially resolved multipole resonance probe measurements. The results indicate the presence of electromagnetic edge effects as well as standing wave effects. Furthermore, a largely homogeneous discharge can be achieved with hydrogen as process gas at a pressure of p=5 -10 Pa. With increasing pressure as well as with increasing oxygen content, the discharge appears less homogeneously. The transition from an electropositive to an electronegative discharge leads to a change in electron heating mechanisms, with pronounced local maxima of electron density at the sheath edges. A comparison of OES and MRP results reveal a significant difference in electron density, which can be explained by a non-Maxwellian distribution function of electrons.

Hydrogen transport membranes

DOEpatents

Mundschau, Michael V.

2005-05-31

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

Method And Apparatus For Converting Hydrocarbon Fuel Into Hydrogen Gas And Carbon Dioxide

DOEpatents

Clawson, Lawrence G.; Mitchell, William L.; Bentley, Jeffrey M.; Thijssen, Johannes H. J.

2000-09-26

A method is disclosed for synthesizing hydrogen gas from hydrocarbon fuel. A first mixture of steam and a first fuel is directed into a first tube 208 to subject the first mixture to a first steam reforming reaction in the presence of a first catalyst 214. A stream of oxygen-containing gas is pre-heated by transferring heat energy from product gases. A second mixture of the pre-heated oxygen-containing gas and a second fuel is directed into a second tube 218 disposed about the first tube 208 to subject the second mixture to a partial oxidation reaction and to provide heat energy for transfer to the first tube 208. A first reaction reformate from the first tube 208 and a second reaction reformate from the second tube 218 are directed into a third tube 224 disposed about the second tube 218 to subject the first and second reaction reformates to a second steam reforming reaction, wherein heat energy is transferred to the third tube 224 from the second tube 218.

40 CFR 89.312 - Analytical gases.

Code of Federal Regulations, 2012 CFR

2012-07-01

... by dynamic blending. Nitrogen shall be the predominant diluent with the balance oxygen. (e) Fuel for... gases must be available for operation: (1) Purified nitrogen (Contamination ≤ 1 ppm C, ≤ 1 ppm CO, ≤ 400 ppm CO2, ≤ 0.1 ppm NO) (2) [Reserved] (3) Hydrogen-helium mixture (40 ±2 percent hydrogen, balance...

40 CFR 90.312 - Analytical gases.

Code of Federal Regulations, 2010 CFR

2010-07-01

... contentration must be between 0 and 1 percent O2. Nitrogen must be the predominant diluent with the balance... available for operation: (1) Purified nitrogen, also refered to as “zero-grade nitrogen” (Contamination ≤ 1...) Hydrogen-helium mixture (40 ±2 percent hydrogen, balance helium) (Contamination ≤ 1 ppm C, ≤ 400 ppm CO...

40 CFR 90.312 - Analytical gases.

Code of Federal Regulations, 2011 CFR

2011-07-01

... contentration must be between 0 and 1 percent O2. Nitrogen must be the predominant diluent with the balance... available for operation: (1) Purified nitrogen, also refered to as “zero-grade nitrogen” (Contamination ≤ 1...) Hydrogen-helium mixture (40 ±2 percent hydrogen, balance helium) (Contamination ≤ 1 ppm C, ≤ 400 ppm CO...

40 CFR 90.312 - Analytical gases.

Code of Federal Regulations, 2012 CFR

2012-07-01

... contentration must be between 0 and 1 percent O2. Nitrogen must be the predominant diluent with the balance... available for operation: (1) Purified nitrogen, also refered to as “zero-grade nitrogen” (Contamination ≤ 1...) Hydrogen-helium mixture (40 ±2 percent hydrogen, balance helium) (Contamination ≤ 1 ppm C, ≤ 400 ppm CO...

40 CFR 90.312 - Analytical gases.

Code of Federal Regulations, 2014 CFR

2014-07-01

... contentration must be between 0 and 1 percent O2. Nitrogen must be the predominant diluent with the balance... for operation: (1) Purified nitrogen, also referred to as “zero-grade nitrogen” (Contamination ≤ 1 ppm...) Hydrogen-helium mixture (40 ±2 percent hydrogen, balance helium) (Contamination ≤ 1 ppm C, ≤ 400 ppm CO...

40 CFR 90.312 - Analytical gases.

Code of Federal Regulations, 2013 CFR

2013-07-01

... contentration must be between 0 and 1 percent O2. Nitrogen must be the predominant diluent with the balance... available for operation: (1) Purified nitrogen, also referred to as “zero-grade nitrogen” (Contamination ≤ 1...) Hydrogen-helium mixture (40 ±2 percent hydrogen, balance helium) (Contamination ≤ 1 ppm C, ≤ 400 ppm CO...

40 CFR 89.312 - Analytical gases.

Code of Federal Regulations, 2010 CFR

2010-07-01

... by dynamic blending. Nitrogen shall be the predominant diluent with the balance oxygen. (e) Fuel for... gases must be available for operation: (1) Purified nitrogen (Contamination ≤ 1 ppm C, ≤ 1 ppm CO, ≤ 400 ppm CO2, ≤ 0.1 ppm NO) (2) [Reserved] (3) Hydrogen-helium mixture (40 ±2 percent hydrogen, balance...

40 CFR 89.312 - Analytical gases.

Code of Federal Regulations, 2011 CFR

2011-07-01

... by dynamic blending. Nitrogen shall be the predominant diluent with the balance oxygen. (e) Fuel for... gases must be available for operation: (1) Purified nitrogen (Contamination ≤ 1 ppm C, ≤ 1 ppm CO, ≤ 400 ppm CO2, ≤ 0.1 ppm NO) (2) [Reserved] (3) Hydrogen-helium mixture (40 ±2 percent hydrogen, balance...

40 CFR 89.312 - Analytical gases.

Code of Federal Regulations, 2013 CFR

2013-07-01

... by dynamic blending. Nitrogen shall be the predominant diluent with the balance oxygen. (e) Fuel for... gases must be available for operation: (1) Purified nitrogen (Contamination ≤ 1 ppm C, ≤ 1 ppm CO, ≤ 400 ppm CO2, ≤ 0.1 ppm NO) (2) [Reserved] (3) Hydrogen-helium mixture (40 ±2 percent hydrogen, balance...

40 CFR 89.312 - Analytical gases.

Code of Federal Regulations, 2014 CFR

2014-07-01

... blending. Nitrogen shall be the predominant diluent with the balance oxygen. (e) Fuel for the FID shall be... be available for operation: (1) Purified nitrogen (Contamination ≤ 1 ppm C, ≤ 1 ppm CO, ≤ 400 ppm CO2, ≤ 0.1 ppm NO) (2) [Reserved] (3) Hydrogen-helium mixture (40 ±2 percent hydrogen, balance helium...

Process for synthesis of beryllium chloride dietherate

DOEpatents

Bergeron, Charles; Bullard, John E.; Morgan, Evan

1991-01-01

A low temperature method of producing beryllium chloride dietherate through the addition of hydrogen chloride gas to a mixture of beryllium metal in ether in a reaction vessel is described. A reflux condenser provides an exit for hydrogen produced form the reaction. A distillation condenser later replaces the reflux condenser for purifying the resultant product.

Choline chloride-thiourea, a deep eutectic solvent for the production of chitin nanofibers.

PubMed

Mukesh, Chandrakant; Mondal, Dibyendu; Sharma, Mukesh; Prasad, Kamalesh

2014-03-15

Deep eutectic solvents (DESs) consisting of the mixtures of choline halide (chloride/bromide)-urea and choline chloride-thiourea were used as solvents to prepare α-chitin nanofibers (CNFs). CNFs of diameter 20-30 nm could be obtained using the DESs comprising of the mixture of choline chloride and thiourea (CCT 1:2); however, NFs could not be obtained using the DESs having urea (CCU 1:2) as hydrogen bond donor. The physicochemical properties of thus obtained NFs were compared with those obtained using a couple of imidazolium based ionic liquids namely, 1-butyl-3-methylimidazolium hydrogen sulphate [(Bmim)HSO4] and 1-methylimidazolium hydrogen sulphate [(Hmim)HSO4] as well as choline based bio-ILs namely, choline hydrogen sulphate [(Chol)HSO4] and choline acrylate. The CNFs obtained using the DES as a solvent were used to prepare calcium alginate bio-nanocomposite gel beads having enhanced elasticity in comparison to Ca-alginate beads. The bio-nanocomposite gel beads thus obtained were used to study slow release of 5-fluorouracil, an anticancer drug. Copyright © 2014 Elsevier Ltd. All rights reserved.

Photocatalyzed Hydrogen Evolution from Water by a Composite Catalyst of NH2 -MIL-125(Ti) and Surface Nickel(II) Species.

PubMed

Meyer, Kim; Bashir, Shahid; Llorca, Jordi; Idriss, Hicham; Ranocchiari, Marco; van Bokhoven, Jeroen A

2016-09-19

A composite of the metal-organic framework (MOF) NH 2 -MIL-125(Ti) and molecular and ionic nickel(II) species, catalyzed hydrogen evolution from water under UV light. In 95 v/v % aqueous conditions the composite produced hydrogen in quantities two orders of magnitude higher than that of the virgin framework and an order of magnitude greater than that of the molecular catalyst. In a 2 v/v % water and acetonitrile mixture, the composite demonstrated a TOF of 28 mol H 2  g(Ni) -1  h -1 and remained active for up to 50 h, sustaining catalysis for three times longer and yielding 20-fold the amount of hydrogen. Appraisal of physical mixtures of the MOF and each of the nickel species under identical photocatalytic conditions suggest that similar surface localized light sensitization and proton reduction processes operate in the composite catalyst. Both nickel species contribute to catalytic conversion, although different activation behaviors are observed. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A general mixture equation of state for double bonding carboxylic acids with ≥2 association sites

NASA Astrophysics Data System (ADS)

Marshall, Bennett D.

2018-05-01

In this paper, we obtain the first general multi-component solution to Wertheim's thermodynamic perturbation theory for the case that molecules can participate in cyclic double bonds. In contrast to previous authors, we do not restrict double bonding molecules to a 2-site association scheme. Each molecule in a multi-component mixture can have an arbitrary number of donor and acceptor association sites. The one restriction on the theory is that molecules can have at most one pair of double bonding sites. We also incorporate the effect of hydrogen bond cooperativity in cyclic double bonds. We then apply this new association theory to 2-site and 3-site models for carboxylic acids within the polar perturbed chain statistical associating fluid theory equation of state. We demonstrate the accuracy of the approach by comparison to both pure and multi-component phase equilibria data. It is demonstrated that the 3-site association model gives substantially a different hydrogen bonding structure than a 2-site approach. We also demonstrate that inclusion of hydrogen bond cooperativity has a substantial effect on a liquid phase hydrogen bonding structure.

Effects of alcohols, povidone-iodine and hydrogen peroxide on biofilms of Staphylococcus epidermidis.

PubMed

Presterl, Elisabeth; Suchomel, Miranda; Eder, Michaela; Reichmann, Sonja; Lassnigg, Andrea; Graninger, Wolfgang; Rotter, Manfred

2007-08-01

To test the effects of several biocides [N-propanol, a commercially available propanol/ethanol/chlorhexidine mixture, polyvinylpyrolidone (povidone-iodine) and hydrogen peroxide] on established biofilms of Staphylococcus epidermidis isolated from patients with cardiac implant infections and catheter-related bacteraemia. Biofilms were grown in microtitre plates for 24 h, dyed and stained with Crystal Violet. The mean optical density (OD) and the OD ratio (ODr=OD of the treated biofilm/OD of the untreated biofilm) were used for quantification. Biofilms were incubated with 60% (v/v) N-propanol, the mixture of propanol/ethanol/chlorhexidine, hydrogen peroxide at three concentrations (0.5%, 3% and 5%, v/v) and povidone-iodine for 1, 5, 15, 30 and 60 min. Unstained biofilms were sonicated and plated on Columbia agar for time-kill curves. S. epidermidis skin isolates from healthy volunteers were used as controls. Biofilm ODs of the clinical S. epidermidis isolates and the isolates from the healthy volunteers were significantly different (1.17+/-0.512 versus 0.559+/-0.095, respectively; mean+/-SD) (P<0.01). No viable S. epidermidis was detected in biofilms treated with the alcohols, N-propanol or the propanol/ethanol/chlorhexidine mixture. Incubation with povidone-iodine and hydrogen peroxide 3% and 5% led to a log reduction of the viable cells of >5 after incubation for 5 min, however, up to 10(3) viable cells were detected in four isolates after 30 min of incubation with povidone-iodine. S. epidermidis obtained from infected implants forms thicker biofilms than that of healthy volunteers. Hydrogen peroxide, at a concentration of 3% and 5%, and alcohols rapidly eradicate S. epidermidis biofilms, whereas povidone-iodine is less effective.

Process for obtaining liquid fuel-oil and/or gaseous hydrocarbons from solid carbonaceous feed stocks

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

Hollaway, J.W.

1978-02-28

A process for forming a fuel-oil from coal is disclosed. The coal is treated in a low temperature carbonization retort to give coke, coal-gas and tar-oil. The coke is converted to water-gas which is then synthesized in a Fischer-Tropsch synthesizer to form fuel-oil. The tar-oil is hydrogenated in a hydro-treater by hydrogen produced from the coal-gas. Hydrogen is produced from coal-gas either in a thermal cracking chamber or by reforming the methane content to hydrogen and passing the resultant hydrogen/carbon monoxide mixture through a water-gas shift reactor and a carbon dioxide scrubber.

Catalytic conversion of cellulose to liquid hydrocarbon fuels by progressive removal of oxygen to facilitate separation processes and achieve high selectivities

DOEpatents

Dumesic, James A [Verona, WI; Ruiz, Juan Carlos Serrano [Madison, WI; West, Ryan M [Madison, WI

2012-04-03

Described is a method to make liquid chemicals, such as functional intermediates, solvents, and liquid fuels from biomass-derived cellulose. The method is cascading; the product stream from an upstream reaction can be used as the feedstock in the next downstream reaction. The method includes the steps of deconstructing cellulose to yield a product mixture comprising levulinic acid and formic acid, converting the levulinic acid to .gamma.-valerolactone, and converting the .gamma.-valerolactone to pentanoic acid. Alternatively, the .gamma.-valerolactone can be converted to a mixture of n-butenes. The pentanoic acid so formed can be further reacted to yield a host of valuable products. For example, the pentanoic acid can be decarboxylated yield 1-butene or ketonized to yield 5-nonanone. The 5-nonanone can be hydrodeoxygenated to yield nonane, or 5-nonanone can be reduced to yield 5-nonanol. The 5-nonanol can be dehydrated to yield nonene, which can be dimerized to yield a mixture of C.sub.9 and C.sub.18 olefins, which can be hydrogenated to yield a mixture of alkanes. Alternatively, the nonene may be isomerized to yield a mixture of branched olefins, which can be hydrogenated to yield a mixture of branched alkanes. The mixture of n-butenes formed from .gamma.-valerolactone can also be subjected to isomerization and oligomerization to yield olefins in the gasoline, jet and Diesel fuel ranges.

Hydrogen Incorporation into Olivine at 9-15 GPa: Implication for Water Dynamics near the 410-km Seismic Discontinuity

NASA Astrophysics Data System (ADS)

Litasov, K.; Ohtani, E.; Kagi, H.; Shatskiy, A.; Ghosh, S.; Lakshtanov, D.; Bass, J.; Matveev, S.

2006-12-01

The hydrogen solubility and hydrogen incorporation mechanism into (Mg,Fe)2SiO4 olivine have been studied at pressures of 9-15 GPa and temperatures of 1100-2000°C. Samples were synthesized using a multianvil apparatus from Fo90 + 4-15 wt.% H2O mixture without controlling oxygen fugacity. Also, pure forsterite crystals were synthesized in KHCO3-Mg(OH)2 flux. Samples were studied by Fourier Transform Infrared spectroscopy (FTIR) and H (H2O) contents were calculated from IR spectra using the calibration by Bell et al. (2003). The hydrogen solubility increases with pressure, but the temperature dependence is complex. The hydrogen solubility increases from 1100-1400°C and then decreases at 1400-2000°C. Maximum hydrogen solubility, equivalent to 1.15 wt.% H2O, was determined in olivine at 13.5 GPa and 1400°C. At temperatures of 1800-2000°C the H2O contents of olivine are very low (280-590 ppm). Hydrogen solubility in Fo90 is consistent with that in pure forsterite studied by Lemaire et al. (2004) and Smyth et al. (2006) indicating minor influence of Fe on hydrogen incorporation. The IR spectra of olivines are composed of several OH absorption bands at 3300-3613 cm-1. IR spectra with the E-field vector parallel to the a-axis show the strongest absorbance, dominated by peaks at 3613 and 3579 cm-1. Although structural calculations are consistent with hydrogen incorporation into octahedral vacancies in olivine (e.g. Smyth et al., 2006; Kudoh et al., 2006) we strongly suggest that majority of observed peaks (at 3533, 3548, 3566, 3579, and 3613 cm-1) are due to hydrogen associated with Si- vacancies. This is consistent with microprobe analyses of the samples, which show a clear deficit of Si in olivines at the highest H2O-contents. Minor bands at 3300-3400 cm-1 may be due to Fe3+ substitution and those at 3400-3500 cm-1 due to vacancies in Mg structural positions. The peak at 3598 cm-1 previously attributed to Mg-vacancies should be addressed to Si-vacancies. The strongest peaks corresponding to Mg vacancies (or OH interstitials) at 3160 and 3220 cm-1 are absent. These conclusions are consistent with molecular dynamic calculations (e.g. Brodholt and Refson, 2000) and IR observations of olivines synthesized under controlled SiO2 and MgO activities (Matveev et al., 2001; 2005; Lemaire et al., 2004; Berry et al., 2005). Significant hydrogen incorporation on Si-site vacancies in olivine is important for hydrogen diffusion models for olivine, which have been studied only for the case where hydrogen incorporation into Mg-Fe-vacancies dominates. A revision of structural refinements of hydrous olivine might be necessary. Discrimination of IR absorption bands between Si- and Mg-vacancies in the olivine structure has an important implication for natural olivines in kimberlites, to determine the style of mantle metasomatism (e.g. silicate melt metasomatism, with high SiO2 activity, versus carbonatitic, with high activity of MgO), relation to their depth of origin, oxidation state, and geodynamic settings.

Harnessing dark fermentative hydrogen from pretreated mixture of food waste and sewage sludge under sequencing batch mode.

PubMed

Nam, Joo-Youn; Kim, Dong-Hoon; Kim, Sang-Hyoun; Lee, Wontae; Shin, Hang-Sik; Kim, Hyun-Woo

2016-04-01

Food waste and sewage sludge are the most abundant and problematic organic wastes in any society. Mixture of these two wastes may provide appropriate substrate condition for dark fermentative biohydrogen production based on synergistic mutual benefits. This work evaluates continuous hydrogen production from the cosubstrate of food waste and sewage sludge to verify mechanisms of performance improvement in anaerobic sequencing batch reactors. Volatile solid concentration and mixing ratio of food waste and sludge were adjusted to 5 % and 80:20, respectively. Five different hydraulic retention times (HRT) of 36, 42, 48, 72, and 108 h were tested using anaerobic sequencing batch reactors to find out optimal operating condition. Results show that the best performance was achieved at HRT 72 h, where the hydrogen yield, the hydrogen production rate, and hydrogen content were 62.0 mL H2/g VS, 1.0 L H2/L/day, and ~50 %, respectively. Sufficient solid retention time (143 h) and proper loading rate (8.2 g COD/L/day as carbohydrate) at HRT 72h led to the enhanced performance with better hydrogen production showing appropriate n-butyrate/acetate (B/A) ratio of 2.6. Analytical result of terminal-restriction fragment length polymorphism revealed that specific peaks associated with Clostridium sp. and Bacillus sp. were strongly related to enhanced hydrogen production from the cosubstrate of food waste and sewage sludge.

Hair highlights and severe acute irritant dermatitis ("burn") of the scalp.

PubMed

Chan, Heidi P; Maibach, Howard I

2010-12-01

These days, most celebrities--young and old--have their hair highlighted. That is why it is not surprising that even the youth have their hair highlighted as they emulate their favorite actors, unaware of the harmful consequences of this unsafe procedure. Hair highlighting involves decolorizing melanin pigments of select hair strands through an oxidation reaction under alkaline conditions by the active ingredients of the highlighting mixture--hydrogen peroxide, persulfates, and metasilicate. Hydrogen peroxide and the persulfates are flammable, necessitating that regulatory bodies (namely, the U.S. Food and Drug Administration [FDA] and the Cosmetic Ingredient Review [CIR] Expert Panel, the European Union's (EU), European Economic Community [EEC] directives, the Australian government's National Industrial Chemicals Notification and Assessment Scheme [NICNAS], and the Association of Southeast Asian Nations [ASEAN]) to regulate the permissible amounts of these chemicals in hair highlighting products. To review published case reports of resulting in severe acute irritant dermatitis ("burns") of the scalp caused by hair highlighting, to explain why these scalp burns happen, to identify preventive measures to avoid such occurrences, and to discuss the implications for society. We searched medical and scientific search engines and used keywords such as hair highlights, scalp burn, and other related terms.. Six articles were obtained, yielding 8 reported cases (2 of the 6 articles had 2 cases each) of hair highlighting resulting in scalp burns; these 8 cases were reviewed and analyzed. Five of the 8 patients belonged to the pediatric age group. The causes of scalp burn were classified into 2 categories: chemical (caustic nature of the highlighting mixture, spillage of the hot mixture, toxic reaction to the dyes) and thermal (by contact of the scalp with overheated aluminum foil and by the blow dryer). The 5 pediatric patients in the group unnecessarily suffered pain and embarrassment caused by this procedure, as well as the risk of developing malignancy in the future. Hairstylists play a large role in the occurrence of scalp burns. Thus, they need to be careful and knowledgeable of the caustic nature of the highlighting mixture and the potential harm these chemicals may cause. The authors strongly propose that the relevant regulatory bodies review the permissible levels of the caustic chemicals, and that this unsafe procedure should be performed only on adults.

Hydrogen atom initiated chemistry. [chemical evolution in planetary atmospheres

NASA Technical Reports Server (NTRS)

Hong, J. H.; Becker, R. S.

1979-01-01

H Atoms have been created by the photolysis of H2S. These then initiated reactions in mixtures involving acetylene-ammonia-water and ethylene-ammonia-water. In the case of the acetylene system, the products consisted of two amino acids, ethylene and a group of primarily cyclic thio-compounds, but no free sulfur. In the case of the ethylene systems, seven amino acids, including an aromatic one, ethane, free sulfur, and a group of solely linear thio-compounds were produced. Total quantum yields for the production of amino acids were about 3 x 10 to the -5th and about 2 x 10 to the -4th with ethylene and acetylene respectively as carbon substrates. Consideration is given of the mechanism for the formation of some of the products and implications regarding planetary atmosphere chemistry, particularly that of Jupiter, are explored.

Characterization and comparison of lidocaine-tetracaine and lidocaine-camphor eutectic mixtures based on their crystallization and hydrogen-bonding abilities.

