Hydrogen Permeability of Incoloy 800H, Inconel 617, and Haynes 230 Alloys

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

Pattrick Calderoni

A potential issue in the design of the NGNP reactor and high-temperature components is the permeation of fission generated tritium and hydrogen product from downstream hydrogen generation through high-temperature components. Such permeation can result in the loss of fission-generated tritium to the environment and the potential contamination of the helium coolant by permeation of product hydrogen into the coolant system. The issue will be addressed in the engineering design phase, and requires knowledge of permeation characteristics of the candidate alloys. Of three potential candidates for high-temperature components of the NGNP reactor design, the hydrogen permeability has been documented well onlymore » for Incoloy 800H, but at relatively high partial pressures of hydrogen. Hydrogen permeability data have been published for Inconel 617, but only in two literature reports and for partial pressures of hydrogen greater than one atmosphere, far higher than anticipated in the NGNP reactor. The hydrogen permeability of Haynes 230 has not been published. To support engineering design of the NGNP reactor components, the hydrogen permeability of Inconel 617 and Haynes 230 were determined using a measurement system designed and fabricated at the Idaho National Laboratory. The performance of the system was validated using Incoloy 800H as reference material, for which the permeability has been published in several journal articles. The permeability of Incoloy 800H, Inconel 617 and Haynes 230 was measured in the temperature range 650 to 950 °C and at hydrogen partial pressures of 10-3 and 10-2 atm, substantially lower pressures than used in the published reports. The measured hydrogen permeability of Incoloy 800H and Inconel 617 were in good agreement with published values obtained at higher partial pressures of hydrogen. The hydrogen permeability of Inconel 617 and Haynes 230 were similar, about 50% greater than for Incoloy 800H and with similar temperature dependence.« less

Risks incurred by hydrogen escaping from containers and conduits

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

Swain, M.R.; Grilliot, E.S.

1998-08-01

This paper is a discussion of a method for hydrogen leak classification. Leaks are classified as; gas escapes into enclosed spaces, gas escapes into partially enclosed spaces (vented), and gas escapes into unenclosed spaces. Each of the three enclosure classifications is further divided into two subclasses; total volume of hydrogen escaped and flow rate of escaping hydrogen. A method to aid in risk assessment determination in partially enclosed spaces is proposed and verified for several enclosure geometries. Examples are discussed for additional enclosure geometries.

Dynamic conductivity and partial ionization in dense fluid hydrogen

NASA Astrophysics Data System (ADS)

Zaghoo, Mohamed

2018-04-01

A theoretical description for optical conduction experiments in dense fluid hydrogen is presented. Different quantum statistical approaches are used to describe the mechanism of electronic transport in hydrogen's high-temperature dense phase. We show that at the onset of the metallic transition, optical conduction could be described by a strong rise in atomic polarizability, due to increased ionization, whereas in the highly degenerate limit, the Ziman weak scattering model better accounts for the observed saturation of reflectance. The inclusion of effects of partial ionization in the highly degenerate region provides great agreement with experimental results. Hydrogen's fluid metallic state is revealed to be a partially ionized free-electron plasma. Our results provide some of the first theoretical transport models that are experimentally benchmarked, as well as an important guide for future studies.

Experimental study of catalytic hydrogenation by using an in-situ hydrogen measuring technique. Final report

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

Chiang, S.H.; Klinzing, G.E.; Cheng, Y.S.

1984-12-01

An in-situ technique for measuring hydrogen concentration (partial pressure) had been previously used to measure static properties (hydrogen solubilities, vapor pressures of hydrocarbons, etc.). Because of its good precision (2% relative error) and relatively short respond time (9.7 to 2.0 seconds at 589 to 728K), the technique was successfully applied to a dynamic study of hydrogenation reactions in this work. Furthermore, the technique is to be tested for industrial uses. Hydrogen/1-methylnaphthalene system was experimentally investigated in a one-liter autoclave equipped with a magnetically driven stirrer and temperature controlling devices. Catalytic hydrogenation of 1-methylnaphthalene was studied in the presence of sulfidedmore » Co-Mo-Al2O3 catalyst. In addition, the vapor/liquid equilibrium relationship was determined by using this technique. Hydrogenation reaction runs were performed at temperatures of 644.1, 658.0 and 672.0K and pressures up to 9.0 MPa. The ring hydrogenation, resulting in 1- and 5-methyltetralin, was found to be the dominant reaction. This is in agreement with cited literature. Effects of hydrogen partial pressure, operating temperature, as well as presulfided catalyst are also investigated and discussed in this work. The vapor pressure of 1-methylnaphthalene was measured over a temperature range of 555.2 to 672.0K. The results are in good agreement with literature data. Measurements for hydrogen solubility in 1-methylnaphthalene were conducted over temperature and pressure range of 598 to 670K and 5.2 to 8.8 MPa, respectively. Similar to previously reported results, the hydrogen solubility increases with increasing temperature when total pressure is held constant. A linear relation is found between the hydrogen solubility and hydrogen partial pressure. 21 refs., 13 figs., 10 tabs.« less

The measurement of the stacking fault energy in copper, nickel and copper-nickel alloys

NASA Technical Reports Server (NTRS)

Leighly, H. P., Jr.

1982-01-01

The relationship of hydrogen solubility and the hydrogen embrittlement of high strength, high performance face centered cubic alloys to the stacking fault energy of the alloys was investigated. The stacking fault energy is inversely related to the distance between the two partial dislocations which are formed by the dissociation of a perfect dislocation. The two partial dislocations define a stacking fault in the crystal which offers a region for hydrogen segregation. The distance between the partial dislocations is measured by weak beam, dark field transmission electron microscopy. The stacking fault energy is calculated. Pure copper, pure nickel and copper-nickel single crystals are used to determine the stacking fault energy.

Pore architecture of nanoporous gold and titania by hydrogen thermoporometry

DOE PAGES

Johnston, L. T.; Biener, M. M.; Ye, J. C.; ...

2015-07-10

Nanoporous gold (NPG) and materials derived from it by templating have complex pore architecture that determines their technologically relevant physical properties. Here, we apply high-resolution hydrogen thermoporometry to study the pore structure of NPG and NPG-derived titania nanofoam (TNF). Results reveal complex multimodal pore size distributions for NPG and TNF. The freezing–melting hysteresis is pronounced, with freezing and melting scans having entirely different shapes. Experiments involving partial freeze–melt cycles reveal the lack of direct correlation between individual freezing and melting peaks, pointing to phenomena that are beyond the Gibbs-Thomson formalism. The depression of the average freezing temperature scales linearly withmore » the ratio of the internal surface area (measured by gas sorption) and the total pore volume derived from the density of monoliths. In conclusion, thermoporometry yields total pore volumes in good agreement with those derived from monolith densities for both NPG and TNF.« less

Pore architecture of nanoporous gold and titania by hydrogen thermoporometry

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

Johnston, L. T.; Biener, M. M.; Ye, J. C.