PubMed

Gala, Urvi; Chuong, Monica C; Varanasi, Ravi; Chauhan, Harsh

2015-06-01

Eutectic mixtures formed between active pharmaceutical ingredients and/or excipients provide vast scope for pharmaceutical applications. This study aimed at the exploration of the crystallization abilities of two eutectic mixtures (EM) i.e., lidocaine-tetracaine and lidocaine-camphor (1:1 w/w). Thermogravimetric analysis (TGA) for degradation behavior whereas modulated temperature differential scanning calorimetry (MTDSC) set in first heating, cooling, and second heating cycles, was used to qualitatively analyze the complex exothermic and endothermic thermal transitions. Raman microspectroscopy characterized vibrational information specific to chemical bonds. Prepared EMs were left at room temperature for 24 h to visually examine their crystallization potentials. The degradation of lidocaine, tetracaine, camphor, lidocaine-tetracaine EM, and lidocaine-camphor EM began at 196.56, 163.82, 76.86, 146.01, and 42.72°C, respectively, which indicated that eutectic mixtures are less thermostable compared to their individual components. The MTDSC showed crystallization peaks for lidocaine, tetracaine, and camphor at 31.86, 29.36, and 174.02°C, respectively (n = 3). When studying the eutectic mixture, no crystallization peak was observed in the lidocaine-tetracaine EM, but a lidocaine-camphor EM crystallization peak was present at 18.81°C. Crystallization occurred in lidocaine-camphor EM after being kept at room temperature for 24 h, but not in lidocaine-tetracaine EM. Certain peak shifts were observed in Raman spectra which indicated possible interactions of eutectic mixture components, when a eutectic mixture was formed. We found that if the components forming a eutectic mixture have crystallization peaks close to each other and have sufficient hydrogen-bonding capability, then their eutectic mixture is least likely to crystallize out (as seen in lidocaine-tetracaine EM) or vice versa (lidocaine-camphor EM).

Hydrogen Absorption in Fluids: An Unexplored Solution for Onboard Hydrogen Storage

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

Berry, G D

Adoption of hydrogen (H{sub 2}) vehicles has been advocated for decades as an ecological ideal, capable of eliminating petroleum consumption as well as tail-pipe air pollution and carbon dioxide (CO{sub 2}) from automobiles. Storing sufficient hydrogen fuel onboard still remains a great technological challenge, despite recent advances in lightweight automotive materials, hybrid-electric drivetrains and fuel cells enabling 60-100 mpg equivalent H{sub 2}-fueled automobiles. Future onboard hydrogen storage choices will be pivotal, with lasting strategic consequences for the eventual scale, shape, security, investment requirements, and energy intensity of the H{sub 2} refueling infrastructure, in addition to impacts on automotive design, cost,more » range, performance, and safety. Multiple hydrogen storage approaches have been examined and deployed onboard prototype automobiles since the 1970's. These include storing H{sub 2} as a cryogenic liquid (LH{sub 2}) at temperatures of 20-25 Kelvin, compressing room temperature H{sub 2} gas to pressures as high as 10,000 psi, and reversible chemical absorption storage within powdered metal hydrides (e.g. LaNi{sub 5}H{sub 6}, TiFeH{sub 2}, MgH{sub 2}, NaAlH{sub 4}) which evolve H{sub 2} when warmed. Each of these approaches face well-known fundamental physical limits (thermal endurance, volume, and weight, respectively). This report details preliminary experiments investigating the potential of a new approach to H{sub 2} storage: absorption in fluids, specifically liquid nitrogen (LN{sub 2}). N{sub 2} was chosen for this study because it offers unique advantages as an inert but lightweight solvent with high hydrogen solubility and is an abundant atmospheric component. H{sub 2} absorbed in liquid nitrogen (LN{sub 2}) can be lighter than metal hydrides, with greater thermal endurance than cryogenic H{sub 2} or LH{sub 2}, while being more compact than ambient compressed H{sub 2}. Previous researchers have examined H{sub 2} mixed with a variety of simple molecular fluids (N{sub 2}, Ar, CH{sub 4}, CO). These studies were mainly aimed at the general problem of fluid phase equilibria of H{sub 2} mixtures, and focused on identification and prediction of fluid/liquid phase boundary pressures and temperatures. In contrast, the present experiments are aimed at measuring the PVT properties of H{sub 2}/N{sub 2} mixtures with a view toward evaluating the applicability of these mixtures for onboard automotive H{sub 2} storage. To our knowledge, the experiments conducted for this project are the first systematic density measurements of H{sub 2}/N{sub 2} mixtures at cryogenic temperatures. H{sub 2}/N{sub 2} mixtures containing 50, 60, and 70% mole fraction H{sub 2} were examined at temperatures of 77 K, 87 K, and 273 K, under pressures ranging from 500 to 30,000 psi (from 34 to 2000 atm), corresponding to molar densities of 15-30 moles per liter.« less

Turbulent Flame Propagation Characteristics of High Hydrogen Content Fuels

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

Seitzman, Jerry; Lieuwen, Timothy

2014-09-30

This final report describes the results of an effort to better understand turbulent flame propagation, especially at conditions relevant to gas turbines employing fuels with syngas or hydrogen mixtures. Turbulent flame speeds were measured for a variety of hydrogen/carbon monoxide (H2/CO) and hydrogen/methane (H2/CH4) fuel mixtures with air as the oxidizer. The measurements include global consumption speeds (ST,GC) acquired in a turbulent jet flame at pressures of 1-10 atm and local displacement speeds (ST,LD) acquired in a low-swirl burner at atmospheric pressure. The results verify the importance of fuel composition in determining turbulent flame speeds. For example, different fuel-air mixturesmore » having the same unstretched laminar flame speed (SL,0) but different fuel compositions resulted in significantly different ST,GC for the same turbulence levels (u'). This demonstrates the weakness of turbulent flame speed correlations based simply on u'/SL,0. The results were analyzed using a steady-steady leading points concept to explain the sensitivity of turbulent burning rates to fuel (and oxidizer) composition. Leading point theories suggest that the premixed turbulent flame speed is controlled by the flame front characteristics at the flame brush leading edge, or, in other words, by the flamelets that advance farthest into the unburned mixture (the so-called leading points). For negative Markstein length mixtures, this is assumed to be close to the maximum stretched laminar flame speed (SL,max) for the given fuel-oxidizer mixture. For the ST,GC measurements, the data at a given pressure were well-correlated with an SL,max scaling. However the variation with pressure was not captured, which may be due to non-quasi-steady effects that are not included in the current model. For the ST,LD data, the leading points model again faithfully captured the variation of turbulent flame speed over a wide range of fuel-compositions and turbulence intensities. These results provide evidence that the leading points model can provide useful predictions of turbulent flame speed over a wide range of operating conditions and flow geometries.« less

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

Wolverton, Christopher; Ozolins, Vidvuds; Kung, Harold H.

The objective of the proposed program is to discover novel mixed hydrides for hydrogen storage, which enable the DOE 2010 system-level goals. Our goal is to find a material that desorbs 8.5 wt.% H 2 or more at temperatures below 85°C. The research program will combine first-principles calculations of reaction thermodynamics and kinetics with material and catalyst synthesis, testing, and characterization. We will combine materials from distinct categories (e.g., chemical and complex hydrides) to form novel multicomponent reactions. Systems to be studied include mixtures of complex hydrides and chemical hydrides [e.g. LiNH 2+NH 3BH 3] and nitrogen-hydrogen based borohydrides [e.g.more » Al(BH 4) 3(NH 3) 3]. The 2010 and 2015 FreedomCAR/DOE targets for hydrogen storage systems are very challenging, and cannot be met with existing materials. The vast majority of the work to date has delineated materials into various classes, e.g., complex and metal hydrides, chemical hydrides, and sorbents. However, very recent studies indicate that mixtures of storage materials, particularly mixtures between various classes, hold promise to achieve technological attributes that materials within an individual class cannot reach. Our project involves a systematic, rational approach to designing novel multicomponent mixtures of materials with fast hydrogenation/dehydrogenation kinetics and favorable thermodynamics using a combination of state-of-the-art scientific computing and experimentation. We will use the accurate predictive power of first-principles modeling to understand the thermodynamic and microscopic kinetic processes involved in hydrogen release and uptake and to design new material/catalyst systems with improved properties. Detailed characterization and atomic-scale catalysis experiments will elucidate the effect of dopants and nanoscale catalysts in achieving fast kinetics and reversibility. And, state-of-the-art storage experiments will give key storage attributes of the investigated reactions, validate computational predictions, and help guide and improve computational methods. In sum, our approach involves a powerful blend of: 1) H2 Storage measurements and characterization, 2) State-of-the-art computational modeling, 3) Detailed catalysis experiments, 4) In-depth automotive perspective.« less

Urea and deuterium mixtures at high pressures

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

Donnelly, M., E-mail: m.donnelly-2@sms.ed.ac.uk; Husband, R. J.; Frantzana, A. D.

2015-03-28

Urea, like many network forming compounds, has long been known to form inclusion (guest-host) compounds. Unlike other network formers like water, urea is not known to form such inclusion compounds with simple molecules like hydrogen. Such compounds if they existed would be of interest both for the fundamental insight they provide into molecular bonding and as potential gas storage systems. Urea has been proposed as a potential hydrogen storage material [T. A. Strobel et al., Chem. Phys. Lett. 478, 97 (2009)]. Here, we report the results of high-pressure neutron diffraction studies of urea and D{sub 2} mixtures that indicate nomore » inclusion compound forms up to 3.7 GPa.« less

Differential atmospheric tritium sampler

DOEpatents

Griesbach, Otto A.; Stencel, Joseph R.

1990-01-01

An atmospheric tritium sampler is provided which uses a carrier gas comprised of hydrogen gas and a diluting gas, mixed in a nonexplosive concentration. Sample air and carrier gas are drawn into and mixed in a manifold. A regulator meters the carrier gas flow to the manifold. The air sample/carrier gas mixture is pulled through a first moisture trap which adsorbs water from the air sample. The mixture then passes through a combustion chamber where hydrogen gas in the form of H.sub.2 or HT is combusted into water. The manufactured water is transported by the air stream to a second moisture trap where it is adsorbed. The air is then discharged back into the atmosphere by means of a pump.

Effect of open metal sites on adsorption of polar and nonpolar molecules in metal-organic framework Cu-BTC.

PubMed

Karra, Jagadeswara R; Walton, Krista S

2008-08-19

Atomistic grand canonical Monte Carlo simulations were performed in this work to investigate the role of open copper sites of Cu-BTC in affecting the separation of carbon monoxide from binary mixtures containing methane, nitrogen, or hydrogen. Mixtures containing 5%, 50%, or 95% CO were examined. The simulations show that electrostatic interactions between the CO dipole and the partial charges on the metal-organic framework (MOF) atoms dominate the adsorption mechanism. The binary simulations show that Cu-BTC is quite selective for CO over hydrogen and nitrogen for all three mixture compositions at 298 K. The removal of CO from a 5% mixture with methane is slightly enhanced by the electrostatic interactions of CO with the copper sites. However, the pore space of Cu-BTC is large enough to accommodate both molecules at their pure-component loadings, and in general, Cu-BTC exhibits no significant selectivity for CO over methane for the equimolar and 95% mixtures. On the basis of the pure-component and low-concentration behavior of CO, the results indicate that MOFs with open metal sites have the potential for enhancing adsorption separations of molecules of differing polarities, but the pore size relative to the sorbate size will also play a significant role.

Verification of kinetic schemes of hydrogen ignition and combustion in air

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Improved dehydrogenation performance of LiBH4 by 3D hierarchical flower-like MoS2 spheres additives

NASA Astrophysics Data System (ADS)

Zhao, Yan; Liu, Yongchang; Liu, Huiqiao; Kang, Hongyan; Cao, Kangzhe; Wang, Qinghong; Zhang, Chunling; Wang, Yijing; Yuan, Huatang; Jiao, Lifang

2015-12-01

In this work, 3D hierarchical flower-like MoS2 spheres are successfully fabricated via a hydrothermal method followed by a heat treatment. The obtained product is composed of few-layered MoS2 nanosheets with enlarged interlayer distance (ca. 0.66 nm) of the (002) plane. Meanwhile, the hydrogen storage properties of the as-prepared MoS2 ball milled with LiBH4 are systematically investigated. The results of temperature programmed desorption (TPD) and isothermal measurement suggest that the LiBH4-MoS2 (as-prepared) mixture exhibits favorable dehydrogenation properties in both lowering the hydrogen release temperature and improving kinetics of hydrogen release rate. LiBH4-MoS2 (as-prepared) sample (the preparation mass ratio is 1:1) starts to release hydrogen at 171 °C, and roughly 5.6 wt% hydrogen is released within 1 h when isothermally heated to 320 °C, which presents superior dehydrogenation performance compared to that of the bulk LiBH4. The excellent dehydrogenation performance of the LiBH4-MoS2 (as-prepared) mixture may be attributed to the high active site density and enlarged interlayer distance of the MoS2 nanosheets, 3D architectures and hierarchical structures.

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

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

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

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

FLUSH: A tool for the design of slush hydrogen flow systems

NASA Technical Reports Server (NTRS)

Hardy, Terry L.

1990-01-01

As part of the National Aerospace Plane Project an analytical model was developed to perform calculations for in-line transfer of solid-liquid mixtures of hydrogen. This code, called FLUSH, calculates pressure drop and solid fraction loss for the flow of slush hydrogen through pipe systems. The model solves the steady-state, one-dimensional equation of energy to obtain slush loss estimates. A description of the code is provided as well as a guide for users of the program. Preliminary results are also presented showing the anticipated degradation of slush hydrogen solid content for various piping systems.

The Influence of Gas Composition in Dielectric Barrier Discharges on the Broadening of the Hydrogen H{alpha} Transition

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

Janus, H. W.

The distribution of hydrogen atoms responsible for emission of the Balmer H{alpha} line in the region of the dielectric barrier discharges in the helium and hydrogen as well as in the argon and hydrogen mixtures, in the direction perpendicular to the electrode surfaces, has bee determined by the optical emission spectroscopy accounting for the polarization of the emitted light. The procedure of fitting the measured line profiles accounting for the Stark effect has been used for determination of the distribution of the electric field in the discharge region.

Distillation Kinetics of Solid Mixtures of Hydrogen Peroxide and Water and the Isolation of Pure Hydrogen Peroxide in Ultrahigh Vacuum

NASA Technical Reports Server (NTRS)

Teolis, B. D.; Baragiola, R. A.

2006-01-01

We present results of the growth of thin films of crystalline H2O2 and H2O2.2H2O (dihydrate) in ultrahigh vacuum by distilling an aqueous solution of hydrogen peroxide. We traced the process using infrared reflectance spectroscopy, mass loss on a quartz crystal microbalance, and in a few cases ultraviolet-visible reflectance. We find that the different crystalline phases-water, dihydrate, and hydrogen peroxide-have very different sublimation rates, making distillation efficient to isolate the less volatile component, crystalline H2O2.

Application of a catalytic combustion sensor (Pellistor) for the monitoring of the explosiveness of a hydrogen-air mixture in the upper explosive limit range

PubMed Central

Krawczyk, M.; Namiesnik, J.

2003-01-01

A new technique is presented for continuous measurements of hydrogen contamination by air in the upper explosive limit range. It is based on the application of a catalytic combustion sensor placed in a cell through which the tested sample passes. The air content is the function of the quantity of formed heat during catalytic combustion of hydrogen inside the sensor. There is the possibility of using the method in industrial installations by using hydrogen for cooling electric current generators. PMID:18924620

Fuel cell integrated with steam reformer

DOEpatents

Beshty, Bahjat S.; Whelan, James A.

1987-01-01

A H.sub.2 -air fuel cell integrated with a steam reformer is disclosed wherein a superheated water/methanol mixture is fed to a catalytic reformer to provide a continuous supply of hydrogen to the fuel cell, the gases exhausted from the anode of the fuel cell providing the thermal energy, via combustion, for superheating the water/methanol mixture.

Heterogeneous Catalysis: Deuterium Exchange Reactions of Hydrogen and Methane

ERIC Educational Resources Information Center

Mirich, Anne; Miller, Trisha Hoette; Klotz, Elsbeth; Mattson, Bruce

2015-01-01

Two gas phase deuterium/hydrogen exchange reactions are described utilizing a simple inexpensive glass catalyst tube containing 0.5% Pd on alumina through which gas mixtures can be passed and products collected for analysis. The first of these exchange reactions involves H[subscript 2] + D[subscript 2], which proceeds at temperatures as low as 77…

Retrospective Study of Selected DoD Materials and Structures Research and Development Programs. Phase 1. Case History Data Collection

DTIC Science & Technology

1979-03-01

made in continuous form by reducing boron trichloride with hydrogen and depositing the elemental boron formed on an electrically heated, continuously...filament take-up unit. A stoichio- metric mixture of boron trichloride and hydrogen is introduced at the top of the reactor. These react at the surface of...fibers are tungsten wire, boron trichloride , and hydrogen gas. The fine diameter tungsten wire on which boron is deposited is an imported product and is

Oxidation of hydrogen halides to elemental halogens with catalytic molten salt mixtures

DOEpatents

Rohrmann, Charles A.

1978-01-01

A process for oxidizing hydrogen halides by means of a catalytically active molten salt is disclosed. The subject hydrogen halide is contacted with a molten salt containing an oxygen compound of vanadium and alkali metal sulfates and pyrosulfates to produce an effluent gas stream rich in the elemental halogen. The reduced vanadium which remains after this contacting is regenerated to the active higher valence state by contacting the spent molten salt with a stream of oxygen-bearing gas.

United States Air Force Summer Research Program 1991. Graduate Student Research Program (GSRP) Reports. Volume 7. Phillips Laboratory, Civil Engineering Laboratory

DTIC Science & Technology

1992-01-09

community and should form an impetus for future work in this rapidly developing field. SUMMARY A powerful experimental technique, that of X-ray...appropriate solar radiation absorption properties must be mixed with the hydrogen. Studies have been made which show the alkali metals to be powerful ...deposition of carbon. The treated substrates were placed in a tube furnace through which an acetylene-hydrogen or propane-hydrogen mixture flowed

Development of a low pressure microwave excited plasma and its application to the formation of microcrystalline silicon films

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

Kikukawa, Daisuke; Hori, Masaru; Honma, Koichiro

2006-11-15

Microwave excited plasma source operating at a low pressure of 1.5 Pa was newly developed. This plasma source was successfully applied to the formation of hydrogenated microcrystalline silicon films in a glass substrate with a mixture gas of silane (SiH{sub 4}), hydrogen (H{sub 2}), and xenon (Xe). It was found that the crystallinity of films was dramatically improved with decreasing pressure. The crystalline fraction was evaluated to be 82% at a substrate temperature of 400 deg. C, a mixture gas of SiH{sub 4}/H{sub 2}/Xe: 5/200/30 SCCM, and a total pressure of 1.5 Pa by Raman spectroscopy. The absolute density ofmore » hydrogen atoms and the behavior of higher radicals and molecules in the mixture gas were evaluated using vacuum ultraviolet absorption spectroscopy and quadrupole mass spectrometer, respectively. H atom densities were of the order of 10{sup 11} cm{sup -3}. The fraction of H atom density increased, while higher radicals and molecules decreased with decrease in the total pressure. The increase in H atom density and decrease in higher radicals and molecules improved the crystallinity of films in low pressures below 10 Pa.« less

Interactions of ionic liquids and acetone: thermodynamic properties, quantum-chemical calculations, and NMR analysis.

PubMed

Ruiz, Elia; Ferro, Victor R; Palomar, Jose; Ortega, Juan; Rodriguez, Juan Jose

2013-06-20

The interactions between ionic liquids (ILs) and acetone have been studied to obtain a further understanding of the behavior of their mixtures, which generally give place to an exothermic process, mutual miscibility, and negative deviation of Raoult's law. COSMO-RS was used as a suitable computational method to systematically analyze the excess enthalpy of IL-acetone systems (>300), in terms of the intermolecular interactions contributing to the mixture behavior. Spectroscopic and COSMO-RS results indicated that acetone, as a polar compound with strong hydrogen bond acceptor character, in most cases, establishes favorable hydrogen bonding with ILs. This interaction is strengthened by the presence of an acidic cation and an anion with dispersed charge and non-HB acceptor character in the IL. COSMO-RS predictions indicated that gas-liquid and vapor-liquid equilibrium data for IL-acetone systems can be finely tuned by the IL selection, that is, acting on the intermolecular interactions between the molecular and ionic species in the liquid phase. NMR measurements for IL-acetone mixtures at different concentrations were also carried out. Quantum-chemical calculations by using molecular clusters of acetone and IL species were finally performed. These results provided additional evidence of the main role played by hydrogen bonding in the behavior of systems containing ILs and HB acceptor compounds, such as acetone.

Process of making carbon-carbon composites

NASA Technical Reports Server (NTRS)

Kowbel, Witold (Inventor); Withers, James C. (Inventor); Bruce, Calvin (Inventor); Vaidyanathan, Ranji (Inventor); Loutfy, Raouf O. (Inventor)

2000-01-01

A carbon composite structure, for example, an automotive engine piston, is made by preparing a matrix including of a mixture of non crystalline carbon particulate soluble in an organic solvent and a binder that has a liquid phase. The non crystalline particulate also contains residual carbon hydrogen bonding. An uncured structure is formed by combining the matrix mixture, for example, carbon fibers such as graphite dispersed in the mixture and/or graphite cloth imbedded in the mixture. The uncured structure is cured by pyrolyzing it in an inert atmosphere such as argon. Advantageously, the graphite reinforcement material is whiskered prior to combining it with the matrix mixture by a novel method involving passing a gaseous metal suboxide over the graphite surface.

Hydrogen storage materials and method of making by dry homogenation

DOEpatents

Jensen, Craig M.; Zidan, Ragaiy A.

2002-01-01

Dry homogenized metal hydrides, in particular aluminum hydride compounds, as a material for reversible hydrogen storage is provided. The reversible hydrogen storage material comprises a dry homogenized material having transition metal catalytic sites on a metal aluminum hydride compound, or mixtures of metal aluminum hydride compounds. A method of making such reversible hydrogen storage materials by dry doping is also provided and comprises the steps of dry homogenizing metal hydrides by mechanical mixing, such as be crushing or ball milling a powder, of a metal aluminum hydride with a transition metal catalyst. In another aspect of the invention, a method of powering a vehicle apparatus with the reversible hydrogen storage material is provided.

Titan's atmospheric chemistry: Photolysis of gas mixtures containing hydrogen cyanide and carbon monoxide at 185 and 254 nm

NASA Astrophysics Data System (ADS)

Tran, Buu N.; Force, Michael; Briggs, Robert G.; Ferris, James P.; Persans, Peter; Chera, John J.

2008-01-01

The formation of organic compounds in the atmosphere of Titan is an ongoing process of the generation of complex organics from the simplest hydrocarbon, methane. Solar radiation and magnetosphere electrons are the main energy sources that drive the reactions in Titan's atmosphere. Since energy from solar radiation is 200 times greater than that from magnetosphere electrons, we have investigated the products formed by the action of UV radiation (185 and 254 nm) on a mixture of gases containing nitrogen, methane, hydrogen, acetylene, ethylene, and cyanoacetylene, the basic gas mixture (BGM) that simulates aspects of Titan's atmosphere using a flow reactor [Tran, B.N., Ferris, J.P., Chera, J.J., 2003a. Icarus 162, 114-124; Tran, B.N., Joseph, J.C., Force, M., Briggs, R.G., Vuitton, V., Ferris, J.P., 2005. Icarus 177, 106-115]. The present research extends these studies by the addition of carbon monoxide and hydrogen cyanide to the BGM. Quantum yields for the loss of reactants and the formation of volatile products were determined and compared with those measured in the absence of the hydrogen cyanide and carbon monoxide. The GCMS analyses of the volatile photolysis products from the BGM, with added hydrogen cyanide, had a composition similar to that of the BGM while the photolysis products of the BGM with added carbon monoxide contained many oxygenated compounds. The infrared spectrum of the corresponding solid product revealed the absorption band of a ketone group, which was probably formed from the reaction of carbon monoxide with the free radicals generated by photolysis of acetylene and ethylene. Of particular interest was the observation that the addition of HCN to the gas mixture only resulted in a very small change in the C/N ratio and in the intensity of the C tbnd N frequency at 2210 cm -1 in the infrared spectrum suggesting that little HCN is incorporated into the haze analog. The C/N ratio of the haze analogs was found to be in the 10-12 range. The UV spectra of the solid products formed when HCN or CO added to the BGM is similar to the UV absorption formed from the BGM alone. This result is consistent with absence of additional UV chromophores to the solid product when these mixtures are photolyzed. The following photoproducts, which were not starting materials in our photochemical studies, have been observed on Titan: acetonitrile, benzene, diacetylene, ethane, propene, propane, and propyne.

Molecular and ionic diffusion in aqueous - deep eutectic solvent mixtures: probing inter-molecular interactions using PFG NMR.

PubMed

D'Agostino, Carmine; Gladden, Lynn F; Mantle, Mick D; Abbott, Andrew P; Ahmed, Essa I; Al-Murshedi, Azhar Y M; Harris, Robert C

2015-06-21

Pulsed field gradient (PFG) NMR has been used to probe self-diffusion of molecular and ionic species in aqueous mixtures of choline chloride (ChCl) based deep eutectic solvents (DESs), in order to elucidate the effect of water on motion and inter-molecular interactions between the different species in the mixtures, namely the Ch(+) cation and hydrogen bond donor (HBD). The results reveal an interesting and complex behaviour of such mixtures at a molecular level. In general, it is observed that the hydroxyl protons ((1)H) of Ch(+) and the hydrogen bond donor have diffusion coefficients significantly different from those measured for their parent molecules when water is added. This indicates a clear and significant change in inter-molecular interactions. In aqueous Ethaline, the hydroxyl species of Ch(+) and HBD show a stronger interaction with water as water is added to the system. In the case of Glyceline, water has little effect on both hydroxyl proton diffusion of Ch(+) and HBD. In Reline, it is likely that water allows the formation of small amounts of ammonium hydroxide. The most surprising observation is from the self-diffusion of water, which is considerably higher that expected from a homogeneous liquid. This leads to the conclusion that Reline and Glyceline form mixtures that are inhomogeneous at a microscopic level despite the hydrophilicity of the salt and HBD. This work shows that PFG NMR is a powerful tool to elucidate both molecular dynamics and inter-molecular interactions in complex liquid mixtures, such as the aqueous DES mixtures.

Ethylene hydrogenation catalysis on Pt(111) single-crystal surfaces studied by using mass spectrometry and in situ infrared absorption spectroscopy

NASA Astrophysics Data System (ADS)

Tillekaratne, Aashani; Simonovis, Juan Pablo; Zaera, Francisco

2016-10-01

The catalytic hydrogenation of ethylene promoted by a Pt(111) single crystal was studied by using a ultrahigh-vacuum surface-science instrument equipped with a so-called high-pressure cell. Kinetic data were acquired continuously during the catalytic conversion of atmospheric-pressure mixtures of ethylene and hydrogen by using mass spectrometry while simultaneously characterizing the surface species in operando mode by reflection-absorption infrared spectroscopy (RAIRS). Many observations reported in previous studies of this system were corroborated, including the presence of adsorbed alkylidyne intermediates during the reaction and the zero-order dependence of the rate of hydrogenation on the pressure of ethylene. In addition, the high quality of the kinetic data, which could be recorded continuously versus time and processed to calculate time-dependent turnover frequencies (TOFs), afforded a more detailed analysis of the mechanism. Specifically, deuterium labeling could be used to estimate the extent of isotope scrambling reached with mixed-isotope-substituted reactants (C2H4 + D2 and C2D4 + H2). Perhaps the most important new observation from this work is that, although extensive H-D exchange takes place on ethylene before being fully converted to ethane, the average stoichiometry of the final product retains the expected stoichiometry of the gas mixture, that is, four regular hydrogen atoms and two deuteriums per ethane molecule in the case of the experiments with C2H4 + D2. This means that no hydrogen atoms are removed from the surface via their inter-recombination to produce X2 (X = H or D). It is concluded that, under catalytic conditions, hydrogen surface recombination is much slower than ethylene hydrogenation and H-D exchange.

An Experimental Study of Unconfined Hydrogen/Oxygen and Hydrogen/Air Explosions

NASA Technical Reports Server (NTRS)

Richardson, Erin; Skinner, Troy; Blackwood, James; Hays, Michael; Bangham, Mike; Jackson, Austin

2014-01-01

Development tests are being conducted to characterize unconfined Hydrogen/air and Hydrogen/Oxygen blast characteristics. Most of the existing experiments for these types of explosions address contained explosions, like shock tubes. Therefore, the Hydrogen Unconfined Combustion Test Apparatus (HUCTA) has been developed as a gaseous combustion test device for determining the relationship between overpressure, impulse, and flame speed at various mixture ratios for unconfined reactions of hydrogen/oxygen and hydrogen/air. The system consists of a central platform plumbed to inject and mix component gasses into an attached translucent bag or balloon while monitoring hydrogen concentration. All tests are ignited with a spark with plans to introduce higher energy ignition sources in the future. Surrounding the platform are 9 blast pressure "Pencil" probes. Two high-speed cameras are used to observe flame speed within the combustion zone. The entire system is raised approx. 6 feet off the ground to remove any ground reflection from the measurements. As of this writing greater than 175 tests have been performed and include Design of Experiments test sets. Many of these early tests have used bags or balloons between approx. 340L and approx. 1850L to quantify the effect of gaseous mixture ratio on the properties of interest. All data acquisition is synchronized between the high-speed cameras, the probes, and the ignition system to observe flame and shock propagation. Successful attempts have been made to couple the pressure profile with the progress of the flame front within the combustion zone by placing a probe within the bag. Overpressure and impulse data obtained from these tests are used to anchor engineering analysis tools, CFD models and in the development of blast and fragment acceleration models.

Plasma promoted manufacturing of hydrogen and vehicular applications

NASA Astrophysics Data System (ADS)

Bromberg, Leslie

2003-10-01

Plasmas can be used for promoting reformation of fuels. Plasma-based reformers developed at MIT use a low temperature, low power, low current electrical discharge to promote partial oxidation conversion of hydrocarbon fuels into hydrogen and CO. The very fuel rich mixture is hard to ignite, and the plasmatron provides a volume-ignition. To minimize erosion and to simplify the power supply, a low current high voltage discharge is used, with wide area electrodes. The plasmatron fuel reformer operates at or slightly above atmospheric pressure. The plasma-based reformer technology provides the advantages of rapid startup and transient response; efficient conversion of the fuel to hydrogen rich gas; compact size; relaxation or elimination of reformer catalyst requirements; and capability to process difficult to reform fuels. These advantages enable use of hydrogen-manufacturing reformation technology in cars using available fuels, such as gasoline and diesel. This plasma-based reformer technology can provide substantial throughputs even without the use of a catalyst. The electrical power consumption of the device is minimized by design and operational characteristics (less than 500 W peak and 200 W average). The product from these plasma reactors is a hydrogen rich mixture that can be used for combustion enhancement and emissions aftertreatment in vehicular applications. By converting a small fraction of the fuel to hydrogen rich gas, in-cylinder combustion can be improved. With minor modification of the engine, use of hydrogen rich gas results in increased fuel efficiency and decreased emissions of smog producing gases. The status of plasma based reformer technology and its application to vehicles will be described.

Metal membrane-type 25-kW methanol fuel processor for fuel-cell hybrid vehicle

NASA Astrophysics Data System (ADS)

Han, Jaesung; Lee, Seok-Min; Chang, Hyuksang

A 25-kW on-board methanol fuel processor has been developed. It consists of a methanol steam reformer, which converts methanol to hydrogen-rich gas mixture, and two metal membrane modules, which clean-up the gas mixture to high-purity hydrogen. It produces hydrogen at rates up to 25 N m 3/h and the purity of the product hydrogen is over 99.9995% with a CO content of less than 1 ppm. In this fuel processor, the operating condition of the reformer and the metal membrane modules is nearly the same, so that operation is simple and the overall system construction is compact by eliminating the extensive temperature control of the intermediate gas streams. The recovery of hydrogen in the metal membrane units is maintained at 70-75% by the control of the pressure in the system, and the remaining 25-30% hydrogen is recycled to a catalytic combustion zone to supply heat for the methanol steam-reforming reaction. The thermal efficiency of the fuel processor is about 75% and the inlet air pressure is as low as 4 psi. The fuel processor is currently being integrated with 25-kW polymer electrolyte membrane fuel-cell (PEMFC) stack developed by the Hyundai Motor Company. The stack exhibits the same performance as those with pure hydrogen, which proves that the maximum power output as well as the minimum stack degradation is possible with this fuel processor. This fuel-cell 'engine' is to be installed in a hybrid passenger vehicle for road testing.

Operating characteristics of a hydrogen-argon plasma torch for supersonic combustion applications

NASA Technical Reports Server (NTRS)

Barbi, E.; Mahan, J. R.; O'Brien, W. F.; Wagner, T. C.

1989-01-01

The residence time of the combustible mixture in the combustion chamber of a scramjet engine is much less than the time normally required for complete combustion. Hydrogen and hydrocarbon fuels require an ignition source under conditions typically found in a scramjet combustor. Analytical studies indicate that the presence of hydrogen atoms should greatly reduce the ignition delay in this environment. Because hydrogen plasmas are prolific sources of hydrogen atoms, a low-power, uncooled hydrogen plasma torch has been built and tested to evaluate its potential as a possible flame holder for supersonic combustion. The torch was found to be unstable when operated on pure hydrogen; however, stable operation could be obtained by using argon as a body gas and mixing in the desired amount of hydrogen. The stability limits of the torch are delineated and its electrical and thermal behavior documented. An average torch thermal efficiency of around 88 percent is demonstrated.

Hydrogenation of coal liquid utilizing a metal carbonyl catalyst

DOEpatents

Feder, Harold M.; Rathke, Jerome W.

1979-01-01

Coal liquid having a dissolved transition metal, catalyst as a carbonyl complex such as Co.sub.2 (CO.sub.8) is hydrogenated with hydrogen gas or a hydrogen donor. A dissociating solvent contacts the coal liquid during hydrogenation to form an immiscible liquid mixture at a high carbon monoxide pressure. The dissociating solvent, e.g. ethylene glycol, is of moderate coordinating ability, while sufficiently polar to solvate the transition metal as a complex cation along with a transition metal, carbonyl anion in solution at a decreased carbon monoxide pressure. The carbon monoxide pressure is reduced and the liquids are separated to recover the hydrogenated coal liquid as product. The dissociating solvent with the catalyst in ionized form is recycled to the hydrogenation step at the elevated carbon monoxide pressure for reforming the catalyst complex within fresh coal liquid.

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

DOE PAGES

Robinson, David B.; Luo, Weifang; Cai, Trevor Y.; ...

2015-09-26

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

Hazards Induced by Breach of Liquid Rocket Fuel Tanks: Conditions and Risks of Cryogenic Liquid Hydrogen-Oxygen Mixture Explosions

NASA Technical Reports Server (NTRS)

Osipov, Viatcheslav; Muratov, Cyrill; Hafiychuk, Halyna; Ponizovskya-Devine, Ekaterina; Smelyanskiy, Vadim; Mathias, Donovan; Lawrence, Scott; Werkheiser, Mary

2011-01-01

We analyze the data of purposeful rupture experiments with LOx and LH2 tanks, the Hydrogen-Oxygen Vertical Impact (HOVI) tests that were performed to clarify the ignition mechanisms, the explosive power of cryogenic H2/Ox mixtures under different conditions, and to elucidate the puzzling source of the initial formation of flames near the intertank section during the Challenger disaster. We carry out a physics-based analysis of general explosions scenarios for cryogenic gaseous H2/Ox mixtures and determine their realizability conditions, using the well-established simplified models from the detonation and deflagration theory. We study the features of aerosol H2/Ox mixture combustion and show, in particular, that aerosols intensify the deflagration flames and can induce detonation for any ignition mechanism. We propose a cavitation-induced mechanism of self-ignition of cryogenic H2/Ox mixtures that may be realized when gaseous H2 and Ox flows are mixed with a liquid Ox turbulent stream, as occurred in all HOVI tests. We present an overview of the HOVI tests to make conclusion on the risk of strong explosions in possible liquid rocket incidents and provide a semi-quantitative interpretation of the HOVI data based on aerosol combustion. We uncover the most dangerous situations and discuss the foreseeable risks which can arise in space missions and lead to tragic outcomes. Our analysis relates to only unconfined mixtures that are likely to arise as a result of liquid propellant space vehicle incidents.

The Physical Properties of a Lavage Mixture of Pulmonary Surfactant, Perfluorodecaline, and Methylprednisolone (Perfactant Lavage)

DTIC Science & Technology

2014-05-09

release: distribution unlimited Purpose: To characterize the physical properties of a lavage mixture of pulmonary surfactant, perfluorocarbon and...methylprednisolone. Background: Perfluorocarbons (PFCs) are compounds derived from hydrocarbons by the substitution of hydrogen atoms with fluorine...atoms. Perfluorocarbon liquids are colorless, odorless and biologically inert. They are highly dense, due to their molecular weight. Their low

Molybdenum enhanced low-temperature deposition of crystalline silicon nitride

DOEpatents

Lowden, Richard A.

1994-01-01

A process for chemical vapor deposition of crystalline silicon nitride which comprises the steps of: introducing a mixture of a silicon source, a molybdenum source, a nitrogen source, and a hydrogen source into a vessel containing a suitable substrate; and thermally decomposing the mixture to deposit onto the substrate a coating comprising crystalline silicon nitride containing a dispersion of molybdenum silicide.

Tables and charts of equilibrium normal shock and shock-tube solutions for helium-hydrogen mixtures with velocities to 70 km/sec

NASA Technical Reports Server (NTRS)

Miller, C. G., III; Wilder, S. E.

1974-01-01

Equilibrium thermodynamic and flow properties are presented in tabulated and graphical form for moving, standing, and reflected normal shock waves into helium-hydrogen mixtures representative of proposed outer planet atmospheres. The volumetric compositions of these mixtures are 0.35He-0.65H2, 0.20He-0.80H2, and 0.05He-0.95H2. Properties include pressure, temperature, density, enthalpy, speed of sound, entropy, molecular-weight ratio, isentropic exponent, velocity, and species mole fractions. Incident (moving) shock velocities are varied from 4 to 70 km/sec for a range of initial pressure of 5 N/sq m to 100 kN/sq m. The present results are applicable to shock-tube flows and to free-flight conditions for a blunt body at high velocities. A working chart illustrating idealized shock-tube performance with a 0.20He-0.80H2 test gas and heated helium driver gas is also presented.

Molecular dynamics simulations of a DMSO/water mixture using the AMBER force field.

PubMed

Stachura, Slawomir S; Malajczuk, Chris J; Mancera, Ricardo L

2018-06-25

Due to its protective properties of biological samples at low temperatures and under desiccation, dimethyl sulfoxide (DMSO) in aqueous solutions has been studied widely by many experimental approaches and molecular dynamics (MD) simulations. In the case of the latter, AMBER is among the most commonly used force fields for simulations of biomolecular systems; however, the parameters for DMSO published by Fox and Kollman in 1998 have only been tested for pure liquid DMSO. We have conducted an MD simulation study of DMSO in a water mixture and computed several structural and dynamical properties such as of the mean density, self-diffusion coefficient, hydrogen bonding and DMSO and water ordering. The AMBER force field of DMSO is seen to reproduce well most of the experimental properties of DMSO in water, with the mixture displaying strong and specific water ordering, as observed in experiments and multiple other MD simulations with other non-polarizable force fields. Graphical abstract Hydration structure within hydrogen-bonding distance around a DMSOmolecule.

Synergistic behavior of glycine betaine-urea mixture: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Kumar, Narendra; Kishore, Nand

2013-09-01

Glycine betaine (GB) is one of the most important osmolyte which is known to stabilize proteins as well as counteract the denaturing effect of urea. There have been many studies indicating protein stabilization and counteraction of the effect of urea by GB. However, the exact mechanism of counteraction is still debated and is of important research interest. In this study, distribution functions, hydrogen bonds, and energetics were analysed to understand different interactions between GB and urea, and their solvation properties in presence of each other. The results show that in the GB-urea mixture, GB acted as a stronger osmolyte and urea became a weaker denaturing agent than its individual counterparts. The increase in the solvation of urea and GB in GB-urea mixture and their mutual interactions through hydrogen bonding and coulombic energy resulted in more involvement of GB and urea with solvent as well as with themselves. This might result in the increase of the exclusion of GB from protein surface and decrease in the protein-urea interactions in the mixture. This synergistic behavior might be the prime reason for the counteraction of denaturing effect of urea by GB.

A multiscale quasi-continuum theory to determine thermodynamic properties of fluid mixtures in nanochannels

NASA Astrophysics Data System (ADS)

Motevaselian, Mohammad Hossein; Mashayak, Sikandar Y.; Aluru, Narayana R.

2015-11-01

We present an empirical potential-based quasi-continuum theory (EQT) that seamlessly integrates the interatomic potentials into a continuum framework such as the Nernst-Planck equation. EQT is a simple and fast approach, which provides accurate predictions of potential of mean force (PMF) and density distribution of confined fluids at multiple length-scales, ranging from few Angstroms to macro meters. The EQT potentials can be used to construct the excess free energy functional in the classical density functional theory (cDFT). The combination of EQT and cDFT (EQT-cDFT), allows one to predict the thermodynamic properties of confined fluids. Recently, the EQT-cDFT framework was developed for single component LJ fluids confined in slit-like graphene channels. In this work, we extend the framework to confined LJ fluid mixtures and demonstrate it by simulating a mixture of methane and hydrogen molecules inside slit-like graphene channels. We show that the EQT-cDFT predictions for the structure of the confined fluid mixture compare well with the MD simulations. In addition, our results show that graphene nanochannels exhibit a selective adsorption of methane over hydrogen.

Sulphate removal from sodium sulphate-rich brine and recovery of barium as a barium salt mixture.

PubMed

Vadapalli, Viswanath R K; Zvimba, John N; Mulopo, Jean; Motaung, Solly

2013-01-01

Sulphate removal from sodium sulphate-rich brine using barium hydroxide and recovery of the barium salts has been investigated. The sodium sulphate-rich brine treated with different dosages of barium hydroxide to precipitate barium sulphate showed sulphate removal from 13.5 g/L to less than 400 mg/L over 60 min using a barium to sulphate molar ratio of 1.1. The thermal conversion of precipitated barium sulphate to barium sulphide achieved a conversion yield of 85% using coal as both a reducing agent and an energy source. The recovery of a pure mixture of barium salts from barium sulphide, which involved dissolution of barium sulphide and reaction with ammonium hydroxide resulted in recovery of a mixture of barium carbonate (62%) and barium hydroxide (38%), which is a critical input raw material for barium salts based acid mine drainage (AMD) desalination technologies. Under alkaline conditions of this barium salt mixture recovery process, ammonia gas is given off, while hydrogen sulfide is retained in solution as bisulfide species, and this provides basis for ammonium hydroxide separation and recovery for reuse, with hydrogen sulfide also recoverable for further industrial applications such as sulfur production by subsequent stripping.

Chemical kinetic analysis of hydrogen-air ignition and reaction times

NASA Technical Reports Server (NTRS)

Rogers, R. C.; Schexnayder, C. J., Jr.

1981-01-01

An anaytical study of hydrogen air kinetics was performed. Calculations were made over a range of pressure from 0.2 to 4.0 atm, temperatures from 850 to 2000 K, and mixture equivalence ratios from 0.2 to 2.0. The finite rate chemistry model included 60 reactions in 20 species of the H2-O2-N2 system. The calculations also included an assessment of how small amounts of the chemicals H2O, NOx, H2O2, and O3 in the initial mixture affect ignition and reaction times, and how the variation of the third body efficiency of H2O relative of N2 in certain key reactions may affect reaction time. The results indicate that for mixture equivalence ratios between 0.5 and 1.7, ignition times are nearly constant; however, the presence of H2O and NO can have significant effects on ignition times, depending on the mixture temperature. Reaction time is dominantly influenced by pressure but is nearly independent of initial temperature, equivalence ratio, and the addition of chemicals. Effects of kinetics on reaction at supersonic combustor conditions are discussed.

Reactivity of metal oxide sorbents for removal of sulfur compounds from coal gases at high temperature and pressure

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

Kwon, K.C.; Crowe, E.R.; Gangwal, S.K.

1997-01-01

Hot-gas desulfurization for the integrated gasification combined cycle (IGCC) process has been investigated to effectively remove hydrogen sulfide with various metal oxide sorbents at high temperatures and pressures. Metal oxide sorbents such as zinc titanate oxide, zinc ferrite oxide, copper oxide, manganese oxide and calcium oxide were found to be promising sorbents in comparison with other removal methods such as membrane separation and reactive membrane separation. The removal reaction of H{sub 2}S from coal gas mixtures with zinc titanate oxide sorbents was conducted in a batch reactor. The main objectives of this research are to formulate promising metal oxide sorbentsmore » for removal of hydrogen sulfide from coal gas mixtures, to compare reactivity of a formulated sorbent with a sorbent supplied by the Research Triangle Institute at high temperatures and pressures, and to determine effects of concentrations of moisture contained in coal gas mixtures on equilibrium absorption of H{sub 2}S into metal oxide sorbents. Promising durable metal oxide sorbents with high-sulfur-absorbing capacity were formulated by mixing active metal oxide powders with inert metal oxide powders and calcining these powder mixtures.« less

Mixed refrigerant cycle with neon, hydrogen, and helium for cooling sc power transmission lines

NASA Astrophysics Data System (ADS)

Kloeppel, S.; Dittmar, N.; Haberstroh, Ch; Quack, H.