Nanoporous gold (NPG) and materials derived from it by templating have complex pore architecture that determines their technologically relevant physical properties. Here, we apply high-resolution hydrogen thermoporometry to study the pore structure of NPG and NPG-derived titania nanofoam (TNF). Results reveal complex multimodal pore size distributions for NPG and TNF. The freezing–melting hysteresis is pronounced, with freezing and melting scans having entirely different shapes. Experiments involving partial freeze–melt cycles reveal the lack of direct correlation between individual freezing and melting peaks, pointing to phenomena that are beyond the Gibbs-Thomson formalism. The depression of the average freezing temperature scales linearly withmore » the ratio of the internal surface area (measured by gas sorption) and the total pore volume derived from the density of monoliths. In conclusion, thermoporometry yields total pore volumes in good agreement with those derived from monolith densities for both NPG and TNF.« less

Dynamic Conductivity and Partial Ionization in Warm, Dense Hydrogen

NASA Astrophysics Data System (ADS)

Zaghoo, M.; Silvera, I. F.

2017-10-01

A theoretical description for optical conduction experiments in dense fluid hydrogen is presented. Different quantum statistical approaches are used to describe the mechanism of electron transport in hydrogen's high-temperature dense phase. We show that at the onset of the metallic transition, optical conduction could be described by a strong rise in the atomic polarizability, resulting from increased ionization; whereas in the highly degenerate limit, the Ziman weak-scattering model better describes the observed saturation of reflectance. In the highly degenerate region, the inclusion of partial ionization effects provides excellent agreement with experimental results. Hydrogen's fluid metallic state is revealed to be a partially ionized free-electron plasma. These results provide a crucial benchmark for ab initio calculations as well as an important guide for future experiments. Research supported by DOE Stockpile Stewardship Academic Alliance Program, Grant DE-FG52-10NA29656, and NASA Earth and Space Science Fellowship Program, Award NNX14AP17H.

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

Sun, Pei; Fang, Z. Zak; Koopman, Mark

Hydrogen has been investigated for decades as a temporary alloying element to refine the microstructure of Ti-6Al-4V, and is now being used in a novel powder metallurgy method known as "hydrogen sintering and phase transformation". Pseudo-binary phase diagrams of (Ti-6Al-4V)-xH have been studied and developed, but are not well established due to methodological limitations. In this paper, in situ studies of phase transformations during hydrogenation and dehydrogenation of (Ti-6Al-4V)-xH alloys were conducted using high-energy synchrotron X-ray diffraction (XRD), thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The eutectoid phase transformation of β ↔ α + δ was observed in themore » (Ti-6Al-4V)-xH alloy via in situ synchrotron XRD at 211 °C with a hydrogen concentration of 37.5 at.% (measured using TGA-DSC). The relationships of hydrogen composition to partial pressure and temperature were investigated in the temperature range 450-900°C. Based on these results, a partial pseudo-binary phase diagram of (Ti-6Al-4V)-xH is proposed for hydrogen compositions up to 60 at.% in the temperature range 100-900°C. Using the data collected in real time under controlled parameters of temperature, composition and hydrogen partial pressure, this work characterizes relevant phase transformations and microstructural evolution for practical titanium-hydrogen technologies of Ti-6Al-4V.« less

21 CFR 186.1551 - Hydrogenated fish oil.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Hydrogenated fish oil. 186.1551 Section 186.1551... as GRAS § 186.1551 Hydrogenated fish oil. (a) Hydrogenated fish oil (CAS Reg. No. 91078-95-4) is a class of oils produced by partial hydrogenation of oils expressed from fish, primarily menhaden, and...

The irreversible formation of palladium carbide during hydrogenation of 1-pentyne over silica-supported palladium nanoparticles: in situ Pd K and L3 edge XAS.

PubMed

Tew, Min Wei; Nachtegaal, Maarten; Janousch, Markus; Huthwelker, Thomas; van Bokhoven, Jeroen A

2012-04-28

The catalytically active phase of silica-supported palladium catalysts in the selective and non-selective hydrogenation of 1-pentyne was determined using in situ X-ray absorption spectroscopy at the Pd K and L(3) edges. Upon exposure to alkyne, a palladium carbide-like phase rapidly forms, which prevents hydrogen to diffuse into the bulk of the nano-sized particles. Both selective and non-selective hydrogenation occur over carbided particles. The palladium carbide-like phase is stable under reaction conditions and only partially decomposes under high hydrogen partial pressure. Non-selective hydrogenation to pentane is not indicative of hydride formation. The palladium carbide phase was detected in the EXAFS analysis and the K edge XANES showed representative features. This journal is © the Owner Societies 2012

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.

Protein dynamics as seen by (quasi) elastic neutron scattering.

PubMed

Magazù, S; Mezei, F; Falus, P; Farago, B; Mamontov, E; Russina, M; Migliardo, F

2017-01-01

Elastic and quasielastic neutron scattering studies proved to be efficient probes of the atomic mean square displacement (MSD), a fundamental parameter for the characterization of the motion of individual atoms in proteins and its evolution with temperature and compositional environment. We present a technical overview of the different types of experimental situations and the information quasi-elastic neutron scattering approaches can make available. In particular, MSD can crucially depend on the time scale over which the averaging (building of the "mean") takes place, being defined by the instrumental resolution. Due to their high neutron scattering cross section, hydrogen atoms can be particularly sensitively observed with little interference by the other atoms in the sample. A few examples, including new data, are presented for illustration. The incoherent character of neutron scattering on hydrogen atoms restricts the information obtained to the self-correlations in the motion of individual atoms, simplifying at the same time the data analysis. On the other hand, the (often overlooked) exploration of the averaging time dependent character of MSD is crucial for unambiguous interpretation and can provide a wealth of information on micro- and nanoscale atomic motion in proteins. By properly exploiting the broad range capabilities of (quasi)elastic neutron scattering techniques to deliver time dependent characterization of atomic displacements, they offer a sensitive, direct and simple to interpret approach to exploration of the functional activity of hydrogen atoms in proteins. Partial deuteration can add most valuable selectivity by groups of hydrogen atoms. "This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazù and Dr. Federica Migliardo". Copyright © 2016 Elsevier B.V. All rights reserved.