2017-02-01

The use of superconductors in very long power transmission lines requires a reliable and effective cooling. Since the use of cryocoolers does not appear feasible for very long distances, a cryogenic refrigeration cycle needs to be developed. For cooling superconducting cables based on MgB2 (T c = 39 K), liquid hydrogen (LH2) is the obvious cooling agent. For recooling LH2, one would need a refrigeration cycle providing temperatures at around 20 K. For this purpose, one could propose the use of a helium refrigeration cycle. But the very low molecular weight of helium restricts the use of turbo compressors, which limits the overall efficiency. In order to increase the molecular weight of the refrigerant a mixture of cryogens could be used, allowing the use of a turbo compressor. Temperatures below the triple point of neon are achieved by phase separation. This paper presents a possible layout of a refrigeration cycle utilizing a three component mixture of neon, hydrogen, and helium.

In-line calibration of Raman systems for analysis of gas mixtures of hydrogen isotopologues with sub-percent accuracy.

PubMed

Schlösser, Magnus; Seitz, Hendrik; Rupp, Simone; Herwig, Philipp; Alecu, Catalin Gabriel; Sturm, Michael; Bornschein, Beate

2013-03-05

Highly accurate, in-line, and real-time composition measurements of gases are mandatory in many processing applications. The quantitative analysis of mixtures of hydrogen isotopologues (H2, D2, T2, HD, HT, and DT) is of high importance in such fields as DT fusion, neutrino mass measurements using tritium β-decay or photonuclear experiments where HD targets are used. Raman spectroscopy is a favorable method for these tasks. In this publication we present a method for the in-line calibration of Raman systems for the nonradioactive hydrogen isotopologues. It is based on precise volumetric gas mixing of the homonuclear species H2/D2 and a controlled catalytic production of the heteronuclear species HD. Systematic effects like spurious exchange reactions with wall materials and others are considered with care during the procedure. A detailed discussion of statistical and systematic uncertainties is presented which finally yields a calibration accuracy of better than 0.4%.

Research on Crack-Filling Heat Treatment and Hydrogen Permeation Test of Self-healing Tritium Permeation Barriers

NASA Astrophysics Data System (ADS)

Liu, Dawei; Wang, Yan; Zhang, Ying; Ouyang, Taoyuan; Zhou, Tong; Fang, Xuanwei; Suo, Jinping

2018-04-01

A TiC + mixture (TiC/Al2O3 (1:1 wt.%)) +Al2O3 self-healing triple layer coating (TLC) was designed and manufactured by our group, and the crack-filling heat treatment process had been roughly explored in the past. In this work, the accelerating test with a thick TiC + mixture (TiC/Al2O3 (1:1 wt.%)) double-layer coating (DLC) was carried out. The DLC coating warped when the heat treatment temperature was lower than 550 °C, which was rare in similar researches, and it crushed into fan-shaped pieces when the treatment temperature was higher than 650 °C. The two different spalling failures were explained by weight gain, porosity and stress analyses. The heating rate had a significant effect. The bonding strength and hydrogen permeation of the TLC samples were also tested. Remaining at 650 °C for 40 h was proved to be an optimal crack-filling heat treatment process, considering the hydrogen resistance.

Effects of Ti-Based Additives on the Hydrogen Storage Properties of a L i B H 4 / C a H 2 Destabilized System

DOE PAGES

Yang, Hongwei; Ibikunle, Adeola; Goudy, Andrew J.

2010-01-01

Tmore » he hydrogen storage properties of a destabilized LiBH 4 / CaH 2 system ball-milled with iCl 3 , iF 3 , and iO 2 additives have been investigated. It is found that the system with iCl 3 additive has a lower dehydrogenation temperature than the ones with other additives. Further study shows that a higher amount of iCl 3 is more effective in reducing the desorption temperature of the LiBH 4 / CaH 2 system, since it leads to a lower activation energy of dehydrogenation. he activations energies for mixtures containing 4, 10, and 25 mol% of iCl 3 are 141, 126, and 110 kJ/mol, respectively. However, the benefits of higher amounts of iCl 3 are offset by a larger reduction in hydrogen capacity of the mixtures.« less

Evaluation of industrially applied heat-transfer fluids as liquid organic hydrogen carrier systems.

PubMed

Brückner, Nicole; Obesser, Katharina; Bösmann, Andreas; Teichmann, Daniel; Arlt, Wolfgang; Dungs, Jennifer; Wasserscheid, Peter

2014-01-01

Liquid organic hydrogen carrier (LOHC) systems offer a very attractive method for the decentralized storage of renewable excess energy. In this contribution, industrially well-established heat-transfer oils (typically sold under trade names, e.g., Marlotherm) are proposed as a new class of LOHC systems. It is demonstrated that the liquid mixture of isomeric dibenzyltoluenes (m.p. -39 to -34 °C, b.p. 390 °C) can be readily hydrogenated to the corresponding mixture of perhydrogenated analogues by binding 6.2 wt% of H2. The liquid H2 -rich form can be stored and transported similarly to diesel fuel. It readily undergoes catalytic dehydrogenation at temperatures above 260 °C, which proves its applicability as a reversible H2 carrier. The presented LOHC systems are further characterized by their excellent technical availability at comparably low prices, full registration of the H2 -lean forms, and excellent thermal stabilities. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Influence of Water Vapors and Hydrogen on the Energy Band Bending in the SnO2 Microcrystals of Polycrystalline Tin Dioxide Films

NASA Astrophysics Data System (ADS)

Gaman, V. I.; Almaev, A. V.; Sevast'yanov, E. Yu.; Maksimova, N. K.

2015-06-01

The results of studying the dependence of the energy band bending at the interface of contacting SnO2 microcrystals in the polycrystalline tin dioxide film on the humidity level of clean air and hydrogen concentration in the gas mixture of clean air + H2 are presented. The experimental results showed that the bending of energy bands in SnO2 is decreased under exposure to the water vapors and molecular hydrogen. The presence of two types of the adsorption centers for water molecules on the surface of SnO2 is found. It is shown that at the absolute humidity of the gas mixture above 12 g/m3, the H2O and H2 molecules are adsorbed on the same centers, whose surface density is of 1012 сm-2 at a concentration of donor impurity in SnO2 equal to 1018 сm-3.

Process for hydrocracking carbonaceous material in liquid carrier

DOEpatents

Duncan, Dennis A.

1980-01-01

Solid carbonaceous material is hydrocracked to provide aliphatic and aromatic hydrocarbons for use as gaseous and liquid fuels or chemical feed stock. Particulate carbonaceous material such as coal in slurry with recycled product oil is preheated in liquid state to a temperature of 600.degree.-1200.degree. F. in the presence of hydrogen gas. The product oil acts as a sorbing agent for the agglomerating bitumins to minimize caking within the process. In the hydrocracking reactor, the slurry of oil and carbonaceous particles is heated within a tubular passageway to vaporize the oil and form a gas-solid mixture which is further heated to a hydropyrolysis temperature in excess of 1200.degree. F. The gas-solid mixture is quenched by contact with additional oil to condense normally liquid hydrocarbons for separation from the gases. A fraction of the hydrocarbon liquid product is recycled for quenching and slurrying with the carbonaceous feed. Hydrogen is recovered from the gas for recycle and additional hydrogen is produced by gasification of residual char.

Catalytic membranes for CO oxidation in fuel cells

DOEpatents

Sandi-Tapia, Giselle; Carrado Gregar, Kathleen; Kizilel, Riza

2010-06-08

A hydrogen permeable membrane, which includes a polymer stable at temperatures of about 200 C having clay impregnated with Pt or Au or Ru or Pd particles or mixtures thereof with average diameters of less than about 10 nanometers (nms) is disclosed. The membranes are useful in fuel cells or any device which requires hydrogen to be separated from carbon monoxide.

Improvements upon the "Colorful Cobalt Catalysis" Demonstration and Evidence for the Presence of an Autocatalytic Mechanism

ERIC Educational Resources Information Center

Wright, Stephen W.

2010-01-01

The oxidation of potassium sodium tartrate by hydrogen peroxide catalyzed by cobalt(II) chloride is a favorite lecture demonstration. I present conditions under which this experiment may be performed without need for 30% hydrogen peroxide and without need for controlled heating or any heating of the reaction mixture. I further show that this…

In situ catalytic hydrogenation of model compounds and biomass-derived phenolic compounds for bio-oil upgrading

Treesearch

Junfeng Feng; Zhongzhi Yang; Chung-yun Hse; Qiuli Su; Kui Wang; Jianchun Jiang; Junming Xu

2017-01-01

The renewable phenolic compounds produced by directional liquefaction of biomass are a mixture of complete fragments decomposed from native lignin. These compounds are unstable and difficult to use directly as biofuel. Here, we report an efficient in situ catalytic hydrogenation method that can convert phenolic compounds into saturated cyclohexanes. The process has...

The carbon dioxide chaperon efficiency for the reaction H + O2 + M yields HO2 + M from ignition delay times behind reflected shock waves

NASA Technical Reports Server (NTRS)

Brabbs, Theodore A.; Robertson, Thomas F.

1987-01-01

Ignition delay times for stoichiometric hydrogen-oxygen in argon with and without carbon dioxide were measured behind reflected shock waves. A 20-reaction kinetic mechanism models the measured hydrogen-oxygen delay times over the temperature range 950 to 1300 K. The chaperon efficiency for carbon dioxide determined for the hydrogen-oxygen carbon dioxide mixture was 7.0. This value is in agreement with literature values but much less than a recent value obtained from flow tube experiments. Delay times measured behind a reflected shock wave were about 20% longer than those measured behind incident shock waves. The kinetic mechanism successfully modeled the high-pressure data of Skinner and the hydrogen-air data of Stack. It is suggested that the lowest temperature points for the hydrogen-air data of Slack are unreliable and that the 0.27-atm data may illustrate a case where vibrational relaxation of nitrogen is important. The reaction pathway HO2 yields H2O2 yields OH yields H was required to model the high-pressure data of Skinner. The successful modeling of the stoichiometric hydrogen-air data demonstrates the appropriateness of deriving kinetic models from data for gas mixtures highly diluted with argon. The technique of reducing a detailed kinetic mechanism to only the important reactions for a limited range of experimental data may render the mechanism useless for other test conditions.

Catalytic hydrogenation of polyaromatic hydrocarbon (PAH) compounds in supercritical carbon dioxide over supported palladium.

PubMed

Yuan, Tao; Marshall, William D

2007-12-01

A series of supported palladium catalysts were evaluated for their ability to mediate the complete hydrogenation of polycyclic aromatic hydrocarbon (PAH) compounds. Benzo[a]pyrene (B[a]P) or phenanthrene (Phe) in hexane was merged with a hydrogen-carbon dioxide [5% (w/w) H(2)/CO(2)] stream and transferred to a flow through mini-reactor (capacity ca. 1 g) that was maintained at 90 degrees C under a back-pressure of 20.68 MPa. Effluent from the reactor trapped in hexane was monitored/quantified by gas chromatography-mass spectrometry. Catalyst formulations supported on iron powder, high density polyethylene (HDPE) or gamma-alumina were prepared and compared in terms of hydrogenation activity as measured by the quantity of substrate per unit time that could be perhydrogenated to toxicologically innocuous products. Both of the Pd preparations supported on gamma-alumina were more efficient than a commercial Pd(0) (5% w/w) on gamma-Al(2)O(3) formulation or preparations supported on HDPE or the iron powder. Bimetallic mixtures with Pd increased the hydrogenation activity when co-deposited with Cu or Ni but not with Ag or Co. However, increases in hydrogenation activity by increasing the loading of Pd (or bimetallic mixture) on this surface were limited. Despite using supercritical carbon dioxide (scCO(2)) to swell the surfaces of the polymer, the deposition of nanoparticles within the polyethylene formulation was appreciably less active than either the oxidic or the Fe(0) formulations.

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

NASA Astrophysics Data System (ADS)

Sari, Ataallah; Sabziani, Javad

2017-06-01

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

Effect of pressure on high Karlovitz number lean turbulent premixed hydrogen-enriched methane-air flames using LES

NASA Astrophysics Data System (ADS)

Cicoria, David; Chan, C. K.

2017-07-01

Large eddy simulation (LES) is employed to investigate the effect of pressure on lean CH4-H2-air turbulent premixed flames at high Karlovitz number for mixtures up to 60% of hydrogen in volume. The subfilter combustion term representing the interaction between turbulence and chemistry is modelled using the PaSR model, along with complex chemistry using a skeletal mechanism based on GRI-MECH3.0. The influence of pressure at high turbulence levels is studied by means of the local flame structure, and the assessment of species formation inside the flame. Results show that the ratio of turbulent flame thickness to laminar flame thickness δt/δu increases faster with pressure, and increases with the fraction of hydrogen in the mixture, leading to higher ratio of turbulent to laminar flame speed. The flame displays smaller structures and higher degree of wrinkling at higher pressure. Final species of CO2 and H2O formation is almost independent of pressure. For intermediate species CO and OH, an increase in pressure at constant volume fraction of hydrogen β leads to a decrease of emission of these species.

Hydrogen production by reforming of liquid hydrocarbons in a membrane reactor for portable power generation-Experimental studies

NASA Astrophysics Data System (ADS)

Damle, Ashok S.

One of the most promising technologies for lightweight, compact, portable power generation is proton exchange membrane (PEM) fuel cells. PEM fuel cells, however, require a source of pure hydrogen. Steam reforming of hydrocarbons in an integrated membrane reactor has potential to provide pure hydrogen in a compact system. Continuous separation of product hydrogen from the reforming gas mixture is expected to increase the yield of hydrogen significantly as predicted by model simulations. In the laboratory-scale experimental studies reported here steam reforming of liquid hydrocarbon fuels, butane, methanol and Clearlite ® was conducted to produce pure hydrogen in a single step membrane reformer using commercially available Pd-Ag foil membranes and reforming/WGS catalysts. All of the experimental results demonstrated increase in hydrocarbon conversion due to hydrogen separation when compared with the hydrocarbon conversion without any hydrogen separation. Increase in hydrogen recovery was also shown to result in corresponding increase in hydrocarbon conversion in these studies demonstrating the basic concept. The experiments also provided insight into the effect of individual variables such as pressure, temperature, gas space velocity, and steam to carbon ratio. Steam reforming of butane was found to be limited by reaction kinetics for the experimental conditions used: catalysts used, average gas space velocity, and the reactor characteristics of surface area to volume ratio. Steam reforming of methanol in the presence of only WGS catalyst on the other hand indicated that the membrane reactor performance was limited by membrane permeation, especially at lower temperatures and lower feed pressures due to slower reconstitution of CO and H 2 into methane thus maintaining high hydrogen partial pressures in the reacting gas mixture. The limited amount of data collected with steam reforming of Clearlite ® indicated very good match between theoretical predictions and experimental results indicating that the underlying assumption of the simple model of conversion of hydrocarbons to CO and H 2 followed by equilibrium reconstitution to methane appears to be reasonable one.

Shock tube measurements of growth constants in the branched chain formaldehyde-carbon monoxide-oxygen system

NASA Technical Reports Server (NTRS)

Brabbs, T. A.; Brokaw, R. S.

1982-01-01

Exponential free radical growth constants were measured for formaldehyde carbon monoxide-oxygen systems by monitoring the growth of oxygen atom concentration as manifested by CO flame band emission. Data were obtained over the temperature range of 1200 to 2000 K. The data were analyzed using a formaldehyde oxidation mechanism involving 12 elementary reaction steps. The computed growth constants are roughly in accord with experimental values, but are much more temperature dependent. The data was also analyzed assuming formaldehyde is rapidly decomposed to carbon monoxide and hydrogen. Growth constants computed for the resulting carbon monoxide hydrogen oxygen mixtures have a temperature dependence similar to experiments; however, for most mixtures, the computed growth constants were larger than experimental values.

Boundary-layer development and transition due to free-stream exothermic reactions in shock-induced flows

NASA Technical Reports Server (NTRS)

Hall, J. L.

1974-01-01

A study of the effect of free-stream thermal-energy release from shock-induced exothermic reactions on boundary-layer development and transition is presented. The flow model is that of a boundary layer developing behind a moving shock wave in two-dimensional unsteady flow over a shock-tube wall. Matched sets of combustible hydrogen-oxygen-nitrogen mixtures and inert hydrogen-nitrogen mixtures were used to obtain transition data over a range of transition Reynolds numbers from 1,100,000 to 21,300,000. The heat-energy is shown to significantly stabilize the boundary layer without changing its development character. A method for application of this data to flat-plate steady flows is included.

The NiCl2-Li-arene(cat.) combination: a versatile reducing mixture.

PubMed

Alonso, Francisco; Yus, Miguel

2004-06-20

The NiCl2.2H2O-Li-arene(cat.) combination described in this tutorial review has shown to be a useful and versatile mixture able to reduce a broad range of functionalities bearing carbon-carbon multiple bonds, as well as carbon-heteroatom and heteroatom-heteroatom single and multiple bonds. The analogous deuterated combination, NiCl2.2D2O-Li-arene(cat.), allows the easy incorporation of deuterium in the reaction products. Alternatively, the anhydrous NiCl2-Li-arene (or polymer-supported arene)(cat.) system generates a highly reactive metallic nickel, which in the presence of molecular hydrogen at atmospheric pressure is able to catalyze the hydrogenation of almost the same type of functionalities mentioned above.

Vibration considerations for cryogenic tanks using glass bubbles insulation

NASA Astrophysics Data System (ADS)

Werlink, Rudy John; Fesmire, James; Sass, Jared P.

2012-06-01

The use of glass bubbles as an efficient and practical thermal insulation system hasbeen previously demonstrated in cryogenic storage tanks. One such example is a spherical,vacuum-jacketed liquid hydrogen vessel of 218,000 liter capacity where the boiloff rate hasbeen reduced by approximately 50 percent. Further applications may include non-stationarytanks such as mobile tankers and tanks with extreme duty cycles or exposed to significantvibration environments. Space rocket launch events and mobile tanker life cycles representtwo harsh cases of mechanical vibration exposure. A number of bulk fill insulationmaterials including glass bubbles, perlite powders, and aerogel granules were tested forvibration effects and mechanical behavior using a custom design holding fixture subjectedto random vibration on an Electrodynamic Shaker. The settling effects for mixtures ofinsulation materials were also investigated. The vibration test results and granular particleanalysis are presented with considerations and implications for future cryogenic tankapplications.

Dielectric and Excess Properties of Glycols with Formamide Binary Mixtures at Different Temperatures

NASA Astrophysics Data System (ADS)

Navarkhele, V. V.

2018-07-01

Dielectric constant measurements of glycol-formamide binary solutions with various concentrations have been carried out at different temperatures. The dielectric measurement has been achieved at 100 MHz frequency using a sensor which is based on frequency domain reflectomery technique. The excess dielectric constant, Kirkwood correlation factor and Bruggeman factor has also been reported for the binary mixtures. The results show that the dielectric constant of the mixtures increases with increase in the volume fraction of formamide and decreases with increase in temperature. The study also confirms the presence of intermolecular interaction, hydrogen bonding and orientation of the dipoles in the binary mixtures.

Viscosity minima in binary mixtures of ionic liquids + molecular solvents.

PubMed

Tariq, M; Shimizu, K; Esperança, J M S S; Canongia Lopes, J N; Rebelo, L P N

2015-05-28

The viscosity (η) of four binary mixtures (ionic liquids plus molecular solvents, ILs+MSs) was measured in the 283.15 < T/K < 363.15 temperature range. Different IL/MS combinations were selected in such a way that the corresponding η(T) functions exhibit crossover temperatures at which both pure components present identical viscosity values. Consequently, most of the obtained mixture isotherms, η(x), exhibit clear viscosity minima in the studied T-x range. The results are interpreted using auxiliary molecular dynamics (MD) simulation data in order to correlate the observed η(T,x) trends with the interactions in each mixture, including the balance between electrostatic forces and hydrogen bonding.

The anodic surface film and hydrogen evolution on Mg

DOE PAGES

Song, Guang -Ling; Unocic, Kinga A.

2015-06-04

This paper clarifies that the inner and outer layers of the anodic film consist of a nano/micro-porous MgO+Mg(OH) 2 mixture. The film becomes thicker and more porous with increasing potential. It can rupture when potential is too positive in a non-corrosive Mg(OH) 2 solution. Hydrogen evolution becomes more intensive as polarization potential increases, particularly when the potential at the film-covered Mg surface is close to or more positive than the hydrogen equilibrium potential, suggesting that an “anodic hydrogen evolution” (AHE) reaction occurs on the substrate Mg in film pores, and the significantly intensified AHE causes film rupture at high potential.

Space station propulsion technology

NASA Technical Reports Server (NTRS)

Briley, G. L.

1986-01-01

The progress on the Space Station Propulsion Technology Program is described. The objectives are to provide a demonstration of hydrogen/oxygen propulsion technology readiness for the Initial Operating Capability (IOC) space station application, specifically gaseous hydrogen/oxygen and warm hydrogen thruster concepts, and to establish a means for evolving from the IOC space station propulsion to that required to support and interface with advanced station functions. The evaluation of concepts was completed. The accumulator module of the test bed was completed and, with the microprocessor controller, delivered to NASA-MSFC. An oxygen/hydrogen thruster was modified for use with the test bed and successfully tested at mixture ratios from 4:1 to 8:1.

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

NASA Astrophysics Data System (ADS)

Patki, Gauri Dilip

Hydrogen is a promising energy carrier, for use in fuel cells, engines, and turbines for transportation or mobile applications. Hydrogen is desirable as an energy carrier, because its oxidation by air releases substantial energy (thermally or electrochemically) and produces only water as a product. In contrast, hydrocarbon energy carriers inevitably produce CO2, contributing to global warming. While CO2 capture may prove feasible in large stationary applications, implementing it in transportation and mobile applications is a daunting challenge. Thus a zero-emission energy carrier like hydrogen is especially needed in these cases. Use of H2 as an energy carrier also brings new challenges such as safe handling of compressed hydrogen and implementation of new transport, storage, and delivery processes and infrastructure. With current storage technologies, hydrogen's energy per volume is very low compared to other automobile fuels. High density storage of compressed hydrogen requires combinations of high pressure and/or low temperature that are not very practical. An alternative for storage is use of solid light weight hydrogenous material systems which have long durability, good adsorption properties and high activity. Substantial research has been conducted on carbon materials like activated carbon, carbon nanofibers, and carbon nanotubes due to their high theoretical hydrogen capacities. However, the theoretical values have not been achieved, and hydrogen uptake capacities in these materials are below 10 wt. %. In this thesis we investigated the use of silicon for hydrogen generation. Hydrogen generation via water oxidation of silicon had been ignored due to slow reaction kinetics. We hypothesized that the hydrogen generation rate could be improved by using high surface area silicon nanoparticles. Our laser-pyrolysis-produced nanoparticles showed surprisingly rapid hydrogen generation and high hydrogen yield, exceeding the theoretical maximum of two moles of H2 per mole of Si. We compare our silicon nanoparticles (˜10nm diameter) with commercial silicon nanopowder (<100nm diameter) and ball-milled silicon powder (325 mesh). The increase in rate upon decreasing the particle size to 10 nm was even greater than would be expected based upon the increase in surface area. While specific surface area increased by a factor of 6 in going from <100 nm to ˜10 nm particles, the hydrogen production rate increased by a factor of 150. However, in all cases, silicon requires a base (e.g. NaOH, KOH, hydrazine) to catalyze its reaction with water. Metal hydrides are also promising hydrogen storage materials. The optimum metal hydride would possess high hydrogen storage density at moderate temperature and pressure, release hydrogen safely and controllably, and be stable in air. Alkali metal hydrides have high hydrogen storage density, but exhibit high uncontrollable reactivity with water. In an attempt to control this explosive nature while maintaining high storage capacity, we mixed our silicon nanoparticles with the hydrides. This has dual benefits: (1) the hydride- water reaction produces the alkali hydroxide needed for base-catalyzed silicon oxidation, and (2) dilution with 10nm coating by, the silicon may temper the reactivity of the hydride, making the process more controllable. Initially, we analyzed hydrolysis of pure alkali metal hydrides and alkaline earth metal hydrides. Lithium hydride has particularly high hydrogen gravimetric density, along with faster reaction kinetics than sodium hydride or magnesium hydride. On analysis of hydrogen production we found higher hydrogen yield from the silicon nanoparticle—metal hydride mixture than from pure hydride hydrolysis. The silicon-hydride mixtures using our 10nm silicon nanoparticles produced high hydrogen yield, exceeding the theoretical yield. Some evidence of slowing of the hydride reaction rate upon addition of silicon nanoparticles was observed.

Computational Evaluation of Mixtures of Hydrofluorocarbons and Deep Eutectic Solvents for Absorption Refrigeration Systems.

PubMed

Abedin, Rubaiyet; Heidarian, Sharareh; Flake, John C; Hung, Francisco R

2017-10-24

We used computational tools to evaluate three working fluid mixtures for single-effect absorption refrigeration systems, where the generator (desorber) is powered by waste or solar heat. The mixtures studied here resulted from combining a widely used hydrofluorocarbon (HFC) refrigerant, R134a, with three common deep eutectic solvents (DESs) formed by mixing choline chloride (hydrogen bond acceptor, HBA) with urea, glycerol, or ethylene glycol as the hydrogen bond donor (HBD) species. The COSMOtherm/TmoleX software package was used in combination with refrigerant data from NIST/REFPROP, to perform a thermodynamic evaluation of absorption refrigeration cycles using the proposed working fluid mixtures. Afterward, classical MD simulations of the three mixtures were performed to gain insight on these systems at the molecular level. Larger cycle efficiencies are obtained when R134a is combined with choline chloride and ethylene glycol, followed by the system where glycerol is the HBD, and finally that where the HBD is urea. MD simulations indicate that the local density profiles of all species exhibit very sharp variations in systems containing glycerol or urea; furthermore, the Henry's law constants of R134a in these two systems are larger than those observed for the HFC in choline chloride and ethylene glycol, indicating that R134a is more soluble in the latter DES. Interaction energies indicate that the R134a-R134a interactions are weaker in the system where ethylene glycol is the HBD, as compared to in the other DES. Radial distribution functions confirm that in all systems, the DES species do not form strong directional interactions (e.g., hydrogen bonds) with the R134a molecules. Relatively strong interactions are observed between the Cl anions and the hydrogen atoms in R134a; however, the atom-atom interactions between R134a and the cation and HBD species are weaker and do not play a significant role in the solvation of the refrigerant. In all systems, R134a has the largest diffusion coefficients, followed by the HBD, the anion and the cation; the diffusion coefficients are the largest in the systems containing ethylene glycol, followed by those having glycerol and urea. This work is our first step toward our long-term goal of designing and demonstrating optimal working fluid mixtures for use in absorption refrigeration systems. Our results suggest that COSMO-RS can be used to perform a rapid screening of a large number of working fluid mixtures, and select a few candidates for further exploration using molecular simulations and experiments. These latter approaches can be used to refine the accuracy of the COSMO-RS predictions, and to optimize the selection of optimal working fluid mixtures for demonstration in absorption refrigeration systems powered by solar or waste heat sources.

Emissions and Total Energy Consumption of a Multicylinder Piston Engine Running on Gasoline and a Hydrogen-gasoline Mixture

NASA Technical Reports Server (NTRS)

Cassidy, J. F.

1977-01-01

A multicylinder reciprocating engine was used to extend the efficient lean operating range of gasoline by adding hydrogen. Both bottled hydrogen and hydrogen produced by a research methanol steam reformer were used. These results were compared with results for all gasoline. A high-compression-ratio, displacement production engine was used. Apparent flame speed was used to describe the differences in emissions and performance. Therefore, engine emissions and performance, including apparent flame speed and energy lost to the cooling system and the exhaust gas, were measured over a range of equivalence ratios for each fuel. All emission levels decreased at the leaner conditions. Adding hydrogen significantly increased flame speed over all equivalence ratios.

Isothermal Decomposition of Hydrogen Peroxide Dihydrate

NASA Technical Reports Server (NTRS)

Loeffler, M. J.; Baragiola, R. A.

2011-01-01

We present a new method of growing pure solid hydrogen peroxide in an ultra high vacuum environment and apply it to determine thermal stability of the dihydrate compound that forms when water and hydrogen peroxide are mixed at low temperatures. Using infrared spectroscopy and thermogravimetric analysis, we quantified the isothermal decomposition of the metastable dihydrate at 151.6 K. This decomposition occurs by fractional distillation through the preferential sublimation of water, which leads to the formation of pure hydrogen peroxide. The results imply that in an astronomical environment where condensed mixtures of H2O2 and H2O are shielded from radiolytic decomposition and warmed to temperatures where sublimation is significant, highly concentrated or even pure hydrogen peroxide may form.

Combustibles sensor

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

Pebler, A.R.

1980-02-26

A gaseous mixture of oxygen and fuel (Combustibles) is supplied to first and second electrodes disposed on opposite surfaces of an oxygen ion conductive solid electrolyte member wherein the electrodes are composed of different materials each exhibiting a different catalytic action on the gaseous mixture at a given temperature. The difference in oxygen potentials established at the respective electrodes as a result of the dissimilar catalytic action produces oxygen ion conductivity in the solid electrolyte cell which produces an electrical signal the magnitude of which is indicative of the combustible present in the mixture, I.E., methane, hydrogen, carbon monoxide, etc.

Methane and hydrogen ignition with ethanol and butanol admixtures

NASA Astrophysics Data System (ADS)

Eremin, A. V.; Matveeva, N. A.; Mikheyeva, E. Yu

2018-01-01

This work is devoted to the investigation of combustion of simple and complex gaseous fuels: methane and hydrogen with admixtures of the most promising alcohols: ethanol and butanol. The process of ignition of investigated blends behind reflected shock waves in the temperature range of 1000-1600 K and pressure range of 4.5-6 bar was studied. The temperature dependences of ignition delay times for stoichiometric methane-oxygen-ethanol (or butanol) and hydrogen-oxygen-ethanol (or butanol) mixtures diluted in argon were obtained. The possible kinetic description is discussed.

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

NASA Astrophysics Data System (ADS)

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

2017-02-01

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

Study of light backgrounds from relativistic electrons in air light-guides

NASA Astrophysics Data System (ADS)

Riordan, S.; Zhao, Y. X.; Baunack, S.; Becker, D.; Clarke, C.; Dehmelt, K.; Deshpande, A.; Gericke, M.; Gläser, B.; Imai, K.; Kutz, T.; Maas, F. E.; McNulty, D.; Pan, J.; Park, S.; Rahman, S.; Souder, P. A.; Wang, P.; Wellman, B.; Kumar, K. S.

2018-07-01

The MOLLER experiment proposed at the Thomas Jefferson National Accelerator Facility plans a precision low energy determination of the weak mixing angle via the measurement of the parity-violating asymmetry in the scattering of high energy longitudinally polarized electrons from electrons bound in a liquid hydrogen target (Møller scattering). A relative measure of the scattering rate is planned to be obtained by intercepting the Møller scattered electrons with a circular array of thin fused silica tiles attached to air light guides, which facilitate the transport of Cherenkov photons generated within the tiles to photomultiplier tubes (PMTs). The scattered flux will also pass through the light guides of downstream tiles, generating additional Cherenkov as well as scintillation light and is a potential background. In order to estimate the rate of these backgrounds, a gas-filled tube detector was designed and deployed in an electron beam at the MAMI facility at Johannes Gutenberg University, Mainz, Germany. Described in this paper is the design of a detector to measure separately the scintillation and Cherenkov responses of gas mixtures from relativistic electrons, the results of studies of several gas mixtures with comparisons to simulations, and conclusions about the implications for the design of the MOLLER detector apparatus.

Flammability limits of lithium-ion battery thermal runaway vent gas in air and the inerting effects of halon 1301

NASA Astrophysics Data System (ADS)

Karp, Matthew Eugene

Lithium-ion (rechargeable) and lithium-metal (non-rechargeable) battery cells put aircraft at risk of igniting and fueling fires. Lithium batteries can be packed in bulk and shipped in the cargo holds of freighter aircraft; currently lithium batteries are banned from bulk shipment on passenger aircraft [1]. The federally regulated Class C cargo compartment extinguishing system's utilization of a 5 %vol Halon 1301 knockdown concentration and a sustained 3 %vol Halon 1301 may not be sufficient at inerting lithium-ion battery vent gas and air mixtures [2]. At 5 %vol Halon 1301 the flammability limits of lithium-ion premixed battery vent gas (Li-Ion pBVG) in air range from 13.80 %vol to 26.07 %vol Li-Ion pBVG. Testing suggests that 8.59 %vol Halon 1301 is required to render all ratios of the Li-Ion pBVG in air inert. The lower flammability limit (LFL) and upper flammability limit (UFL) of hydrogen and air mixtures are 4.95 %vol and 76.52 %vol hydrogen, respectively. With the addition of 10 %vol and 20 %vol Halon 1301 the LFL is 9.02 %vol and 11.55 %vol hydrogen, respectively, and the UFL is 45.70 %vol and 28.39 %vol hydrogen, respectively. The minimum inerting concentration (MIC) of Halon 1301 in hydrogen and air mixtures is 26.72 %vol Halon 1301 at 16.2 %vol hydrogen. The LFL and UFL of Li-Ion pBVG and air mixtures are 7.88 %vol and 37.14 %vol Li-Ion pBVG, respectively. With the addition of 5 %vol, 7 %vol, and 8 %vol Halon 1301 the LFL is 13.80 %vol, 16.15 %vol, and 17.62 % vol Li-Ion pBVG, respectively, and the UFL is 26.07 %vol, 23.31 %vol, and 21.84 %vol Li- Ion pBVG, respectively. The MIC of Halon 1301 in Li-Ion pBVG and air mixtures is 8.59 %vol Halon 1301 at 19.52 %vol Li-Ion pBVG. Le Chatelier's mixing rule has been shown to be an effective measure for estimating the flammability limits of Li-Ion pBVGes. The LFL has a 1.79 % difference while the UFL has a 4.53 % difference. The state of charge (SOC) affects the flammability limits in an apparent parabolic manner, where the widest flammability limits are at or near 100 % SOC. [1] IATA. Lithium Battery Guidance Document. 7 Jan. 2016. Guidance for complying with provisions applicable to the transport by air of lithium batteries as set out in the 57th Edition of the IATA Dangerous Goods Regulations (DGR). [2] Webster, Harry. Flammability assessment of bulk-packed, rechargeable lithium-ion cells in transport category aircraft. Office of Aviation Research, Federal Aviation Administration, 2006.

Comparative study of thermochemical processes for hydrogen production from biomass fuels.

PubMed

Biagini, Enrico; Masoni, Lorenzo; Tognotti, Leonardo

2010-08-01

Different thermochemical configurations (gasification, combustion, electrolysis and syngas separation) are studied for producing hydrogen from biomass fuels. The aim is to provide data for the production unit and the following optimization of the "hydrogen chain" (from energy source selection to hydrogen utilization) in the frame of the Italian project "Filiera Idrogeno". The project focuses on a regional scale (Tuscany, Italy), renewable energies and automotive hydrogen. Decentred and small production plants are required to solve the logistic problems of biomass supply and meet the limited hydrogen infrastructures. Different options (gasification with air, oxygen or steam/oxygen mixtures, combustion, electrolysis) and conditions (varying the ratios of biomass and gas input) are studied by developing process models with uniform hypothesis to compare the results. Results obtained in this work concern the operating parameters, process efficiencies, material and energetic needs and are fundamental to optimize the entire hydrogen chain. Copyright 2010 Elsevier Ltd. All rights reserved.

AB INITIO EQUATIONS OF STATE FOR HYDROGEN (H-REOS.3) AND HELIUM (He-REOS.3) AND THEIR IMPLICATIONS FOR THE INTERIOR OF BROWN DWARFS

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

Becker, Andreas; Lorenzen, Winfried; Schöttler, Manuel

2015-01-01

We present new equations of state (EOSs) for hydrogen and helium covering a wide range of temperatures from 60 K to 10{sup 7} K and densities from 10{sup –10} g cm{sup –3} to 10{sup 3} g cm{sup –3}. They include an extended set of ab initio EOS data for the strongly correlated quantum regime with an accurate connection to data derived from other approaches for the neighboring regions. We compare linear mixing isotherms based on our EOS tables with available real mixture data. A first important astrophysical application of this new EOS data is the calculation of interior models formore » Jupiter and comparison with recent results. Second, mass-radius relations are calculated for Brown Dwarfs (BDs) which we compare with predictions derived from the widely used EOS of Saumon, Chabrier, and van Horn. Furthermore, we calculate interior models for typical BDs with different masses, namely, Corot-3b, Gliese-229b, and Corot-15b, and the giant planet KOI-889b. The predictions for the central pressures and densities differ by up to 10% dependent on the EOS used. Our EOS tables are made available in the supplemental material of this paper.« less

Gas fired boilers: Perspective for near future fuel composition and impact on burner design process

NASA Astrophysics Data System (ADS)

Schiro, Fabio; Stoppato, Anna; Benato, Alberto

2017-11-01

The advancements on gas boiler technology run in parallel with the growth of renewable energy production. The renewable production will impact on the fuel gas quality, since the gas grid will face an increasing injection of alternative fuels (biogas, biomethane, hydrogen). Biogas allows producing energy with a lower CO2 impact; hydrogen production by electrolysis can mitigate the issues related to the mismatch between energy production by renewable and energy request. These technologies will contribute to achieve the renewable production targets, but the impact on whole fuel gas production-to-consumption chain must be evaluated. In the first part of this study, the Authors present the future scenario of the grid gas composition and the implications on gas fed appliances. Given that the widely used premixed burners are currently designed mainly by trial and error, a broader fuel gas quality range means an additional hitch on this design process. A better understanding and structuring of this process is helpful for future appliance-oriented developments. The Authors present an experimental activity on a premixed condensing boiler setup. A test protocol highlighting the burners' flexibility in terms of mixture composition is adopted and the system fuel flexibility is characterized around multiple reference conditions.

CO2 diffusion in champagne wines: a molecular dynamics study.

PubMed

Perret, Alexandre; Bonhommeau, David A; Liger-Belair, Gérard; Cours, Thibaud; Alijah, Alexander

2014-02-20

Although diffusion is considered as the main physical process responsible for the nucleation and growth of carbon dioxide bubbles in sparkling beverages, the role of each type of molecule in the diffusion process remains unclear. In the present study, we have used the TIP5P and SPC/E water models to perform force field molecular dynamics simulations of CO2 molecules in water and in a water/ethanol mixture respecting Champagne wine proportions. CO2 diffusion coefficients were computed by applying the generalized Fick's law for the determination of multicomponent diffusion coefficients, a law that simplifies to the standard Fick's law in the case of champagnes. The CO2 diffusion coefficients obtained in pure water and water/ethanol mixtures composed of TIP5P water molecules were always found to exceed the coefficients obtained in mixtures composed of SPC/E water molecules, a trend that was attributed to a larger propensity of SPC/E water molecules to form hydrogen bonds. Despite the fact that the SPC/E model is more accurate than the TIP5P model to compute water self-diffusion and CO2 diffusion in pure water, the diffusion coefficients of CO2 molecules in the water/ethanol mixture are in much better agreement with the experimental values of 1.4 - 1.5 × 10(-9) m(2)/s obtained for Champagne wines when the TIP5P model is employed. This difference was deemed to rely on the larger propensity of SPC/E water molecules to maintain the hydrogen-bonded network between water molecules and form new hydrogen bonds with ethanol, although statistical issues cannot be completely excluded. The remarkable agreement between the theoretical CO2 diffusion coefficients obtained within the TIP5P water/ethanol mixture and the experimental data specific to Champagne wines makes us infer that the diffusion coefficient in these emblematic hydroalcoholic sparkling beverages is expected to remain roughly constant whathever their proportions in sugars, glycerol, or peptides.

Molybdenum enhanced low-temperature deposition of crystalline silicon nitride

DOEpatents

Lowden, R.A.

1994-04-05

A process for chemical vapor deposition of crystalline silicon nitride is described which comprises the steps of: introducing a mixture of a silicon source, a molybdenum source, a nitrogen source, and a hydrogen source into a vessel containing a suitable substrate; and thermally decomposing the mixture to deposit onto the substrate a coating comprising crystalline silicon nitride containing a dispersion of molybdenum silicide. 5 figures.

Thermodynamics of Thomas-Fermi screened Coulomb systems

NASA Technical Reports Server (NTRS)

Firey, B.; Ashcroft, N. W.

1977-01-01

We obtain in closed analytic form, estimates for the thermodynamic properties of classical fluids with pair potentials of Yukawa type, with special reference to dense fully ionized plasmas with Thomas-Fermi or Debye-Hueckel screening. We further generalize the hard-sphere perturbative approach used for similarly screened two-component mixtures, and demonstrate phase separation in this simple model of a liquid mixture of metallic helium and hydrogen.

RECTIFIED ABSORPTION METHOD FOR THE SEPARATION OF HYDROGEN ISOTOPES

DOEpatents

Hunt, C.D.; Hanson, D.N.

1961-10-17

A method is described for separating and recovering heavy hydrogen isotopes from gaseous mixtures by multiple stage cyclic absorption and rectification from an approximate solvent. In particular, it is useful for recovering such isoteoes from ammonia feedstock streams containing nitrogen solvent. Modifications of the process ranging from isobaric to isothermal are provided. Certain impurities are tolerated, giving advantages over conventional fractional distillation processes. (AEC)

Detailed Kinetic Mechanism of the Combustion of Homogeneous Gaseous Mixtures with Participation of Oxygen-containing Oxidants

NASA Astrophysics Data System (ADS)

Baevich, V. Ya

1987-05-01

The kinetic mechanisms of the oxidation and combustion of hydrogen, methane, methyl alcohol, acetylene, ethylene, ethane, and methylamine, using oxygen as well as hydrogen peroxide and nitric acid as oxidants, are discussed. The calculated and experimental data obtained under static conditions, in a flow, during flame propagation, and in shock tubes are compared. The bibliography includes 184 references.

CONTINUOUS PROCESS FOR THE CONVERSION OF UF$sub 6$ TO UF$sub 4$

DOEpatents

Smiley, S.H.; Brater, D.C.; Nimmo, R.H.

1959-10-01

A method is presented for reducing UF/sub 6/ to UF/sub 6/ with hydrogen. A preheated mixture of UF/sub 6/ and fluorine is contacted with a stoichiometric excess of preheated hydrogen in a reaction chamber thereby producing UF/sub 6/. The UF/sub 6/ reacts quantitatively and the UF/sub 6/ produced is of high purity and high density.

Simultaneous treatment of dimethyl disulfide and hydrogen sulfide in an alkaline biotrickling filter.

PubMed

Arellano-García, Luis; Le Borgne, Sylvie; Revah, Sergio

2018-01-01

Foul odors comprise generally a complex mixture of molecules, where reduced sulfur compounds play a key role due to their toxicity and low odor threshold. Previous reports on treating mixtures of sulfur compounds in single biofilters showed that hydrogen sulfide (H 2 S) interferes with the removal and degradation of other sulfur compounds. In this study, hydrogen sulfide (H 2 S) and dimethyl disulfide (DMDS) were fed to an alkaline biotrickling filter (ABTF) at pH 10, to evaluate the simultaneous removal of inorganic and organic sulfur compounds in a single, basic-pH system. The H 2 S-DMDS mixture was treated for more than 200 days, with a gas residence time of 40 s, attaining elimination capacities of 86 g DMDS m -3 h -1 and 17 g H2S m -3 h -1 and removal efficiencies close to 100%. Conversion of H 2 S and DMDS to sulfate was generally above 70%. Consumption of sulfide and formaldehyde was verified by respirometry, suggesting the coexistence of both methylotrophic and chemoautotrophic breakdown pathways by the immobilized alkaliphilic biomass. The molecular biology analysis showed that the long-term acclimation of the ABTF led to a great variety of bacteria, predominated by Thioalkalivibrio species, while fungal community was notoriously less diverse and dominated by Fusarium species. Copyright © 2017. Published by Elsevier Ltd.

Microwave plasma torches used for hydrogen production

NASA Astrophysics Data System (ADS)

Dias, F. M.; Bundaleska, N.; Henriques, J.; Tatarova, E.; Ferreira, C. M.

2014-06-01

A microwave plasma torch operating at 2.45 GHz and atmospheric pressure has been used as a medium and a tool for decomposition of alcohol in order to produce molecular hydrogen. Plasma in a gas mixture of argon and ethanol/methanol, with or without water, has been created using a waveguide surfatron launcher and a microwave generator delivering a power in the range 0.2-2.0 kW. Mass, Fourier Transform Infrared, and optical emission spectrometry have been applied as diagnostic tools. The decomposition yield of methanol was nearly 100 % with H2, CO, CO2, H2O, and solid carbon as the main reaction products. The influence of the fraction of Ar flow through the liquid ethanol/methanol on H2, CO, and CO2 partial pressures has been investigated, as well as the dependence of the produced H2 flow on the total flow and power. The optical emission spectrum in the range 250-700 nm has also been detected. There is a decrease of the OH(A-X) band intensity with the increase of methanol in the mixture. The emission of carbon atoms in the near UV range (240-300 nm) exhibits a significant increase as the amount of alcohol in the mixture grows. The obtained results clearly show that this microwave plasma torch at atmospheric pressure provides an efficient plasma environment for hydrogen production.

THE IMPACT OF OZONE ON THE LOWER FLAMMABLE LIMIT OF HYDROGEN IN VESSELS CONTAINING SAVANNAH RIVER SITE HIGH LEVEL WASTE

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

Sherburne, Carol; Osterberg, Paul; Johnson, Tom

The Savannah River Site, in conjunction with AREVA Federal services, has designed a process to treat dissolved radioactive waste solids with ozone. It is known that in this radioactive waste process, radionuclides radiolytically break down water into gaseous hydrogen and oxygen, which presents a well defined flammability hazard. Flammability limits have been established for both ozone and hydrogen separately; however, there is little information on mixtures of hydrogen and ozone. Therefore, testing was designed to provide critical flammability information necessary to support safety related considerations for the development of ozone treatment and potential scale-up to the commercial level. Since informationmore » was lacking on flammability issues at low levels of hydrogen and ozone, a testing program was developed to focus on filling this portion of the information gap. A 2-L vessel was used to conduct flammability tests at atmospheric pressure and temperature using a fuse wire ignition source at 1 percent ozone intervals spanning from no ozone to the Lower Flammable Limit (LFL) of ozone in the vessel, determined as 8.4%(v/v) ozone. An ozone generator and ozone detector were used to generate and measure the ozone concentration within the vessel in situ, since ozone decomposes rapidly on standing. The lower flammability limit of hydrogen in an ozone-oxygen mixture was found to decrease from the LFL of hydrogen in air, determined as 4.2 % (v/v) in this vessel. From the results of this testing, Savannah River was able to develop safety procedures and operating parameters to effectively minimize the formation of a flammable atmosphere.« less

Arcjet starting reliability - A multistart test on hydrogen/nitrogen mixtures

NASA Technical Reports Server (NTRS)

Haag, Thomas W.; Curran, Frank M.