Methods for enhancing P-type doping in III-V semiconductor films

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

Liu, Feng; Stringfellow, Gerald; Zhu, Junyi

2017-08-01

Methods of doping a semiconductor film are provided. The methods comprise epitaxially growing the III-V semiconductor film in the presence of a dopant, a surfactant capable of acting as an electron reservoir, and hydrogen, under conditions that promote the formation of a III-V semiconductor film doped with the p-type dopant. In some embodiments of the methods, the epitaxial growth of the doped III-V semiconductor film is initiated at a first hydrogen partial pressure which is increased to a second hydrogen partial pressure during the epitaxial growth process.

Dislocation core structures of tungsten with dilute solute hydrogen

NASA Astrophysics Data System (ADS)

Wang, Yinan; Li, Qiulin; Li, Chengliang; Shu, Guogang; Xu, Ben; Liu, Wei

2017-12-01

In this paper, a combination of quantum mechanical and interatomic potential-based atomistic calculations are used to predict the core structures of screw and edge dislocations in tungsten in the presence of a particular concentration of hydrogen atoms. These configurations of the core structures are the results of two competing energies: the interaction between the partial dislocations and the corresponding generalized stacking fault energy in between the two partial dislocations, which are presented in this work. With this, we can precisely predict the configurations of the hydrogen-doped dislocation core structures.

Exchanging partially hydrogenated fat for palmitic acid in the diet increases LDL-cholesterol and endogenous cholesterol synthesis in normocholesterolemic women.

PubMed

Sundram, Kalyana; French, Margaret A; Clandinin, M Thomas

2003-08-01

Partial hydrogenation of oil results in fats containing unusual isomeric fatty acids characterized by cis and trans configurations. Hydrogenated fats containing trans fatty acids increase plasma total cholesterol (TC) and LDL-cholesterol while depressing HDL-cholesterol levels. Identifying the content of trans fatty acids by food labeling is overshadowed by a reluctance of health authorities to label saturates and trans fatty acids separately. Thus, it is pertinent to compare the effects of trans to saturated fatty acids using stable isotope methodology to establish if the mechanism of increase in TC and LDL-cholesterol is due to the increase in the rate of endogenous synthesis of cholesterol. Ten healthy normocholesterolemic female subjects consumed each of two diets containing approximately 30% of energy as fat for a fourweek period. One diet was high in palmitic acid (10.6% of energy) from palm olein and the other diet exchanged 5.6% of energy as partially hydrogenated fat for palmitic acid. This fat blend resulted in monounsaturated fatty acids decreasing by 4.9 % and polyunsaturated fats increasing by 2.7%. The hydrogenated fat diet treatment provided 3.1% of energy as elaidic acid. For each dietary treatment, the fractional synthesis rates for cholesterol were measured using deuterium-labeling procedures and blood samples were obtained for blood lipid and lipoprotein measurements. Subjects exhibited a higher total cholesterol and LDL-cholesterol level when consuming the diet containing trans fatty acids while also depressing the HDL-cholesterol level. Consuming the partially hydrogenated fat diet treatment increased the fractional synthesis rate of free cholesterol. Consumption of hydrogenated fats containing trans fatty acids in comparison to a mixtur e of palmitic and oleic acids increase plasma cholesterol levels apparently by increasing endogenous synthesis of cholesterol.

Ammonia inhibition on hydrogen enriched anaerobic digestion of manure under mesophilic and thermophilic conditions.

PubMed

Wang, Han; Zhang, Yifeng; Angelidaki, Irini

2016-11-15

Capturing of carbon dioxide by hydrogen derived from excess renewable energy (e.g., wind mills) to methane in a microbially catalyzed process offers an attractive technology for biogas production and upgrading. This bioconversion process is catalyzed by hydrogenotrophic methanogens, which are known to be sensitive to ammonia. In this study, the tolerance of the biogas process under supply of hydrogen, to ammonia toxicity was studied under mesophilic and thermophilic conditions. When the initial hydrogen partial pressure was 0.5 atm, the methane yield at high ammonia load (7 g NH 4 + -N L -1 ) was 41.0% and 22.3% lower than that at low ammonia load (1 g NH 4 + -N L -1 ) in mesophilic and thermophilic condition, respectively. Meanwhile no significant effect on the biogas composition was observed. Moreover, we found that hydrogentrophic methanogens were more tolerant to the ammonia toxicity than acetoclastic methanogens in the hydrogen enriched biogas production and upgrading processes. The highest methane production yield was achieved under 0.5 atm hydrogen partial pressure in batch reactors at all the tested ammonia levels. Furthermore, the thermophilic methanogens at 0.5 atm of hydrogen partial pressure were more tolerant to high ammonia levels (≥5 g NH 4 + -N L -1 ), compared with mesophilic methanogens. The present study offers insight in developing resistant hydrogen enriched biogas production and upgrading processes treating ammonia-rich waste streams. Copyright © 2016 Elsevier Ltd. All rights reserved.

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.

How LEND sees the water on the Moon

NASA Astrophysics Data System (ADS)

Sanin, Anton; Mitrofanov, Igor; Litvak, Maxim; Boynton, William; Bodnarik, Julia; Hamara, Dave; Harshman, Karl; Chin, Gordon; Evans, Larry; Livengood, Timothy; McClanahan, Timothy; Sagdeev, Roald; Starr, Richard

2016-04-01

The Lunar Exploration Neutron Detector (LEND) is operating on orbit around the Moon on-board the Lunar Reconnaissance Orbiter (LRO) spacecraft more than six years. LEND has been designed and manufactured to investigate presence and determine average amount of hydrogen in upper (~1 m depth) subsurface layer of the Lunar regolith with spatial resolution ~10 km from 50 km orbit and to check the hypothesis what the permanently shadowed regions (PSRs) at circumpolar regions are the main reservoirs of a large deposition of water ice on the Moon. One of most interesting and surprising LEND observations that not all large PSRs contain a detectable amount of hydrogen but there are neutron suppression regions (NSRs) with statistically significant suppression of neutron flux. The NSRs partially overlap or include PSRs in craters Cabeus, Shoemaker, Haworth (on South) and Rozhdestvensky U (on North) but significant part of their area spread out at sunlit territory. This means that hydrogen may be preserved for a long time or even accumulated at a subsurface regolith layer of sunlit areas. The majority of PSRs do not show statistically significant suppressions of neutron flux in comparison with neighbor sunlit vicinity. This implies a hypothesis what a permanent shadow is not only necessary condition for the hydrogen accumulation and preservation in the lunar subsurface. A method of water equivalent hydrogen (WEH) in top ~1 meter regolith estimation using LEND data has been developed. Maps of WEH distribution in North and South polar regions will be presented and discussed. Also, WEH estimation in case of hydrogen bearing regolith layer coverage by a dry regolith will be presented for largest NSRs.