1987-01-01

An arcjet starting reliability test was performed to investigate one feasibility issue in the use of arcjets on board a satellite for north-south stationkeeping. A 1 kW arcjet was run on hydrogen/nitrogen gas mixtures simulating decomposed hydrazine. A pulse width modulated power supply with an integral high voltage starting pulser was used for arc ignition and steady-state operation. The test was performed in four phases in order to determine if starting characteristics changed as a result of long term thruster operation. More than 300 successful starts were accumulated over an operating time of 18 hr. Overall results indicate that there is a link between starting characteristics and long term thruster operation; however, the large number of starts had no effect on steady-state performance.

Arcjet starting reliability: A multistart test on hydrogen/nitrogen mixtures

NASA Technical Reports Server (NTRS)

Haag, Thomas W.; Curran, Frank M.

1987-01-01

An arcjet starting reliability test was performed to investigate one feasibility issue in the use of arcjets onboard a satellite for north-south stationkeeping. A 1 kW arcjet was run on hydrogen/nitrogen gas mixtures simulating decomposed hydrazine. A pulse width modulated power supply with an integral high voltage starting pulser was used for arc ignition and steady-state operation. The test was performed in four phases in order to determine if starting characteristics changed as a result of long term thruster operation. More than 300 successful starts were accumulated over an operating time of 18 hrs. Overall results indicate that there is a link between starting characteristics and long term thruster operation; however, the large number of starts had no effect on steady-state performance.

Method for removing sulfur oxide from waste gases and recovering elemental sulfur

DOEpatents

Moore, Raymond H.

1977-01-01

A continuous catalytic fused salt extraction process is described for removing sulfur oxides from gaseous streams. The gaseous stream is contacted with a molten potassium sulfate salt mixture having a dissolved catalyst to oxidize sulfur dioxide to sulfur trioxide and molten potassium normal sulfate to solvate the sulfur trioxide to remove the sulfur trioxide from the gaseous stream. A portion of the sulfur trioxide loaded salt mixture is then dissociated to produce sulfur trioxide gas and thereby regenerate potassium normal sulfate. The evolved sulfur trioxide is reacted with hydrogen sulfide as in a Claus reactor to produce elemental sulfur. The process may be advantageously used to clean waste stack gas from industrial plants, such as copper smelters, where a supply of hydrogen sulfide is readily available.

Effect of Hydrogen Post-Annealing on Transparent Conductive ITO/Ga2O3 Bi-Layer Films for Deep Ultraviolet Light-Emitting Diodes.

PubMed

Kim, Kyeong Heon; Kim, Su Jin; Park, Sang Young; Kim, Tae Geun

2015-10-01

The effect of hydrogen post-annealing on the electrical and optical properties of ITO/Ga2O bi-layer films, deposited by RF magnetron sputtering, is investigated for potential applications to transparent conductive electrodes of ultraviolet (UV) light-emitting diodes. Three samples--an as-deposited sample and two samples post-annealed in N2 gas and N2-H2 gas mixture--were prepared and annealed at different temperatures ranging from 100 °C to 500 °C for comparison. Among these samples, the sample annealed at 300 °C in a mixture of N2 and H2 gases shows the lowest sheet resistance of 301.3 Ω/square and a high UV transmittance of 87.1% at 300 nm.

Preconditioning of the YSZ-NiO Fuel Cell Anode in Hydrogenous Atmospheres Containing Water Vapor.

PubMed

Vasyliv, Bogdan; Podhurska, Viktoriya; Ostash, Orest

2017-12-01

The YSZ-NiO ceramics for solid oxide fuel cells (SOFCs) anode have been investigated. A series of specimens were singly reduced in a hydrogenous atmosphere (Ar-5 vol% H 2 mixture) at 600 °C under the pressure of 0.15 MPa or subjected to 'reduction in the mixture-oxidation in air' (redox) cycling at 600 °C. The YSZ-Ni cermets formed in both treatment conditions were then aged in 'water vapor in Ar-5 vol% H 2 mixture' atmosphere at 600 °C under the pressure of 0.15 MPa. Additionally, the behaviour of the as-received material in this atmosphere was studied. It was revealed that small amount of water vapor in Ar-5 vol% H 2 mixture (water vapor pressure below 0.03 MPa) does not affect the reduction of the nickel phase in the YSZ-NiO ceramics, but causes some changes in the YSZ-Ni cermet structure. In particular, nanopore growth in tiny Ni particles takes place. At higher concentration of water vapor in the mixture (water vapor pressure above 0.03-0.05 MPa), converse changes in the kinetics of reduction occur. The best physical and mechanical properties were revealed for the material treated by redox cycling after holding at 600 °C in water depleted gas mixture. The dual effect of water vapor on nickel-zirconia anode behaviour is discussed basing on scanning electron microscopy analysis data, material electrical conductivity, and strength.

Plutonium dissolution process

DOEpatents

Vest, M.A.; Fink, S.D.; Karraker, D.G.; Moore, E.N.; Holcomb, H.P.

1994-01-01

A two-step process for dissolving Pu metal is disclosed in which two steps can be carried out sequentially or simultaneously. Pu metal is exposed to a first mixture of 1.0-1.67 M sulfamic acid and 0.0025-0.1 M fluoride, the mixture having been heated to 45-70 C. The mixture will dissolve a first portion of the Pu metal but leave a portion of the Pu in an oxide residue. Then, a mineral acid and additional fluoride are added to dissolve the residue. Alternatively, nitric acid between 0.05 and 0.067 M is added to the first mixture to dissolve the residue as it is produced. Hydrogen released during the dissolution is diluted with nitrogen.

Hydrogen storage properties of nano-structural carbon and metal hydrides composites

NASA Astrophysics Data System (ADS)

Miyaoka, Hiroki; Ichikawa, Takayuki; Isobe, Shigehito; Fujii, Hironobu

2006-08-01

Thermodynamic and structural properties of some ball-milled mixtures composed of the hydrogenated nanostructural carbon (C nanoH x) and metal hydride (MH; M=Li, Na, Mg and Ca) were examined from thermal desoroption mass spectroscopy and powder X-ray diffraction, respectively. The results showed that the hydrogen desorption temperatures are significantly lowered from those of each hydride (C nanoH x, MH) in the composites. This indicates that a new type of interaction exists between C nanoH x and MH, which destabilizes C-H and/or M-H bonding as well. Therefore, the above Metal-C-H system would be recognized as a new family of hydrogen storage materials.

Width-Increased Dual-Pump Enhanced Coherent Anti-Stokes Raman Spectroscopy (WIDECARS)

NASA Technical Reports Server (NTRS)

Tedder, Sarah A.; Wheeler, Jeffrey L.; Danehy, Paul M.

2010-01-01

WIDECARS is a dual-pump coherent anti-Stokes Raman Spectroscopy technique that is capable of simultaneously measuring temperature and species mole fractions of N2, O2, H2, C2H4, CO, and CO2. WIDECARS is designed for measurements of all the major species (except water) in supersonic combustion flows fueled with hydrogen and hydrogen/ethylene mixtures. The two lowest rotational energy levels of hydrogen detectable by WIDECARS are H2 S(3) and H2 S(4). The detection of these lines gives the system the capability to measure temperature and species concentrations in regions of the flow containing pure hydrogen fuel at room temperature.

Development and use of hydrogen-air torches in an altitude facility

NASA Technical Reports Server (NTRS)

Lottig, Roy A.; Huber, Gary T.

1993-01-01

A hydrogen-air ignition torch concept that had been used successfully in two rocket engine test facilities to consume excess hydrogen in their exhausters at atmospheric conditions was experimentally evaluated and developed in an altitude test facility at NASA Lewis Research Center. The idea was to use several of these torches in conjunction with hydrogen detectors and dilution air to prevent excess accumulation of unburned hydrogen or mixtures of hydrogen and air exceeding the sea-level lower flammability limit in the altitude facility exhaust system during hydrogen-fueled propulsion system tests. The torches were evaluated for a range of fuel-to-air ratios from 0.09 to 0.39 and for a range of exit diameters from 19/64 to 49/64 in. From the results of these tests a torch geometry and a fuel-to-air ratio were selected that produced a reasonably sized torch exhaust flame for consumption of unburned hydrogen at altitude pressures from sea level to 4 psia.

Hydrogenation and hydrogen intercalation of hexagonal boron nitride on Ni(1 1 1): reactivity and electronic structure

NASA Astrophysics Data System (ADS)

Späth, F.; Gebhardt, J.; Düll, F.; Bauer, U.; Bachmann, P.; Gleichweit, C.; Görling, A.; Steinrück, H.-P.; Papp, C.

2017-09-01

We investigate the reactivity of hexagonal boron nitride (h-BN) on a Ni(1 1 1) single crystal towards atomic hydrogen over a wide exposure range. Near edge x-ray absorption fine structure and x-ray photoelectron spectroscopy (XPS) show that for low hydrogen exposures hydrogenation of the h-BN sheet is found. In contrast, intercalation of hydrogen between h-BN and the Ni(1 1 1) substrate occurs for high exposures. For intermediate regimes, a mixture of intercalation and hydrogenation is observed. From temperature-programmed desorption and temperature-programmed XPS experiments, we conclude that the hydrogen covalently bound to h-BN is rather stable with a desorption temperature of 600 K, while intercalated hydrogen is desorbing already at 390 K. Further insight into the structural arrangements and the thermodynamics of the system is obtained by comparing our experimental results with extensive density-functional theory calculations. Together with ultraviolet photoelectron spectroscopy measurements, the calculations provide detailed insight into the influence of hydrogenation on the electronic structure of h-BN.

Deuterium separation by infrared-induced addition reaction

DOEpatents

Marling, John B.

1977-01-01

A method for deuterium enrichment by the infrared-induced addition reaction of a deuterium halide with an unsaturated aliphatic compound. A gaseous mixture of a hydrogen halide feedstock and an unsaturated aliphatic compound, particularly an olefin, is irradiated to selectively vibrationally excite the deuterium halide contained therein. The excited deuterium halide preferentially reacts with the unsaturated aliphatic compound to produce a deuterated addition product which is removed from the reaction mixture.

Process for the synthesis of iron powder

DOEpatents

Not Available

1982-03-06

A process for preparing iron powder suitable for use in preparing the iron-potassium perchlorate heat-powder fuel mixture used in thermal batteries, comprises preparing a homogeneous, dense iron oxide hydroxide precipitate by homogeneous precipitation from an aqueous mixture of a ferric salt, formic or sulfuric acid, ammonium hydroxide and urea as precipitating agent; and then reducing the dense iron oxide hydroxide by treatment with hydrogen to prepare the iron powder.

Process for the synthesis of iron powder

DOEpatents

Welbon, William W.

1983-01-01

A process for preparing iron powder suitable for use in preparing the iron-potassium perchlorate heat-powder fuel mixture used in thermal batteries, comprises preparing a homogeneous, dense iron oxide hydroxide precipitate by homogeneous precipitation from an aqueous mixture of a ferric salt, formic or sulfuric acid, ammonium hydroxide and urea as precipitating agent; and then reducing the dense iron oxide hydroxide by treatment with hydrogen to prepare the iron powder.

Ethylene Glycol - Polyethylene Glycol (EG-PEG) Mixtures: Infrared Spectra Wavelet Cross-Correlation Analysis.

PubMed

Caccamo, Maria Teresa; Magazù, Salvatore

2017-03-01

Infrared spectra were collected on mixtures of ethylene glycol (EG) and polyethylene glycol 600 (PEG600) as a function of weight fraction from pure EG to pure PEG600. In this paper, it will be shown that while the OH vibrational contribution drastically reduces its center frequency from 3450 cm -1 to 3300 cm -1 in the weight fraction range 0-25%, the displacement of the mixture spectral features of the mixtures from ideal behavior, i.e., in the absence of interaction, shows the presence of a non-ideal mixing process. Furthermore, wavelet cross-correlation analysis of the registered pairs of spectra and of the intramolecular O-H stretching contributions reveals how the addition of a small amount of pure EG to PEG600 dramatically influences the structural properties of the polymeric matrix, owing to an increase the intermolecular connectivity. In particular, the wavelet cross-correlation parameters, evaluated between each pair of the registered data as a function of weight fraction, in a linear-logarithmic plot, reveals an inflection point for a weight fraction of about 25% of EG, which confirms that, within the three-dimensional networks of hydrogen-bonded EG-PEG600 molecules, a key role is played by EG in determining an increase in the hydrogen-bond network density.

Sustainable hydrogen production from bio-oil model compounds (meta-xylene) and mixtures (1-butanol, meta-xylene and furfural).

PubMed

Bizkarra, K; Barrio, V L; Arias, P L; Cambra, J F

2016-09-01

In the present work m-xylene and an equimolecular mixture of m-xylene, 1-butanol and furfural, all of them bio-oil model compounds, were studied in steam reforming (SR) conditions. Three different nickel catalysts, which showed to be active in 1-butanol SR (Ni/Al2O3, Ni/CeO2-Al2O3 and Ni/La2O3-Al2O3), were tested and compared with thermodynamic equilibrium values. Tests were carried out at temperatures from 800 to 600°C at atmospheric pressure with a steam to carbon ratio (S/C) of 5.0. Despite the different bio-oils fed, the amount of moles going through the catalytic bed was kept constant in order to obtain comparable results. After their use, catalysts were characterized by different techniques and those values were correlated with the activity results. All catalysts were deactivated during the SR of the mixture, mainly by coking. The highest hydrogen yields were obtained with Ni/Al2O3 and Ni/CeO2-Al2O3 catalysts in the SR of m-xylene and SR of the mixture, respectively. Copyright © 2016 Elsevier Ltd. All rights reserved.

Development characteristics of polymethyl methacrylate in alcohol/water mixtures. A lithography and Raman spectroscopy study

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

Ocola, Leonidas E.; Costales, Maya; Gosztola, David J.

2015-12-10

Poly methyl methacrylate (PMMA) is the most widely used resist in electron beam lithography. This paper reports on a lithography and Raman spectroscopy study of development characteristics of PMMA in methanol, ethanol and isopropanol mixtures with water as developers. We have found that ethanol/water mixtures at a 4:1 volume ratio are an excellent, high resolution, non-toxic, developer for exposed PMMA. We also have found that the proper methodology to use so that contrast data can be compared to techniques used in polymer science is not to rinse the developed resist but to immediately dry with nitrogen. Our results show howmore » powerful simple lithographic techniques can be used to study ternary polymer solvent solutions when compared to other techniques used in the literature. Raman data shows that there both tightly bonded –OH groups and non-hydrogen bonded –OH groups play a role in the development of PMMA. Tightly hydrogen bonded –OH groups show pure Lorentzian Raman absorption only in the concentration ranges where ethanol/water and IPA/water mixtures are effective developers of PMMA. The impact of the understanding these interactions may open doors to a new developers of other electron beam resists that can reduce the toxicity of the waste stream.« less

Agent neutralization study IV. VX-caustic peroxide reactions. Final report, August 1993-February 1994

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

Hovanec, J.W.; Albizo, J.M.; Henderson, V.D.

1994-08-01

The use of concentrated mixtures of hydrogen peroxide and sodium hydroxide for the chemical neutralization (detoxification) of VX has been examined. The reaction of VX in 4 N sodium hydroxide/11% hydrogen peroxide is rapid and exothermic. Care must be taken to avoid temperature increases which can induce peroxide decomposition. This can be done by controlling the addition of VX to the reaction. (Author).

A conformationally persistent pseudo-bicyclic guanidinium for anion coordination as stabilized by dual intramolecular hydrogen bonds

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

Seipp, Charles A.; Williams, Neil J.; Bryantsev, Vyacheslav S.

2015-11-30

In this paper, the first example of a pseudo-bicyclic guanidinium ligand is reported. When bound to an anion, the N,N'-bis(2-pyridyl)guanidinium cation persistently adopts the planar α,α conformation featuring intramolecular N···H–N–H···N hydrogen bonds in the solid state, which facilitates crystallization of sulphate from aqueous mixtures of anions.

Fuels and Lubricants for Aircraft

DTIC Science & Technology

1975-02-27

probable but fundamentally possible is the use of hydrides, i.e., compounds of hydrogen "with other elements .(boranes, hydra-zine, ammonia ), alcohols...mixtures; 24. Liquid hydrogen; 25. Nitrogen hydrides and their derivatives ( ammonia , hydrazine, amines, DMH); 26. Boron, Al, Mg, Li, Be and other metals... method . For inflammation to occur, it is necessary that th’e rate of liberation of heat due to exochermic reactions in an initially heated volume of

Comparison of the toxicity of the peracetic acid formulations Wofasteril(c) E400, E250 and Lspez to Daphnia magna with emphasis on the effect of hydrogen peroxide

USDA-ARS?s Scientific Manuscript database

Commercial peracetic acid (PAA) formulations are acidic mixtures of PAA, hydrogen peroxide (H2O2), acetic acid (AA), H2O and stabilizers to maintain equilibrium of the concentrations. Different PAA formulations show diverse PAA/H2O2 ratios, leading to potentially different toxicities at the same con...

Conformers and hydrogen bonds in cytidine 5‧-diphosphocholine sodium single crystals grown from a mixture of ethanol and water

NASA Astrophysics Data System (ADS)

Du, Zhenxing; Hu, Yanan; Wang, Pei; Zhou, Jingwei; Xiong, Jian; Ying, Hanjie; Bai, Jianxin

2011-01-01

The molecular structure of cytidine 5'-diphosphocholine sodium (CDPC) grown from a mixture of ethanol and water was determined by X-ray diffraction (XRD). CDPC was found to have an orthorhombic structure with confirmed lattice parameters of a = 6.978 Å, b = 12.406 Å and c = 29.326 Å. This nucleotide coenzyme was highly folded and net-like. Each crystallographic unit consisted of one sodium atom, one pyrophosphate group, one cytosine group, one coordinated water molecule, one pentose molecule, and three lattice water molecules. The interspaces of neighboring CDPC molecules were filled with water molecules and methyl groups. Although the coordinated water was connected to sodium atoms, the lattice water molecules formed chair-shaped water hexamers. The hydrogen bonds which played an important role in maintaining the structure included O sbnd H···O, N sbnd H···O and C sbnd H···O and ranged in length from 2.682 (17) to 3.349 (17) Å. Fourier transform infrared spectroscopy (FTIR) showed a broad absorption in the 400-2000 cm -1 region characteristic of short hydrogen bonds. So for industrial crystallization, methods which could eliminate the influence of hydrogen bonds should be taken, and it would be beneficial for the process of crystallization.

Alternative Fuels Data Center

Science.gov Websites

mixture containing at least 85% methanol, denatured ethanol, or other alcohols; natural gas, propane , hydrogen, or coal derived liquid fuels; or fuels derived from biological materials. PEVs are defined as

Accelerated High-Resolution Differential Ion Mobility Separations Using Hydrogen

PubMed Central

Shvartsburg, Alexandre A.; Smith, Richard D.

2011-01-01

The resolving power of differential ion mobility spectrometry (FAIMS) was dramatically increased recently by carrier gases comprising up to 75% He or various vapors, enabling many new applications. However, the need for resolution of complex mixtures is virtually open-ended and many topical analyses demand yet finer separations. Also, the resolving power gains are often at the expense of speed, in particular making high-resolution FAIMS incompatible with online liquid-phase separations. Here, we report FAIMS employing hydrogen, specifically in mixtures with N2 containing up to 90% H2. Such compositions raise the mobilities of all ions and thus the resolving power beyond that previously feasible, while avoiding the electrical breakdown inevitable in He-rich mixtures. The increases in resolving power and ensuing peak resolution are especially significant at H2 fractions above ~50%. Higher resolution can be exchanged for acceleration of the analyses by up to ~4 times, at least. For more mobile species such as multiply-charged peptides, this exchange is presently forced by the constraints of existing FAIMS devices, but future designs optimized for H2 should consistently improve resolution for all analytes. PMID:22074292

Molecular Packing, Hydrogen Bonding, and Fast Dynamics in Lysozyme/Trehalose/Glycerol and Trehalose/Glycerol Glasses at Low Hydration.

PubMed

Lerbret, Adrien; Affouard, Frédéric

2017-10-12

Water and glycerol are well-known to facilitate the structural relaxation of amorphous protein matrices. However, several studies evidenced that they may also limit fast (∼picosecond-nanosecond, ps-ns) and small-amplitude (∼Å) motions of proteins, which govern their stability in freeze-dried sugar mixtures. To determine how they interact with proteins and sugars in glassy matrices and, thereby, modulate their fast dynamics, we performed molecular dynamics (MD) simulations of lysozyme/trehalose/glycerol (LTG) and trehalose/glycerol (TG) mixtures at low glycerol and water concentrations. Upon addition of glycerol and/or water, the glass transition temperature, T g , of LTG and TG mixtures decreases, the molecular packing of glasses is improved, and the mean-square displacements (MSDs) of lysozyme and trehalose either decrease or increase, depending on the time scale and on the temperature considered. A detailed analysis of the hydrogen bonds (HBs) formed between species reveals that water and glycerol may antiplasticize the fast dynamics of lysozyme and trehalose by increasing the total number and/or the strength of the HBs they form in glassy matrices.

Sustainable green pretreatment approach to biomass-to-energy conversion using natural hydro-low-transition-temperature mixtures.

PubMed

Yiin, Chung Loong; Quitain, Armando T; Yusup, Suzana; Uemura, Yoshimitsu; Sasaki, Mitsuru; Kida, Tetsuya

2018-08-01

Natural hydro-low-transition-temperature mixtures (NH-LTTMs) tend to be the most favorable next-generation green solvents for biomass pretreatment, as they are cheap and environmental friendly. The amount of water bound into the NH-LTTMs greatly affected their thermal stability, whereby the highest thermal stability was observed with the water content of 7.6 wt%. It is worth noting that, the highest molar transition energy of NH-LTTMs (47.57 kcal mol -1 ), which indicated the highest solubility, was optimized with the molar ratio of hydrogen bond donor (HBD)-hydrogen bond acceptor (HBA)-water (2:4:3) at a temperature of 60 °C. Hydrogen bonding networks of the NH-LTTMs, which led to the dissolution of biomass, were confirmed by the alteration in the peaks of the involved bonds and resonance signal to lower field through FTIR and 1 H NMR spectra, respectively. The components evidenced in high-resolution mass spectra of extracted lignin showed its high potential to be valorized into useful fuels and chemicals. Copyright © 2018 Elsevier Ltd. All rights reserved.