Characteristics of hydrogen produced by partial oxidation and auto-thermal reforming in a small methanol reformer

NASA Astrophysics Data System (ADS)

Horng, Rong-Fang; Chou, Huann-Ming; Lee, Chiou-Hwang; Tsai, Hsien-Te

This paper investigates experimentally, the transient characteristics of a small methanol reformer using partial oxidation (POX) and auto-thermal reforming (ATR) for fuel cell applications. The parameters varied were heating temperature, methanol supply rate, steady mode shifting temperature, O 2/C (O 2/CH 3OH) and S/C (H 2O/CH 3OH) molar ratios with the main aim of promoting a rapid response and a high flow rate of hydrogen. The experiments showed that a high steady mode shifting temperature resulted in a faster temperature rise at the catalyst outlet and vice versa and that a low steady mode shifting temperature resulted in a lower final hydrogen concentration. However, when the mode shifting temperature was too high, the hydrogen production response was not necessarily improved. It was subsequently shown that the optimum steady mode shifting temperature for this experimental set-up was approximately 75 °C. Further, the hydrogen concentration produced by the auto-thermal process was as high as 49.12% and the volume flow rate up to 23.0 L min -1 compared to 40.0% and 20.5 L min -1 produced by partial oxidation.

Hydrogen generation in CSP plants and maintenance of DPO/BP heat transfer fluids - A simulation approach

NASA Astrophysics Data System (ADS)

Kuckelkorn, Thomas; Jung, Christian; Gnädig, Tim; Lang, Christoph; Schall, Christina

2016-05-01

The ageing of diphenyl oxide/ biphenyl (DPO/BP) Heat Transfer Fluids (HTFs) implies challenging tasks for operators of parabolic trough power plants in order to find the economic optimum between plant performance and O&M costs. Focusing on the generation of hydrogen, which is effecting from the HTF ageing process, the balance of hydrogen pressure in the HTF is simulated for different operation scenarios. Accelerated build-up of hydrogen pressure in the HTF is causing increased permeation into the annular vacuum space of the installed receivers and must be avoided in order to maintain the performance of these components. Therefore, the effective hydrogen partial pressure in the HTF has to be controlled and limited according to the specified values so that the vacuum lifetime of the receivers and the overall plant performance can be ensured. In order to simulate and visualize the hydrogen balance of a typical parabolic trough plant, initially a simple model is used to calculate the balance of hydrogen in the system and this is described. As input data for the simulation, extrapolated hydrogen generation rates have been used, which were calculated from results of lab tests performed by DLR in Cologne, Germany. Hourly weather data, surface temperatures of the tubing system calculated by using the simulation tool from NREL, and hydrogen permeation rates for stainless steel and carbon steel grades taken from literature have been added to the model. In a first step the effect of HTF ageing, build-up of hydrogen pressure in the HTF and hydrogen loss rates through piping and receiver components have been modeled. In a second step a selective hydrogen removal process has been added to the model. The simulation results are confirming the need of active monitoring and controlling the effective hydrogen partial pressure in parabolic trough solar thermal power plants with DPO/BP HTF. Following the results of the simulation, the expected plant performance can only be achieved over lifetime, if the hydrogen partial pressure is actively controlled and limited.

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

PubMed

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

2017-01-01

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

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

PubMed Central

Nualsri, Chatchawin; Kongjan, Prawit; Imai, Tsuyoshi

2017-01-01

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

The Use of Spontaneous Raman Scattering for Hydrogen Leak Detection

NASA Technical Reports Server (NTRS)

Degroot, Wim A.

1994-01-01

A fiber optic probe has been built and demonstrated that utilizes back scattered spontaneous Raman spectroscopy to detect and identify gaseous species. The small probe, coupled to the laser and data acquisition equipment with optical fibers, has applications in gaseous leak detection and process monitoring. The probe design and data acquisition system are described. Raman scattering theory has been reviewed and the results of intensity calculations of hydrogen and nitrogen Raman scattering are given. Because the device is in its developmental stage, only preliminary experimental results are presented here. Intensity scans across the rotational-vibrational Raman lines of nitrogen and hydrogen are presented. Nitrogen at a partial pressure of 0.077 MPa was detected. Hydrogen at a partial pressure of 2 kPa approached the lower limit of detectability with the present apparatus. Potential instrument improvements that would allow more sensitive and rapid hydrogen detection are identified.

Hydrogen energy systems studies. Final technical report

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

Ogden, J.M.; Kreutz, T.; Kartha, S.

1996-08-13

The results of previous studies suggest that the use of hydrogen from natural gas might be an important first step toward a hydrogen economy based on renewables. Because of infrastructure considerations (the difficulty and cost of storing, transmitting and distributing hydrogen), hydrogen produced from natural gas at the end-user`s site could be a key feature in the early development of hydrogen energy systems. In the first chapter of this report, the authors assess the technical and economic prospects for small scale technologies for producing hydrogen from natural gas (steam reformers, autothermal reformers and partial oxidation systems), addressing the following questions:more » (1) What are the performance, cost and emissions of small scale steam reformer technology now on the market? How does this compare to partial oxidation and autothermal systems? (2) How do the performance and cost of reformer technologies depend on scale? What critical technologies limit cost and performance of small scale hydrogen production systems? What are the prospects for potential cost reductions and performance improvements as these technologies advance? (3) How would reductions in the reformer capital cost impact the delivered cost of hydrogen transportation fuel? In the second chapter of this report the authors estimate the potential demand for hydrogen transportation fuel in Southern California.« less

Hydrogen generator, via catalytic partial oxidation of methane for fuel cells

NASA Astrophysics Data System (ADS)

Recupero, Vincenzo; Pino, Lidia; Di Leonardo, Raffaele; Lagana', Massimo; Maggio, Gaetano

It is well known that the most acknowledged process for generation of hydrogen for fuel cells is based upon the steam reforming of methane or natural gas. A valid alternative could be a process based on partial oxidation of methane, since the process is mildly exothermic and therefore not energy intensive. Consequently, great interest is expected from conversion of methane into syngas, if an autothermal, low energy intensive, compact and reliable process could be developed. This paper covers the activities, performed by the CNR Institute of Transformation and Storage of Energy (CNR-TAE), on theoretical and experimental studies for a compact hydrogen generator, via catalytic selective partial oxidation of methane, integrated with second generation fuel cells (EC-JOU2 contract). In particular, the project focuses the attention on methane partial oxidation via heterogeneous selective catalysts, in order to: demonstrate the basic catalytic selective partial oxidation of methane (CSPOM) technology in a subscale prototype, equivalent to a nominal output of 5 kWe; develop the CSPOM technology for its application in electric energy production by means of fuel cells; assess, by a balance of plant analysis, and a techno-economic evaluation, the potential benefits of the CSPOM for different categories of fuel cells.