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

NASA Astrophysics Data System (ADS)

Bagchi, Biman; Roy, Susmita; Ghosh, Rikhia

2014-03-01

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

High-temperature effect of hydrogen on sintered alpha-silicon carbide

NASA Technical Reports Server (NTRS)

Hallum, G. W.; Herbell, T. P.

1986-01-01

Sintered alpha-silicon carbide was exposed to pure, dry hydrogen at high temperatures for times up to 500 hr. Weight loss and corrosion were seen after 50 hr at temperatures as low as 1000 C. Corrosion of SiC by hydrogen produced grain boundary deterioration at 1100 C and a mixture of grain and grain boundary deterioration at 1300 C. Statistically significant strength reductions were seen in samples exposed to hydrogen for times greater than 50 hr and temperatures above 1100 C. Critical fracture origins were identified by fractography as either general grain boundary corrision at 1100 C or as corrosion pits at 1300 C. A maximum strength decrease of approximately 33 percent was seen at 1100 and 1300 C after 500 hr exposure to hydrogen. A computer assisted thermodynamic program was also used to predict possible reaction species of SiC and hydrogen.

Effect of high-temperature hydrogen exposure on sintered alpha-SiC

NASA Technical Reports Server (NTRS)

Hallum, Gary W.; Herbell, Thomas P.

1988-01-01

Sintered alpha-silicon carbide was exposed to pure, dry hydrogen at high temperatures for times up to 500 hr. Weight loss and corrosion were seen after 50 hr at temperatures as low as 1000 C. Corrosion of SiC by hydrogen produced grain boundary deterioration at 1100 C and a mixture of grain and grain boundary deterioration at 1300 C. Statistically significant strength reductions were seen in samples exposed to hydrogen for times greater than 50 hr and temperatures above 1100 C. Critical fracture origins were identified by fractography as either general grain boundary corrosion at 1100 C or as corrosion pits at 1300 C. A maximum strength decrease of approximately 33 percent was seen at 1100 and 1300 C after 500 hr exposure to hydrogen. A computer assisted thermodynamic program was also used to predict possible reaction species of SiC and hydrogen.

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

PubMed

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

2010-02-01

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

New porous water ice metastable at atmospheric pressure obtained by emptying a hydrogen-filled ice

PubMed Central

del Rosso, Leonardo; Celli, Milva; Ulivi, Lorenzo

2016-01-01

The properties of some forms of water ice reserve still intriguing surprises. Besides the several stable or metastable phases of pure ice, solid mixtures of water with gases are precursors of other ices, as in some cases they may be emptied, leaving a metastable hydrogen-bound water structure. We present here the first characterization of a new form of ice, obtained from the crystalline solid compound of water and molecular hydrogen called C0-structure filled ice. By means of Raman spectroscopy, we measure the hydrogen release at different temperatures and succeed in rapidly removing all the hydrogen molecules, obtaining a new form of ice (ice XVII). Its structure is determined by means of neutron diffraction measurements. Of paramount interest is that the emptied crystal can adsorb again hydrogen and release it repeatedly, showing a temperature-dependent hysteresis. PMID:27819265

One-step catalytic conversion of biomass-derived carbohydrates to liquid fuels

DOEpatents

Sen, Ayusman; Yang, Weiran

2014-03-18

The invention relates to a method for manufacture of hydrocarbon fuels and oxygenated hydrocarbon fuels such as alkyl substituted tetrahydrofurans such as 2,5-dimethyltetrahydrofuran, 2-methyltetrahydrofuran, 5-methylfurfural and mixtures thereof. The method generally entails forming a mixture of reactants that includes carbonaceous material, water, a metal catalyst and an acid reacting that mixture in the presence of hydrogen. The reaction is performed at a temperature and for a time sufficient to produce a furan type hydrocarbon fuel. The process may be adapted to provide continuous manufacture of hydrocarbon fuels such as a furan type fuel.

Development of novel active transport membrande devices

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

Laciak, D.V.

1994-11-01

Air Products has undertaken a research program to fabricate and evaluate gas separation membranes based upon promising ``active-transport`` (AT) materials recently developed in our laboratories. Active Transport materials are ionic polymers and molten salts which undergo reversible interaction or reaction with ammonia and carbon dioxide. The materials are useful for separating these gases from mixtures with hydrogen. Moreover, AT membranes have the unique property of possessing high permeability towards ammnonia and carbon dioxide but low permeability towards hydrogen and can thus be used to permeate these components from a gas stream while retaining hydrogen at high pressure.

Para-hydrogen induced polarization of Si-29 NMR resonances as a potentially useful tool for analytical applications.

PubMed

Ellena, Silvano; Viale, Alessandra; Gobetto, Roberto; Aime, Silvio

2012-08-01

Para-hydrogen-induced polarization effects have been observed in the (29)Si NMR spectra of trimethylsilyl para-hydrogenated molecules. The high signal enhancements and the long T(1) values observed for the (29)Si hyperpolarized resonances point toward the possibility of using (29)Si for hyperpolarization applications. A method for the discrimination of multiple compounds and/or complex mixtures of hydroxylic compounds (such as steroids), consisting of the silylization of alcoholic functionalities with an unsaturated silylalkyl moiety and subsequent reaction with para-H(2), is proposed. Copyright © 2012 John Wiley & Sons, Ltd.

Batch methods for enriching trace impurities in hydrogen gas for their further analysis

DOEpatents

Ahmed, Shabbir; Lee, Sheldon H.D.; Kumar, Romesh; Papdias, Dionissios D.

2014-07-15

Provided herein are batch methods and devices for enriching trace quantities of impurities in gaseous mixtures, such as hydrogen fuel. The methods and devices rely on concentrating impurities using hydrogen transport membranes wherein the time period for concentrating the sample is calculated on the basis of optimized membrane characteristics, comprising its thickness and permeance, with optimization of temperature, and wherein the enrichment of trace impurities is proportional to the pressure ratio P.sub.hi/P.sub.lo and the volume ratio V.sub.1/V.sub.2, with following detection of the impurities using commonly-available detection methods.

5-Nitrosalicylic Acid as a Novel Matrix for In-Source Decay in Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry

PubMed Central

Asakawa, Daiki

2013-01-01

The matrix-assisted laser desorption/ionization in-source decay (MALDI-ISD) of peptides and glycans was studied using an oxidizing chemical, 5-nitrosalicylic acid (5-NSA) as the matrix. The use of 5-NSA for the MALDI-ISD of peptides and glycans promoted fragmentation pathways involving “hydrogen-deficient” radical precursors. Hydrogen abstraction from peptides resulted in the production of a “hydrogen-deficient” peptide radical that contained a radical site on the amide nitrogen in the peptide backbone with subsequent radical-induced cleavage at the Cα–C bonds. Cleavage at the Cα–C bond leads to the production of an a•/x fragment pair and the radical a• ions then undergo further hydrogen abstraction to form a ions after Cα–C bond cleavage. Since the Pro residue does not contain a nitrogen-centered radical site, Cα–C bond cleavage does not occur at this site. Alternatively, the specific cleavage of CO−N bonds leads to a b•/y fragment pair at Xxx−Pro which occurs via hydrogen abstraction from the Cα−H in the Pro residue. In contrast, “hydrogen-deficient” glycan radicals were generated by hydrogen abstraction from hydroxyl groups in glycans. Both glycosidic and cross-ring cleavages occurred as the result of the degradation of “hydrogen-deficient” glycan radicals. Cross-ring cleavage ions are potentially useful in linkage analysis, one of the most critical steps in the characterization of glycans. Moreover, isobaric glycans could be distinguished by structure specific ISD ions, and the molar ratio of glycan isomers in a mixture can be estimated from their fragment ions abundance ratios. MALDI-ISD with 5-NSA could be a useful method for the sequencing of peptides including the location of post-translational modifications, identification and semi-quantitative analysis of mixtures of glycan isomers. PMID:24860709

40 CFR 86.1214-85 - Analytical gases.

Code of Federal Regulations, 2012 CFR

2012-07-01

... hydrogen with the balance being helium. The mixture shall contain less than 1 ppm equivalent carbon... air” includes artificial “air” consisting of a blend of nitrogen and oxygen with oxygen concentrations...

40 CFR 86.1214-85 - Analytical gases.

Code of Federal Regulations, 2013 CFR

2013-07-01

... hydrogen with the balance being helium. The mixture shall contain less than 1 ppm equivalent carbon... air” includes artificial “air” consisting of a blend of nitrogen and oxygen with oxygen concentrations...

40 CFR 86.1214-85 - Analytical gases.

Code of Federal Regulations, 2010 CFR

2010-07-01

... hydrogen with the balance being helium. The mixture shall contain less than 1 ppm equivalent carbon... air” includes artificial “air” consisting of a blend of nitrogen and oxygen with oxygen concentrations...

40 CFR 86.1214-85 - Analytical gases.

Code of Federal Regulations, 2011 CFR

2011-07-01

... hydrogen with the balance being helium. The mixture shall contain less than 1 ppm equivalent carbon... air” includes artificial “air” consisting of a blend of nitrogen and oxygen with oxygen concentrations...

Investment in hydrogen tri-generation for wastewater treatment plants under uncertainties

NASA Astrophysics Data System (ADS)

Gharieh, Kaveh; Jafari, Mohsen A.; Guo, Qizhong

2015-11-01

In this article, we present a compound real option model for investment in hydrogen tri-generation and onsite hydrogen dispensing systems for a wastewater treatment plant under price and market uncertainties. The ultimate objective is to determine optimal timing and investment thresholds to exercise initial and subsequent options such that the total savings are maximized. Initial option includes investment in a 1.4 (MW) Molten Carbonate Fuel Cell (MCFC) fed by mixture of waste biogas from anaerobic digestion and natural gas, along with auxiliary equipment. Produced hydrogen in MCFC via internal reforming, is recovered from the exhaust gas stream using Pressure Swing Adsorption (PSA) purification technology. Therefore the expansion option includes investment in hydrogen compression, storage and dispensing (CSD) systems which creates additional revenue by selling hydrogen onsite in retail price. This work extends current state of investment modeling within the context of hydrogen tri-generation by considering: (i) Modular investment plan for hydrogen tri-generation and dispensing systems, (ii) Multiple sources of uncertainties along with more realistic probability distributions, (iii) Optimal operation of hydrogen tri-generation is considered, which results in realistic saving estimation.

Advanced Thermally Stable Coal-Based Jet Fuels

DTIC Science & Technology

2008-02-01

of hydrotreated refined chemical oil derived jet fuels in the pyrolytic regime. Preprints of Papers-American Chemical Society Division of Fuel...hydrogenation of a mixture of light cycle oil and refined chemical oil met or exceeded all but four JP-8 specifications. The fuel has excellent low-temperature...mixture of light cycle oil and refined chemical oil met or exceeded all but four JP-8 specifications. The fuel has excellent low-temperature viscosity

Process for the synthesis of iron powder

DOEpatents

Welbon, W.W.

1983-11-08

A process for preparing iron powder suitable for use in preparing the iron-potassium perchlorate heat-powder fuel mixture used in thermal batteries, comprises preparing a homogeneous, dense iron oxide hydroxide precipitate by homogeneous precipitation from an aqueous mixture of a ferric salt, formic or sulfuric acid, ammonium hydroxide and urea as precipitating agent; and then reducing the dense iron oxide hydroxide by treatment with hydrogen to prepare the iron powder. 2 figs.

40 CFR 91.329 - Catalyst thermal stress test.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Water Vapor 10 Sulfur Dioxide 20 Oxides of Nitrogen 280 Hydrogen 3500 Hydrocarbon 1,2 4000 Nitrogen=Balance 1 Alternatively, the carbon monoxide and hydrocarbon proportions of the mixture may be changed to...

40 CFR 91.329 - Catalyst thermal stress test.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Water Vapor 10 Sulfur Dioxide 20 Oxides of Nitrogen 280 Hydrogen 3500 Hydrocarbon 1,2 4000 Nitrogen=Balance 1 Alternatively, the carbon monoxide and hydrocarbon proportions of the mixture may be changed to...

Thermodynamic Cycle and CFD Analyses for Hydrogen Fueled Air-breathing Pulse Detonation Engines

NASA Technical Reports Server (NTRS)

Povinelli, Louis A.; Yungster, Shaye

2002-01-01

This paper presents the results of a thermodynamic cycle analysis of a pulse detonation engine (PDE) using a hydrogen-air mixture at static conditions. The cycle performance results, namely the specific thrust, fuel consumption and impulse are compared to a single cycle CFD analysis for a detonation tube which considers finite rate chemistry. The differences in the impulse values were indicative of the additional performance potential attainable in a PDE.

Axisymmetric single shear element combustion instability experiment

NASA Technical Reports Server (NTRS)

Breisacher, Kevin J.

1993-01-01

The combustion stability characteristics of a combustor consisting of a single shear element and a cylindrical chamber utilizing LOX and gaseous hydrogen as propellants are presented. The combustor geometry and the resulting longitudinal mode instability are axisymmetric. Hydrogen injection temperature and pyrotechnic pulsing were used to determine stability boundaries. Mixture ratio, fuel annulus gap, and LOX post configuration were varied. Performance and stability data were obtained for chamber pressures of 300 and 1000 psia.

Axisymmetric single shear element combustion instability experiment

NASA Technical Reports Server (NTRS)

Breisacher, Kevin J.

1993-01-01

The combustion stability characteristics of a combustor consisting of a single shear element and a cylindrical chamber utilizing LOX and gaseous hydrogen as propellants are presented. The combustor geometry and the resulting longitudinal mode instability are axisymmetric. Hydrogen injection temperature and pyrotechnic pulsing were used to determine stability boundaries. Mixture ratio, fuel annulus gap, and LOX post configuration were varied. Performance and stability data are presented for chamber pressures of 300 and 1000 psia.

Catalytic combustion of hydrogen-air mixtures in stagnation flows

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

Ikeda, H.; Libby, P.A.; Williams, F.A.

1993-04-01

The interaction between heterogeneous and homogeneous reactions arising when a mixture of hydrogen and air impinges on a platinum plate at elevated temperature is studied. A reasonably complete description of the kinetic mechanism for homogeneous reactions is employed along with a simplified model for heterogeneous reactions. Four regimes are identified depending on the temperature of the plate, on the rate of strain imposed on the flow adjacent to the plate and on the composition and temperature of the reactant stream: (1) surface reaction alone; (2) surface reaction inhibiting homogeneous reaction; (3) homogeneous reaction inhibiting surface reaction; and (4) homogeneous reactionmore » alone. These regimes are related to those found earlier for other chemical systems and form the basis of future experimental investigation of the chemical system considered in the present study.« less

The dynamic behavior of a liquid ethanol-water mixture: a perspective from quantum chemical topology.

PubMed

Mejía, Sol M; Mills, Matthew J L; Shaik, Majeed S; Mondragon, Fanor; Popelier, Paul L A

2011-05-07

Quantum Chemical Topology (QCT) is used to reveal the dynamics of atom-atom interactions in a liquid. A molecular dynamics simulation was carried out on an ethanol-water liquid mixture at its azeotropic concentration (X(ethanol)=0.899), using high-rank multipolar electrostatics. A thousand (ethanol)(9)-water heterodecamers, respecting the water-ethanol ratio of the azeotropic mixture, were extracted from the simulation. Ab initio electron densities were computed at the B3LYP/6-31+G(d) level for these molecular clusters. A video shows the dynamical behavior of a pattern of bond critical points and atomic interaction lines, fluctuating over 1 ns. A bond critical point distribution revealed the fluctuating behavior of water and ethanol molecules in terms of O-H···O, C-H···O and H···H interactions. Interestingly, the water molecule formed one to six C-H···O and one to four O-H···O interactions as a proton acceptor. We found that the more localized a dynamical bond critical point distribution, the higher the average electron density at its bond critical points. The formation of multiple C-H···O interactions affected the shape of the oxygen basin of the water molecule, which is shown in three dimensions. The hydrogen atoms of water strongly preferred to form H···H interactions with ethanol's alkyl hydrogen atoms over its hydroxyl hydrogen. This journal is © the Owner Societies 2011

Oxygen-free atomic layer deposition of indium sulfide

DOEpatents

Martinson, Alex B.; Hock, Adam S.; McCarthy, Robert; Weimer, Matthew S.

2016-07-05

A method for synthesizing an In(III) N,N'-diisopropylacetamidinate precursor including cooling a mixture comprised of diisopropylcarbodiimide and diethyl ether to approximately -30.degree. C., adding methyllithium drop-wise into the mixture, allowing the mixture to warm to room temperature, adding indium(III) chloride as a solid to the mixture to produce a white solid, dissolving the white solid in pentane to form a clear and colorless solution, filtering the mixture over a celite plug, and evaporating the solution under reduced pressure to obtain a solid In(III) N,N'-diisopropylacetamidinate precursor. This precursor has been further used to develop a novel atomic layer deposition technique for indium sulfide by dosing a reactor with the precursor, purging with nitrogen, dosing with dilute hydrogen sulfide, purging again with nitrogen, and repeating these steps to increase growth.

Start up system for hydrogen generator used with an internal combustion engine

NASA Technical Reports Server (NTRS)

Houseman, J.; Cerini, D. J. (Inventor)

1977-01-01

A hydrogen generator provides hydrogen rich product gases which are mixed with the fuel being supplied to an internal combustion engine for the purpose of enabling a very lean mixture of that fuel to be used, whereby nitrous oxides emitted by the engine are minimized. The hydrogen generator contains a catalyst which must be heated to a pre-determined temperature before it can react properly. To simplify the process of heating up the catalyst at start-up time, either some of the energy produced by the engine such as engine exhaust gas, or electrical energy produced by the engine, or the engine exhaust gas may be used to heat up air which is then used to heat the catalyst.

Mitigation of Hydrogen Gas Generation from the Reaction of Uranium Metal with Water in K Basin Sludge and Sludge Waste Forms

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

Sinkov, Sergey I.; Delegard, Calvin H.; Schmidt, Andrew J.

2011-06-08

Prior laboratory testing identified sodium nitrate and nitrite to be the most promising agents to minimize hydrogen generation from uranium metal aqueous corrosion in Hanford Site K Basin sludge. Of the two, nitrate was determined to be better because of higher chemical capacity, lower toxicity, more reliable efficacy, and fewer side reactions than nitrite. The present lab tests were run to determine if nitrate’s beneficial effects to lower H2 generation in simulated and genuine sludge continued for simulated sludge mixed with agents to immobilize water to help meet the Waste Isolation Pilot Plant (WIPP) waste acceptance drainable liquid criterion. Testsmore » were run at ~60°C, 80°C, and 95°C using near spherical high-purity uranium metal beads and simulated sludge to emulate uranium-rich KW containerized sludge currently residing in engineered containers KW-210 and KW-220. Immobilization agents tested were Portland cement (PC), a commercial blend of PC with sepiolite clay (Aquaset II H), granulated sepiolite clay (Aquaset II G), and sepiolite clay powder (Aquaset II). In all cases except tests with Aquaset II G, the simulated sludge was mixed intimately with the immobilization agent before testing commenced. For the granulated Aquaset II G clay was added to the top of the settled sludge/solution mixture according to manufacturer application directions. The gas volumes and compositions, uranium metal corrosion mass losses, and nitrite, ammonia, and hydroxide concentrations in the interstitial solutions were measured. Uranium metal corrosion rates were compared with rates forecast from the known uranium metal anoxic water corrosion rate law. The ratios of the forecast to the observed rates were calculated to find the corrosion rate attenuation factors. Hydrogen quantities also were measured and compared with quantities expected based on non-attenuated H2 generation at the full forecast anoxic corrosion rate to arrive at H2 attenuation factors. The uranium metal corrosion rates in water alone and in simulated sludge were near or slightly below the metal-in-water rate while nitrate-free sludge/Aquaset II decreased rates by about a factor of 3. Addition of 1 M nitrate to simulated sludge decreased the corrosion rate by a factor of ~5 while 1 M nitrate in sludge/Aquaset II mixtures decreased the corrosion rate by ~2.5 compared with the nitrate-free analogues. Mixtures of simulated sludge with Aquaset II treated with 1 M nitrate had uranium corrosion rates about a factor of 8 to 10 lower than the water-only rate law. Nitrate was found to provide substantial hydrogen mitigation for immobilized simulant sludge waste forms containing Aquaset II or Aquaset II G clay. Hydrogen attenuation factors of 1000 or greater were determined at 60°C for sludge-clay mixtures at 1 M nitrate. Hydrogen mitigation for tests with PC and Aquaset II H (which contains PC) were inconclusive because of suspected failure to overcome induction times and fully enter into anoxic corrosion. Lessening of hydrogen attenuation at ~80°C and ~95°C for simulated sludge and Aquaset II was observed with attenuation factors around 100 to 200 at 1 M nitrate. Valuable additional information has been obtained on the ability of nitrate to attenuate hydrogen gas generation from solution, simulant K Basin sludge, and simulant sludge with immobilization agents. Details on characteristics of the associated reactions were also obtained. The present testing confirms prior work which indicates that nitrate is an effective agent to attenuate hydrogen from uranium metal corrosion in water and simulated K Basin sludge to show that it is also effective in potential candidate solidified K Basin waste forms for WIPP disposal. The hydrogen mitigation afforded by nitrate appears to be sufficient to meet the hydrogen generation limits for shipping various sludge waste streams based on uranium metal concentrations and assumed waste form loadings.« less

ION IRRADIATION OF ETHANE AND WATER MIXTURE ICE AT 15 K: IMPLICATIONS FOR THE SOLAR SYSTEM AND THE ISM

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

Barros, A. L. F. de; Silveira, E. F da; Fulvio, D.

2016-06-20

Solid water has been observed on the surface of many different astronomical objects and is the dominant ice present in the universe, from the solar system (detected on the surface of some asteroids, planets and their satellites, trans-Neptunian objects [TNOs], comets, etc.) to dense cold interstellar clouds (where interstellar dust grains are covered with water-rich ices). Ethane has been detected across the solar system, from the atmosphere of the giant planets and the surface of Saturn’s satellite Titan to various comets and TNOs. To date, there were no experiments focused on icy mixtures of C{sub 2}H{sub 6} and H{sub 2}Omore » exposed to ion irradiation simulating cosmic rays, a case study for many astronomical environments in which C{sub 2}H{sub 6} has been detected. In this work, the radiolysis of a C{sub 2}H{sub 6}:H{sub 2}O (2:3) ice mixture bombarded by a 40 MeV{sup 58}Ni{sup 11+} ion beam is studied. The chemical evolution of the molecular species existing in the sample is monitored by a Fourier transform infrared spectrometer. The analysis of ethane, water, and molecular products in solid phase was performed. Induced chemical reactions in C{sub 2}H{sub 6}:H{sub 2}O ice produce 13 daughter molecular species. Their formation and dissociation cross sections are determined. Furthermore, atomic carbon, oxygen, and hydrogen budgets are determined and used to verify the stoichiometry of the most abundantly formed molecular species. The results are discussed in the view of solar system and interstellar medium chemistry. The study presented here should be regarded as a first step in laboratory works dedicated to simulate the effect of cosmic radiation on multicomponent mixtures involving C{sub 2}H{sub 6} and H{sub 2}O.« less

Understanding the Phase Behavior of Tetrahydrofuran + Carbon Dioxide, + Methane, and + Water Binary Mixtures from the SAFT-VR Approach.