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.

Geochemical Effects of Millimolar Hydrogen Concentrations in Groundwater: An Experimental Study in the Context of Subsurface Hydrogen Storage.

PubMed

Berta, Marton; Dethlefsen, Frank; Ebert, Markus; Schäfer, Dirk; Dahmke, Andreas

2018-04-17

Hydrogen storage in geological formations is one of the most promising technologies for balancing major fluctuations between energy supply from renewable energy plants and energy demand of customers. If hydrogen gas is stored in a porous medium or if it leaks into a shallow aquifer, redox reactions can oxidize hydrogen and reduce electron acceptors such as nitrate, Fe III and Mn IV (hydro)oxides, sulfate, and carbonate. These reactions are of key significance, because they can cause unintentional losses in hydrogen stored in porous media and they also can cause unwanted changes in the composition of protected potable groundwater. To represent an aquifer environment enclosing a hydrogen plume, laboratory experiments using sediment-filled columns were constructed and percolated by groundwater in equilibrium with high (2-15 bar) hydrogen partial pressures. Here, we show that hydrogen is consumed rapidly in these experiments via sulfate reduction (18 ± 5 μM h -1 ) and acetate production (0.030 ± 0.006 h -1 ), while no methanogenesis took place. The observed reaction rates were independent from the partial pressure of hydrogen and hydrogen consumption only stopped in supplemental microcosm experiments where salinity was increased above 35 g L -1 . The outcomes presented here are implemented for planning the sustainable use of the subsurface space within the ANGUS+ project.

Fuel cell system for transportation applications

DOEpatents

Kumar, Romesh; Ahmed, Shabbir; Krumpelt, Michael; Myles, Kevin M.

1993-01-01

A propulsion system for a vehicle having pairs of front and rear wheels and a fuel tank. An electrically driven motor having an output shaft operatively connected to at least one of said pair of wheels is connected to a fuel cell having a positive electrode and a negative electrode separated by an electrolyte for producing dc power to operate the motor. A partial oxidation reformer is connected both to the fuel tank and to the fuel cell receives hydrogen-containing fuel from the fuel tank and water and air and for partially oxidizing and reforming the fuel with water and air in the presence of an oxidizing catalyst and a reforming catalyst to produce a hydrogen-containing gas. The hydrogen-containing gas is sent from the partial oxidation reformer to the fuel cell negative electrode while air is transported to the fuel cell positive electrode to produce dc power for operating the electric motor.

Fuel cell system for transportation applications

DOEpatents

Kumar, R.; Ahmed, S.; Krumpelt, M.; Myles, K.M.

1993-09-28

A propulsion system is described for a vehicle having pairs of front and rear wheels and a fuel tank. An electrically driven motor having an output shaft operatively connected to at least one of said pair of wheels is connected to a fuel cell having a positive electrode and a negative electrode separated by an electrolyte for producing dc power to operate the motor. A partial oxidation reformer is connected both to the fuel tank and to the fuel cell and receives hydrogen-containing fuel from the fuel tank and uses water and air for partially oxidizing and reforming the fuel in the presence of an oxidizing catalyst and a reforming catalyst to produce a hydrogen-containing gas. The hydrogen-containing gas is sent from the partial oxidation reformer to the fuel cell negative electrode while air is transported to the fuel cell positive electrode to produce dc power for operating the electric motor. 3 figures.

Nonhydrogenated cottonseed oil can be used as a deep fat frying medium to reduce trans-fatty acid content in french fries.

PubMed

Daniel, Darla R; Thompson, Leslie D; Shriver, Brent J; Wu, Chih-Kang; Hoover, Linda C

2005-12-01

The purpose of this research study was to evaluate the fatty acid profile, in particular trans-fatty acids, of french fries fried in nonhydrogenated cottonseed oil as compared with french fries fried in partially hydrogenated canola oil and french fries fried in partially hydrogenated soybean oil. Cottonseed oil, partially hydrogenated canola oil, and partially hydrogenated soybean oil were subjected to a temperature of 177 degrees C for 8 hours per day, and six batches of french fries were fried per day for 5 consecutive days. French fries were weighed before frying, cooked for 5 minutes, allowed to drain, and reweighed. Oil was not replenished and was filtered once per day. Both the oil and the french fries were evaluated to determine fatty acid profiles, trans-fatty acids, and crude fat. A randomized block design with split plot was used to analyze the data collected. Least-squares difference was used as the means separation test. No significant differences were found between fries prepared in the three oil types for crude fat. Fatty acid profiles for the french fries remained stable. The french fries prepared in cottonseed oil were significantly lower in trans-fatty acids. The combined total of the trans-fatty acid content and saturated fatty acid content were lower in french fries prepared in cottonseed oil. Because deep fat frying remains a popular cooking technique, health professionals should educate the public and the food service industry on the benefits of using nonhydrogenated cottonseed oil as an alternative to the commonly used hydrogenated oils.

Continuous-flow processes for the catalytic partial hydrogenation reaction of alkynes

PubMed Central

Moreno-Marrodan, Carmen; Liguori, Francesca

2017-01-01

The catalytic partial hydrogenation of substituted alkynes to alkenes is a process of high importance in the manufacture of several market chemicals. The present paper shortly reviews the heterogeneous catalytic systems engineered for this reaction under continuous flow and in the liquid phase. The main contributions appeared in the literature from 1997 up to August 2016 are discussed in terms of reactor design. A comparison with batch and industrial processes is provided whenever possible. PMID:28503209

Tunable electronic properties of partially edge-hydrogenated armchair boron-nitrogen-carbon nanoribbons.

PubMed

Alaal, Naresh; Medhekar, Nikhil; Shukla, Alok

2018-04-18

We employ a first-principles calculations based density-functional-theory (DFT) approach to study the electronic properties of partially and fully edge-hydrogenated armchair boron-nitrogen-carbon (BNC) nanoribbons (ABNCNRs), with widths between 0.85 nm to 2.3 nm. Due to the partial passivation of edges, the electrons, which do not participate in the bonding, form new energy states located near the Fermi-level. Because of these additional bands, some ABNCNRs exhibit metallic behavior, which is quite uncommon in armchair nanoribbons. Our calculations reveal that metallic behavior is observed for the following passivation patterns: (i) when the B atom from one edge and the N atom from another edge are unpassivated. (ii) when the N atoms from both the edges are unpassivated. (iii) when the C atom from one edge and the N atom from another edge are unpassivated. Furthermore, spin-polarization is also observed for certain passivation schemes, which is also quite uncommon for armchair nanoribbons. Thus, our results suggest that the ABNCNRs exhibit a wide range of electronic and magnetic properties in that the fully edge-hydrogenated ABNCNRs are direct band gap semiconductors, while the partially edge-hydrogenated ones are either semiconducting, or metallic, while simultaneously exhibiting spin polarization, based on the nature of passivation. We also find that the ribbons with larger widths are more stable as compared to the narrower ones.

Trans-Fatty Acid-Stimulated Mammary Gland Growth in Ovariectomized Mice is Fatty Acid Type and Isomer Specific.

PubMed

Berryhill, Grace E; Miszewski, Susan G; Trott, Josephine F; Kraft, Jana; Lock, Adam L; Hovey, Russell C

2017-03-01

We previously reported that the trans-18:2 fatty acid trans-10, cis-12 conjugated linoleic acid (t10,c12-CLA) stimulates mammary gland development independent of estrogen and its receptor. Given the negative consequences of dietary trans-fatty acids on various aspects of human health, we sought to establish whether other trans-fatty acids could similarly induce ovary-independent mammary gland growth in mice. Prepubertal BALB/cJ mice were ovariectomized at 21 days of age then were fed diets enriched with cis-9, trans-11 CLA (c9,t11-CLA), or mixtures of trans-18:1 fatty acids supplied by partially hydrogenated sunflower, safflower, or linseed oil. The resultant mammary phenotype was evaluated 3 weeks later and compared to the growth response elicited by t10,c12-CLA, or the defined control diet. Whereas partially hydrogenated safflower oil increased mammary gland weight, none of the partially hydrogenated vegetable oils promoted mammary ductal growth. Similarly, the c9,t11-CLA supplemented diet was without effect on mammary development. Taken together, our data emphasize a unique effect of t10,c12-CLA in stimulating estrogen-independent mammary gland growth manifest as increased mammary ductal area and elongation that was not recapitulated by c9,t11-CLA or the partially hydrogenated vegetable oil diets.

Evaluation of thiosulfate as a substitute for hydrogen sulfide in sour corrosion fatigue studies

NASA Astrophysics Data System (ADS)

Kappes, Mariano Alberto

This work evaluates the possibility of replacing hydrogen sulfide (H 2S) with thiosulfate anion (S2O32- ) in sour corrosion fatigue studies. H2S increases the corrosion fatigue crack growth rate (FCGR) and can be present in carbon steel risers and flowlines used in off-shore oil production. Corrosion tests with gaseous H2S require special facilities with safety features, because H2S is a toxic and flammable gas. The possibility of replacing H2S with S2O32-, a non-toxic anion, for studying stress corrosion cracking of stainless and carbon steels in H2S solutions was first proposed by Tsujikawa et al. ( Tsujikawa et al., Corrosion, 1993. 49(5): p. 409-419). In this dissertation, Tsujikawa work will be extended to sour corrosion fatigue of carbon steels. H2S testing is often conducted in deareated condition to avoid oxygen reaction with sulfide that yields sulfur and to mimic oil production conditions. Nitrogen deareation was also adopted in S2O3 2- testing, and gas exiting the cell was forced through a sodium hydroxide trap. Measurements of the sulfide content of this trap were used to estimate the partial pressure of H2S in nitrogen, and Henry's law was used to estimate the content of H2S in the solution in the cell. H2S was produced by a redox reaction of S2O 32-, which required electrons from carbon steel corrosion. This reaction is spontaneous at the open circuit potential of steel. Therefore, H2S concentration was expected to be maximum at the steel surface, and this concentration was estimated by a mass balance analysis. Carbon steel specimens exposed to S2O32- containing solutions developed a film on their surface, composed by iron sulfide and cementite. The film was not passivating and a good conductor of electrons. Hydrogen permeation experiments proved that this film controls the rate of hydrogen absorption of steels exposed to thiosulfate containing solutions. The absorption of hydrogen in S2O3 2- solutions was compared with the absorption of hydrogen in solutions saturated with different H2S partial pressures. The partial pressure was selected so that the concentration of H2S in the solution saturated with the gas would be the same as that reached in the surface of steel freely corroding in the thiosulfate solution. For solutions obtained by bubbling H2S, the rate of hydrogen absorption increased with the partial pressure of the gas, but the rate of hydrogen absorption reached a maximum at 10-3 M S2O3 2-, despite the surface concentration of H2S increased with the concentration of S2O32-. This effect was associated with the formation of thicker films, which inhibited the absorption of hydrogen. FCGR were evaluated at constant stress intensity factor range. Crack length was monitored in-situ by the direct current potential drop (DCPD) method. FCGR increased with the partial pressure of H2S in nitrogen. FCGR was controlled not only by the amount of hydrogen present in the steel, but also by inhibiting contributions like crack closure and crack tip blunting. FCGR in dilute thiosulfate solutions was near that measured in a solution saturated with a partial pressure of H2S equal to 0.56 kPa, in accord with hydrogen permeation results.

Stability Mechanisms of a Thermophilic Laccase Probed by Molecular Dynamics

PubMed Central

Christensen, Niels J.; Kepp, Kasper P.