PubMed

Míguez, J M; Piñeiro, M M; Algaba, J; Mendiboure, B; Torré, J P; Blas, F J

2015-11-05

The high-pressure phase diagrams of the tetrahydrofuran(1) + carbon dioxide(2), + methane(2), and + water(2) mixtures are examined using the SAFT-VR approach. Carbon dioxide molecule is modeled as two spherical segments tangentially bonded, water is modeled as a spherical segment with four associating sites to represent the hydrogen bonding, methane is represented as an isolated sphere, and tetrahydrofuran is represented as a chain of m tangentially bonded spherical segments. Dispersive interactions are modeled using the square-well intermolecular potential. In addition, two different molecular model mixtures are developed to take into account the subtle balance between water-tetrahydrofuran hydrogen-bonding interactions. The polar and quadrupolar interactions present in water, tetrahydrofuran, and carbon dioxide are treated in an effective way via square-well potentials of variable range. The optimized intermolecular parameters are taken from the works of Giner et al. (Fluid Phase Equil. 2007, 255, 200), Galindo and Blas (J. Phys. Chem. B 2002, 106, 4503), Patel et al. (Ind. Eng. Chem. Res. 2003, 42, 3809), and Clark et al. (Mol. Phys. 2006, 104, 3561) for tetrahydrofuran, carbon dioxide, methane, and water, respectively. The phase diagrams of the binary mixtures exhibit different types of phase behavior according to the classification of van Konynenburg and Scott, ranging from types I, III, and VI phase behavior for the tetrahydrofuran(1) + carbon dioxide(2), + methane(2), and + water(2) binary mixtures, respectively. This last type is characterized by the presence of a Bancroft point, positive azeotropy, and the so-called closed-loop curves that represent regions of liquid-liquid immiscibility in the phase diagram. The system exhibits lower critical solution temperatures (LCSTs), which denote the lower limit of immiscibility together with upper critical solution temperatures (UCSTs). This behavior is explained in terms of competition between the incompatibility with the alkyl parts of the tetrahydrofuran ring chain and the hydrogen bonding between water and the ether group. A minimum number of unlike interaction parameters are fitted to give the optimal representation of the most representative features of the binary phase diagrams. In the particular case of tetrahydrofuran(1) + water(2), two sets of intermolecular potential model parameters are proposed to describe accurately either the hypercritical point associated with the closed-loop liquid-liquid immiscibility region or the location of the mixture lower- and upper-critical end-points. The theory is not only able to predict the type of phase behavior of each mixture, but also provides a reasonably good description of the global phase behavior whenever experimental data are available.

Efficiency and impacts of hythane (CH4+H2) underground storage

NASA Astrophysics Data System (ADS)

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

2016-04-01

The foreseen increase share of renewable energy production requires energy storage to mitigate shortage periods of energy supply. Hydrogen is an efficient energy carrier that can be transported and storage. A very promising way to store large amounts of hydrogen is underground geological reservoirs. Hydrogen can be stored, among other options, as a mixture of natural gas and less than 20% of hydrogen (hythane) to avoid damages on the existing infrastructure for gas transport. This technology is known as power-to-gas and is being considered by a number of European countries (Simon et al., 2015). In this study, the feasibility of a deep aquifer to store CH4-H2 mixtures in the Lower Triassic of the Paris Basin is numerically analyzed. The solubility of gas mixture in the groundwater is extremely low (Panfilov, 2015) and, therefore, gas and water are considered immiscible and non-reactive. An immiscible multiphase flow model is developed using the coefficient-form PDE interface of the finite element method code, COMSOL Multiphysics. The modelled domain is a 2D section of 2500 x 290 m resembling the Lower Triassic aquifer of the Paris basin, consisting of 2 layers of sandstone separated by a layer of conglomerates. The domain dips 0.5% from east to west. The top of the aquifer is 500 m-deep and the lateral boundaries are assumed to be open. This case is considered conservative compared to a dome-like geological trap, which could be more favorable to retain higher gas concentration. A number of cycles of gas production and injection were modelled. An automatic shut-down of the pump is implemented in case pressure on the well exceeds an upper or lower threshold. The influence of the position of the well, the uncertain residual gas saturation and the regional flow are studied. The model shows that both gas and aquifer properties have a significant impact on storage. Due to its low viscosity, the mobility of the hythane is quite high and gas expands significantly, reducing the maximum gas saturation during injection/production cycles. The storage efficiency is hindered by inactivity periods. Furthermore, the gas fate is extremely affected by regional groundwater flow. References Panfilov, M., 2015. Underground and pipeline hydrogen storage, in: Gupta, R., Basile, A., Veziroglu, T.N. (Eds.), Compendium of Hydrogen Energy. Woodhead Publishing, pp. 91-116. Simon, J., Ferriz, A.M., Correas, L.C., 2015. HyUnder - Hydrogen Underground Storage at Large Scale: Case Study Spain. Energy Procedia. 73, 136 - 144.

A systematic investigation and insight into the formation mechanism of bilayers of fatty acid/soap mixtures in aqueous solutions.

PubMed

Xu, Wenlong; Song, Aixin; Dong, Shuli; Chen, Jingfei; Hao, Jingcheng

2013-10-08

Vesicles are the most common form of bilayer structures in fatty acid/soap mixtures in aqueous solutions; however, a peculiar bilayer structure called a "planar sheet" was found for the first time in the mixtures. In the past few decades, considerable research has focused on the formation theory of bilayers in fatty acid/soap mixtures. The hydrogen bond theory has been widely accepted by scientists to explain the formation of bilayers. However, except for the hydrogen bond, no other driving forces were proposed systematically. In this work, three kinds of weak interactions were investigated in detail, which could perfectly demonstrate the formation mechanism of bilayer structures in the fatty acid/soap mixtures in aqueous solutions. (i) The influence of hydrophobic interaction was detected by changing the chain length of fatty acid (C(n)H(2n+1)COOH), in which n = 10 to 18, the phase behavior was investigated, and the phase region was presented. With the help of cryogenic transmission electron microscopy (cryo-TEM) observations, deuterium nuclear magnetic resonance ((2)H NMR), and X-ray diffraction (XRD) measurements, the vesicles and planar sheets were determined. The chain length of C(n)H(2n+1)COOH has an important effect on the physical state of the hydrophobic chain, resulting in an obvious difference in the viscoelasticity of the solution samples. (ii) The existence of hydrogen bonds between fatty acids and their soaps in aqueous solutions was demonstrated by Fourier transform infrared (FT-IR) spectroscopy and molecule dynamical simulation. From the pH measurements, the pH ranges of the bilayer formation were at the pKa values of fatty acids, respectively. (iii) Counterions can be embedded in the stern layer of the bilayers and screen the electrostatic repulsion between the COO(-) anionic headgroups. FT-IR characterization demonstrated a bidentate bridging coordination mode between counterions and carboxylates. The conductivity measurements provided the degree of counterion binding (β = 0.854), indicating the importance of the counterions.

Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Idrissi, Abdenacer; Marekha, Bogdan A.; Barj, Mohammed; Miannay, François Alexandre; Takamuku, Toshiyuki; Raptis, Vasilios; Samios, Jannis; Jedlovszky, Pál

2017-06-01

The information about the structure of dimethyl sulfoxide (DMSO)-water mixtures at relatively low DMSO mole fractions is an important step in order to understand their cryoprotective properties as well as the solvation process of proteins and amino acids. Classical MD simulations, using the potential model combination that best reproduces the free energy of mixing of these compounds, are used to analyze the local structure of DMSO-water mixtures at DMSO mole fractions below 0.2. Significant changes in the local structure of DMSO are observed around the DMSO mole fraction of 0.1. The array of evidence, based on the cluster and the metric and topological parameters of the Voronoi polyhedra distributions, indicates that these changes are associated with the simultaneous increase of the number of DMSO-water and decrease of water-water hydrogen bonds with increasing DMSO concentration. The inversion between the dominance of these two types of H-bonds occurs around XDMSO = 0.1, above which the DMSO-DMSO interactions also start playing an important role. In other words, below the DMSO mole fraction of 0.1, DMSO molecules are mainly solvated by water molecules, while above it, their solvation shell consists of a mixture of water and DMSO. The trigonal, tetrahedral, and trigonal bipyramidal distributions of water shift to lower corresponding order parameter values indicating the loosening of these orientations. Adding DMSO does not affect the hydrogen bonding between a reference water molecule and its first neighbor hydrogen bonded water molecules, while it increases the bent hydrogen bond geometry involving the second ones. The close-packed local structure of the third, fourth, and fifth water neighbors also is reinforced. In accordance with previous theoretical and experimental data, the hydrogen bonding between water and the first, the second, and the third DMSO neighbors is stronger than that with its corresponding water neighbors. At a given DMSO mole fraction, the behavior of the intensity of the high orientational order parameter values indicates that water molecules are more ordered in the vicinity of the hydrophilic group while their structure is close-packed near the hydrophobic group of DMSO.

Hydrogen sulfide production from cysteine and homocysteine by periodontal and oral bacteria.

PubMed

Yoshida, Akihiro; Yoshimura, Mamiko; Ohara, Naoya; Yoshimura, Shigeru; Nagashima, Shiori; Takehara, Tadamichi; Nakayama, Koji

2009-11-01

Hydrogen sulfide is one of the predominant volatile sulfur compounds (VSCs) produced by oral bacteria. This study developed and evaluated a system for detecting hydrogen sulfide production by oral bacteria. L-methionine-alpha-deamino-gamma-mercaptomethane-lyase (METase) and beta carbon-sulfur (beta C-S) lyase were used to degrade homocysteine and cysteine, respectively, to produce hydrogen sulfide. Enzymatic reactions resulting in hydrogen sulfide production were assayed by reaction with bismuth trichloride, which forms a black precipitate when mixed with hydrogen sulfide. The enzymatic activities of various oral bacteria that result in hydrogen sulfide production and the capacity of bacteria from periodontal sites to form hydrogen sulfide in reaction mixtures containing L-cysteine or DL-homocysteine were assayed. With L-cysteine as the substrate, Streptococcus anginosus FW73 produced the most hydrogen sulfide, whereas Porphyromonas gingivalis American Type Culture Collection (ATCC) 33277 and W83 and Fusobacterium nucleatum ATCC 10953 produced approximately 35% of the amount produced by the P. gingivalis strains. Finally, the hydrogen sulfide found in subgingival plaque was analyzed. Using bismuth trichloride, the hydrogen sulfide produced by oral bacteria was visually detectable as a black precipitate. Hydrogen sulfide production by oral bacteria was easily analyzed using bismuth trichloride. However, further innovation is required for practical use.

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

NASA Astrophysics Data System (ADS)

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.

Production of single-walled carbon nanotube grids

DOEpatents

Hauge, Robert H; Xu, Ya-Qiong; Pheasant, Sean

2013-12-03

A method of forming a nanotube grid includes placing a plurality of catalyst nanoparticles on a grid framework, contacting the catalyst nanoparticles with a gas mixture that includes hydrogen and a carbon source in a reaction chamber, forming an activated gas from the gas mixture, heating the grid framework and activated gas, and controlling a growth time to generate a single-wall carbon nanotube array radially about the grid framework. A filter membrane may be produced by this method.

FLUORINATION PROCESS

DOEpatents

McMillan, T.S.

1957-10-29

A process for the fluorination of uranium metal is described. It is known that uranium will react with liquid chlorine trifluoride but the reaction proceeds at a slow rate. However, a mixture of a halogen trifluoride together with hydrogen fluoride reacts with uranium at a significantly faster rate than does a halogen trifluoride alone. Bromine trifluoride is suitable for use in the process, but chlorine trifluoride is preferred. Particularly suitable is a mixture of ClF/sub 3/ and HF having a mole ratio (moles

Catalysts and process for liquid hydrocarbon fuel production

DOEpatents

White, Mark G.; Ranaweera, Samantha A.; Henry, William P.

2016-08-02

The present invention provides a novel process and system in which a mixture of carbon monoxide and hydrogen synthesis gas, or syngas, is converted into hydrocarbon mixtures composed of high quality distillates, gasoline components, and lower molecular weight gaseous olefins in one reactor or step. The invention utilizes a novel supported bimetallic ion complex catalyst for conversion, and provides methods of preparing such novel catalysts and use of the novel catalysts in the process and system of the invention.

Effect of the oxygen balance on ignition and detonation properties of liquid explosive mixtures

NASA Astrophysics Data System (ADS)

Genetier, M.; Osmont, A.; Baudin, G.

2014-05-01

The objective is to compare the ignition and detonation properties of various liquid high explosives having negative up to positive oxygen balance (OB): nitromethane (OB < 0), saccharose and hydrogen peroxide based mixture (quasi nil OB), hydrogen peroxide with more than 90% purity (OB > 0). The decomposition kinetic rates and the equations of state (EOS) for the liquid mixtures and detonation products (DP) are the input data for a detonation model. EOS are theoretically determined using the Woolfolk et al. universal liquid polar shock law and thermochemical computations for DP. The decomposition kinetic rate laws are determined to reproduce the shock to detonation transition for the mixtures submitted to planar plate impacts. Such a model is not sufficient to compute open field explosions. The aerial overpressure is well reproduced in the first few microseconds, however, after it becomes worse at large expansion of the fireball and the impulse is underestimated. The problem of the DP EOS alone is that it takes only the detonation into account, the secondary combustion DP - air is not considered. To solve this problem a secondary combustion model has been developed to take the OB effect into account. The detonation model has been validated on planar plate impact experiments. The secondary combustion parameters were deduced from thermochemical computations. The whole model has been used to predict the effects of the oxygen balance on open air blast effects of spherical charges.

Effect of the oxygen balance on ignition and detonation properties of liquid explosive mixtures

NASA Astrophysics Data System (ADS)

Genetier, Marc; Osmont, Antoine; Baudin, Gerard

2013-06-01

The objective is to compare ignition and detonation properties of various liquid high explosives having negative up to positive oxygen balance (OB): nitromethane (OB < 0), saccharose and hydrogen peroxide based mixture (quasi nil OB), hydrogen peroxide with more than 90% purity (OB > 0). The decomposition kinetic rates and the equations of state (EOS) for the liquid mixtures and detonation products (DP) are the input data for a detonation model. EOS are theoretically determined using the Woolfolk et al universal liquid polar shock law and thermochemical computations for DP. The decomposition kinetic rate laws are determined to reproduce the shock to detonation transition for the mixtures submitted to planar plate impacts. Such a model is not sufficient to compute open field explosions. The aerial overpressure is well reproduced in the first microseconds, however, after it becomes worse at large expansion of the fireball and the impulse is underestimated. The problem of the DP EOS alone is that it takes into account only the detonation, the secondary combustion DP - air being not considered. To solve this problem a secondary combustion model has been developed to take into account the OB effect. The detonation model has been validated on planar plate impact experiments. The secondary combustion parameters were deduced from thermochemical computations. The whole model has been used to predict the effects of the oxygen balance on open air blast effects of spherical charges.

Characterization of Ar/N2/H2 middle-pressure RF discharge and application of the afterglow region for nitridation of GaAs

NASA Astrophysics Data System (ADS)

Raud, J.; Jõgi, I.; Matisen, L.; Navrátil, Z.; Talviste, R.; Trunec, D.; Aarik, J.

2017-12-01

This work characterizes the production and destruction of nitrogen and hydrogen atoms in RF capacitively coupled middle-pressure discharge in argon/nitrogen/hydrogen mixtures. Input power, electron concentration, electric field strength and mean electron energy were determined on the basis of electrical measurements. Gas temperature and concentration of Ar atoms in 1s states were determined from spectral measurements. On the basis of experimentally determined plasma characteristics, main production and loss mechanisms of H and N atoms were discussed. The plasma produced radicals were applied for the nitridation and oxide reduction of gallium arsenide in the afterglow region of discharge. After plasma treatment the GaAs samples were analyzed using x-ray photoelectron spectroscopy (XPS) technique. Successful nitridation of GaAs sample was obtained in the case of Ar/5% N2 discharge. In this gas mixture the N atoms were generated via dissociative recombination of N2+ created by charge transfer from Ar+. The treatment in Ar/5% N2/1% H2 mixture resulted in the reduction of oxide signals in the XPS spectra. Negligible formation of GaN in the latter mixture was connected with reduced concentration of N atoms, which was, in turn, due to less efficient mechanism of N atom production (electron impact dissociation of N2 molecules) and additional loss channel in reaction with H2.

Combustion engine. [for air pollution control

NASA Technical Reports Server (NTRS)

Houseman, J. (Inventor)

1977-01-01

An arrangement for an internal combustion engine is provided in which one or more of the cylinders of the engine are used for generating hydrogen rich gases from hydrocarbon fuels, which gases are then mixed with air and injected into the remaining cylinders to be used as fuel. When heavy load conditions are encountered, hydrocarbon fuel may be mixed with the hydrogen rich gases and air and the mixture is then injected into the remaining cylinders as fuel.

Method for selectively preparing evoglucosenone (LGO) and other anhydrosugars from biomass in polar aprotic solvents

DOEpatents

Huber, George W.; Cao, Fei; Dumesic, James A.; Schwartz, Thomas J.

2016-06-28

A method to produce 5-hydroxymethylfurfural (HMF) is described in which a reactant including cellulose, lignocellulose, or a combination thereof, in a reaction mixture of a polar, aprotic solvent and an acid is reacted for a time, at a temperature, and at a hydrogen ion concentration wherein at least a portion of the cellulose or lignocellulose present in the reactant is converted to HMF. The reaction mixture is initially substantially devoid of water. As the reaction proceeds, dehydration of intermediates causes the water concentration in the reaction mixture to rise to no more than about 2.0 wt % water.

Method for selectively preparing 5-hydroxymethylfurfual (HMF) from biomass in polar aprotic solvents

DOEpatents

Dumesic, James A.; Huber, George W.; Weingarten, Ronen

2016-01-26

A method to produce 5-hydroxymethylfurfural (HMF) is described in which a reactant including cellulose, lignocellulose, or a combination thereof, in a reaction mixture of a polar, aprotic solvent and an acid is reacted for a time, at a temperature, and at a hydrogen ion concentration wherein at least a portion of the cellulose or lignocellulose present in the reactant is converted to HMF. The reaction mixture is initially substantially devoid of water. As the reaction proceeds, dehydration of intermediates causes the water concentration in the reaction mixture to rise to no more than about 0.2 wt % water.

Observation of fast sound in disparate-mass gas mixtures by light scattering

NASA Astrophysics Data System (ADS)

Wegdam, G. H.; Bot, Arjen; Schram, R. P. C.; Schaink, H. M.

1989-12-01

We performed light-scattering experiments on a mixture of hydrogen and argon. By varying the density of the sample, we can probe the range of reduced wave vectors in which Campa and Cohen [Phys. Rev. A 39, 4909 (1989)] predicted, in dilute disparate-mass gas mixtures, the onset of a mode supported by the light particles: the fast sound mode. The presence of the additional sound mode can be established most conveniently by analyzing ω2I(k,ω) rather than I(k,ω). Our results for the shift of fast and slow sound match the theoretical predictions very well.

Spectroscopic studies of the intramolecular hydrogen bonding in o-hydroxy Schiff bases, derived from diaminomaleonitrile, and their deprotonation reaction products

NASA Astrophysics Data System (ADS)

Szady-Chełmieniecka, Anna; Kołodziej, Beata; Morawiak, Maja; Kamieński, Bohdan; Schilf, Wojciech

2018-01-01

The structural study of five Schiff bases derived from diaminomaleonitrile (DAMN) and 2-hydroxy carbonyl compounds was performed using 1H, 13C and 15N NMR methods in solution and in the solid state as well. ATR-FTIR and X-Ray spectroscopies were used for confirmation of the results obtained by NMR method. The imine obtained from DAMN and benzaldehyde was synthesized as a model compound which lacks intramolecular hydrogen bond. Deprotonation of all synthesized compounds was done by treating with tetramethylguanidine (TMG). NMR data revealed that salicylidene Schiff bases in DMSO solution exist as OH forms without intramolecular hydrogen bonds and independent on the substituents in aromatic ring. In the case of 2-hydroxy naphthyl derivative, the OH proton is engaged into weak intramolecular hydrogen bond. Two of imines (salDAMN and 5-BrsalDAMN) exist in DMSO solution as equilibrium mixtures of two isomers (A and B). The structures of equilibrium mixture in the solid state have been studied by NMR, ATR-FTIR and X-Ray methods. The deprotonation of three studied compounds (salDAMN, 5-BrsalDAMN, and 5-CH3salDAMN) proceeded in two different ways: deprotonation of oxygen atom (X form) or of nitrogen atom of free primary amine group of DAMN moiety (Y form). For 5-NO2salDAMN and naphDAMN only one form (X) was observed.

Process and apparatus for coal hydrogenation

DOEpatents

Ruether, John A.; Simpson, Theodore B.

1991-01-01

In a coal liquefaction process an aqueous slurry of coal is prepared containing a dissolved liquefaction catalyst. A small quantity of oil is added to the slurry and then coal-oil agglomerates are prepared by agitation of the slurry at atmospheric pressure. The resulting mixture is drained of excess water and dried at atmospheric pressure leaving catalyst deposited on the agglomerates. The agglomerates then are fed to an extrusion device where they are formed into a continuous ribbon of extrudate and fed into a hydrogenation reactor at elevated pressure and temperature. The catalytic hydrogenation converts the extrudate primarily to liquid hydrocarbons in the reactor. The liquid drained in recovering the agglomerates is recycled.

Hydrogen-rich gas generator

NASA Technical Reports Server (NTRS)

Houseman, J.; Cerini, D. J. (Inventor)

1976-01-01

A process and apparatus are described for producing hydrogen-rich product gases. A spray of liquid hydrocarbon is mixed with a stream of air in a startup procedure and the mixture is ignited for partial oxidation. The stream of air is then heated by the resulting combustion to reach a temperature such that a signal is produced. The signal triggers a two way valve which directs liquid hydrocarbon from a spraying mechanism to a vaporizing mechanism with which a vaporized hydrocarbon is formed. The vaporized hydrocarbon is subsequently mixed with the heated air in the combustion chamber where partial oxidation takes place and hydrogen-rich product gases are produced.

Container for hydrogen isotopes

DOEpatents

Solomon, David E.

1977-01-01

A container for the storage, shipping and dispensing of hydrogen isotopes such as hydrogen, deuterium, tritium, or mixtures of the same which has compactness, which is safe against fracture or accident, and which is reusable. The container consists of an outer housing with suitable inlet and outlet openings and electrical feed elements, the housing containing an activated sorber material in the form, for example, of titanium sponge or an activated zirconium aluminate cartridge. The gas to be stored is introduced into the chamber under conditions of heat and vacuum and will be retained in the sorber material. Subsequently, it may be released by heating the unit to drive off the stored gas at desired rates.