2013-01-01

Laccases are highly stable, industrially important enzymes capable of oxidizing a large range of substrates. Causes for their stability are, as for other proteins, poorly understood. In this work, multiple-seed molecular dynamics (MD) was applied to a Trametes versicolor laccase in response to variable ionic strengths, temperatures, and glycosylation status. Near-physiological conditions provided excellent agreement with the crystal structure (average RMSD ∼0.92 Å) and residual agreement with experimental B-factors. The persistence of backbone hydrogen bonds was identified as a key descriptor of structural response to environment, whereas solvent-accessibility, radius of gyration, and fluctuations were only locally relevant. Backbone hydrogen bonds decreased systematically with temperature in all simulations (∼9 per 50 K), probing structural changes associated with enthalpy-entropy compensation. Approaching T opt (∼350 K) from 300 K, this change correlated with a beginning “unzipping” of critical β-sheets. 0 M ionic strength triggered partial denucleation of the C-terminal (known experimentally to be sensitive) at 400 K, suggesting a general salt stabilization effect. In contrast, F− (but not Cl−) specifically impaired secondary structure by formation of strong hydrogen bonds with backbone NH, providing a mechanism for experimentally observed small anion destabilization, potentially remedied by site-directed mutagenesis at critical intrusion sites. N-glycosylation was found to support structural integrity by increasing persistent backbone hydrogen bonds by ∼4 across simulations, mainly via prevention of F− intrusion. Hydrogen-bond loss in distinct loop regions and ends of critical β-sheets suggest potential strategies for laboratory optimization of these industrially important enzymes. PMID:23658618

Temperature- and composition-dependent hydrogen diffusivity in palladium from statistically-averaged molecular dynamics

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

Zhou, Xiaowang; Heo, Tae Wook; Wood, Brandon C.

Solid-state hydrogen storage materials undergo complex phase transformations whose kinetics is often limited by hydrogen diffusion. Among metal hydrides, palladium hydride undergoes a diffusional phase transformation upon hydrogen uptake, during which the hydrogen diffusivity varies with hydrogen composition and temperature. Here we perform robust statistically-averaged molecular dynamics simulations to obtain a well-converged analytical expression for hydrogen diffusivity in bulk palladium that is valid throughout all stages of the reaction. Our studies confirm significant dependence of the diffusivity on composition and temperature that elucidate key trends in the available experimental measurements. Whereas at low hydrogen compositions, a single process dominates, atmore » high hydrogen compositions, diffusion is found to exhibit behavior consistent with multiple hopping barriers. Further analysis, supported by nudged elastic band computations, suggests that the multi-barrier diffusion can be interpreted as two distinct mechanisms corresponding to hydrogen-rich and hydrogen-poor local environments.« less

Temperature- and composition-dependent hydrogen diffusivity in palladium from statistically-averaged molecular dynamics

DOE PAGES

Zhou, Xiaowang; Heo, Tae Wook; Wood, Brandon C.; ...

2018-03-09

Solid-state hydrogen storage materials undergo complex phase transformations whose kinetics is often limited by hydrogen diffusion. Among metal hydrides, palladium hydride undergoes a diffusional phase transformation upon hydrogen uptake, during which the hydrogen diffusivity varies with hydrogen composition and temperature. Here we perform robust statistically-averaged molecular dynamics simulations to obtain a well-converged analytical expression for hydrogen diffusivity in bulk palladium that is valid throughout all stages of the reaction. Our studies confirm significant dependence of the diffusivity on composition and temperature that elucidate key trends in the available experimental measurements. Whereas at low hydrogen compositions, a single process dominates, atmore » high hydrogen compositions, diffusion is found to exhibit behavior consistent with multiple hopping barriers. Further analysis, supported by nudged elastic band computations, suggests that the multi-barrier diffusion can be interpreted as two distinct mechanisms corresponding to hydrogen-rich and hydrogen-poor local environments.« less

Process for producing methane from gas streams containing carbon monoxide and hydrogen

DOEpatents

Frost, Albert C.

1980-01-01

Carbon monoxide-containing gas streams are passed over a catalyst capable of catalyzing the disproportionation of carbon monoxide so as to deposit a surface layer of active surface carbon on the catalyst essentially without formation of inactive coke thereon. The surface layer is contacted with steam and is thus converted to methane and CO.sub.2, from which a relatively pure methane product may be obtained. While carbon monoxide-containing gas streams having hydrogen or water present therein can be used only the carbon monoxide available after reaction with said hydrogen or water is decomposed to form said active surface carbon. Although hydrogen or water will be converted, partially or completely, to methane that can be utilized in a combustion zone to generate heat for steam production or other energy recovery purposes, said hydrogen is selectively removed from a CO--H.sub.2 -containing feed stream by partial oxidation thereof prior to disproportionation of the CO content of said stream.

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

Plasma reforming and partial oxidation of hydrocarbon fuel vapor to produce synthesis gas and/or hydrogen gas

DOEpatents

Kong, Peter C.; Detering, Brent A.

2003-08-19

Methods and systems for treating vapors from fuels such as gasoline or diesel fuel in an internal combustion engine, to form hydrogen gas or synthesis gas, which can then be burned in the engine to produce more power. Fuel vapor, or a mixture of fuel vapor and exhaust gas and/or air, is contacted with a plasma, to promote reforming reactions between the fuel vapor and exhaust gas to produce carbon monoxide and hydrogen gas, partial oxidation reactions between the fuel vapor and air to produce carbon monoxide and hydrogen gas, or direct hydrogen and carbon particle production from the fuel vapor. The plasma can be a thermal plasma or a non-thermal plasma. The plasma can be produced in a plasma generating device which can be preheated by contact with at least a portion of the hot exhaust gas stream, thereby decreasing the power requirements of the plasma generating device.

Plasma Reforming And Partial Oxidation Of Hydrocarbon Fuel Vapor To Produce Synthesis Gas And/Or Hydrogen Gas

DOEpatents

Kong, Peter C.; Detering, Brent A.

2004-10-19

Methods and systems are disclosed for treating vapors from fuels such as gasoline or diesel fuel in an internal combustion engine, to form hydrogen gas or synthesis gas, which can then be burned in the engine to produce more power. Fuel vapor, or a mixture of fuel vapor and exhaust gas and/or air, is contacted with a plasma, to promote reforming reactions between the fuel vapor and exhaust gas to produce carbon monoxide and hydrogen gas, partial oxidation reactions between the fuel vapor and air to produce carbon monoxide and hydrogen gas, or direct hydrogen and carbon particle production from the fuel vapor. The plasma can be a thermal plasma or a non-thermal plasma. The plasma can be produced in a plasma generating device which can be preheated by contact with at least a portion of the hot exhaust gas stream, thereby decreasing the power requirements of the plasma generating device.

Hyperspectral remote sensing of plant biochemistry using Bayesian model averaging with variable and band selection

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

Zhao, Kaiguang; Valle, Denis; Popescu, Sorin

2013-05-15

Model specification remains challenging in spectroscopy of plant biochemistry, as exemplified by the availability of various spectral indices or band combinations for estimating the same biochemical. This lack of consensus in model choice across applications argues for a paradigm shift in hyperspectral methods to address model uncertainty and misspecification. We demonstrated one such method using Bayesian model averaging (BMA), which performs variable/band selection and quantifies the relative merits of many candidate models to synthesize a weighted average model with improved predictive performances. The utility of BMA was examined using a portfolio of 27 foliage spectral–chemical datasets representing over 80 speciesmore » across the globe to estimate multiple biochemical properties, including nitrogen, hydrogen, carbon, cellulose, lignin, chlorophyll (a or b), carotenoid, polar and nonpolar extractives, leaf mass per area, and equivalent water thickness. We also compared BMA with partial least squares (PLS) and stepwise multiple regression (SMR). Results showed that all the biochemicals except carotenoid were accurately estimated from hyerspectral data with R2 values > 0.80.« less

Catalytic two-stage coal hydrogenation and hydroconversion process

DOEpatents

MacArthur, James B.; McLean, Joseph B.; Comolli, Alfred G.

1989-01-01

A process for two-stage catalytic hydrogenation and liquefaction of coal to produce increased yields of low-boiling hydrocarbon liquid and gas products. In the process, the particulate coal is slurried with a process-derived liquid solvent and fed at temperature below about 650.degree. F. into a first stage catalytic reaction zone operated at conditions which promote controlled rate liquefaction of the coal, while simultaneously hydrogenating the hydrocarbon recycle oils at conditions favoring hydrogenation reactions. The first stage reactor is maintained at 650.degree.-800.degree. F. temperature, 1000-4000 psig hydrogen partial pressure, and 10-60 lb coal/hr/ft.sup.3 reactor space velocity. The partially hydrogenated material from the first stage reaction zone is passed directly to the close-coupled second stage catalytic reaction zone maintained at a temperature at least about 25.degree. F. higher than for the first stage reactor and within a range of 750.degree.-875.degree. F. temperature for further hydrogenation and thermal hydroconversion reactions. By this process, the coal feed is successively catalytically hydrogenated and hydroconverted at selected conditions, which results in significantly increased yields of desirable low-boiling hydrocarbon liquid products and minimal production of undesirable residuum and unconverted coal and hydrocarbon gases, with use of less energy to obtain the low molecular weight products, while catalyst life is substantially increased.

Thermodynamic Stability of Ice II and Its Hydrogen-Disordered Counterpart: Role of Zero-Point Energy.

PubMed

Nakamura, Tatsuya; Matsumoto, Masakazu; Yagasaki, Takuma; Tanaka, Hideki

2016-03-03

We investigate why no hydrogen-disordered form of ice II has been found in nature despite the fact that most of hydrogen-ordered ices have hydrogen-disordered counterparts. The thermodynamic stability of a set of hydrogen-ordered ice II variants relative to ice II is evaluated theoretically. It is found that ice II is more stable than the disordered variants so generated as to satisfy the simple ice rule due to the lower zero-point energy as well as the pair interaction energy. The residual entropy of the disordered ice II phase gradually compensates the unfavorable free energy with increasing temperature. The crossover, however, occurs at a high temperature well above the melting point of ice III. Consequently, the hydrogen-disordered phase does not exist in nature. The thermodynamic stability of partially hydrogen-disordered ices is also scrutinized by examining the free-energy components of several variants obtained by systematic inversion of OH directions in ice II. The potential energy of one variant is lower than that of the ice II structure, but its Gibbs free energy is slightly higher than that of ice II due to the zero-point energy. The slight difference in the thermodynamic stability leaves the possibility of the partial hydrogen-disorder in real ice II.

Far infrared VRT spectroscopy of two water trimer isotopomers vibrationally averaged structures and rearrangement dynamics

NASA Astrophysics Data System (ADS)

Liu, K.; Brown, M. G.; Viant, M. R.; Cruzan, J. D.; Saykally, R. J.

We report the measurement of far infrared vibration rotation tunnelling parallel bands of two partially deuterated water trimer isotopomers D O DOH and H O DOH at 97 2607 cm and 86 cm respectively The hydrogen bond rearrangement dynamics of the two mixed trimers can be described by the simplified molecular symmetry G which accounts for both the flipping and bifurcation tunnelling motions previously established for H O and D O The observed donor tunnelling quartet rather than triplet splitting indicates that the two homogeneous monomers D O or H O in each mixed trimer experience slightly different environments Vibrationally averaged structures of H O D O and D O DOH were examined in a Monte Carlo simulation of the out of plane flipping motions of the free atoms The simulation addresses both the symmetric top behaviour and the negative zero point inertial defect for H O and D O which were insufficiently counted in all previous structure models The average ground state O O separations which are correlated to other angular coordinates were determined to be 2 84 0 01 A for all three species The simulated difference in hydrogen bond nonlinearity also supports the inequivalency of the two homogeneous mono mers The structural simulation shows that the unique H in D O DOH is free while a torsional analysis suggests the unique D in H O DOH is bound within the cyclic ring Both bands can be assigned to the pseudorotational transitions which correlate to those found in the pure trimers

NREL Establishes World Record for Solar Hydrogen Production | News | News |

Science.gov Websites

acid/water solution (electrolyte) where the water-splitting reaction occurs to form hydrogen and oxygen efficiency and to partially protect the critical underlying layers from the corrosive electrolyte solution

Mechanical properties of turbine blade alloys in hydrogen at elevated temperatures

NASA Technical Reports Server (NTRS)

Deluca, D. P.

1981-01-01

The mechanical properties of single crystal turbine blade alloys in a gaseous hydrogen environment were determined. These alloys are proposed for use in space propulsion systems in pure or partial high pressure hydrogen environments at elevated temperatures. Mechanical property tests included: tensile, creep, low fatigue (LCF), and crack growth. Specimens were in both transverse and longitudinal directions relative to the casting solidification direction. Testing was conducted on solid specimens exposed to externally pressurized environments of gaseous hydrogen and hydrogen-enriched steam.

Low temperature hydrogen production during experimental hydration of partially-serpentinized dunite

NASA Astrophysics Data System (ADS)

Miller, Hannah M.; Mayhew, Lisa E.; Ellison, Eric T.; Kelemen, Peter; Kubo, Mike; Templeton, Alexis S.

2017-07-01

Dissolved hydrogen is common in mafic and ultramafic aquifers; however, the water/rock reactions that give rise to hydrogen production at near-surface temperatures are enigmatic. Similarly, mineral hydration experiments have not yet unequivocally demonstrated whether H2 can be produced at low-temperatures at significant rates from reaction of aqueous fluids with basalts and peridotites for prolonged amounts of time. We conducted laboratory-based water/rock reactions between partially serpentinized Oman dunite and a simulated Oman rainwater (RW) media, as well as a simulated seawater (SW) media, to quantify H2 generation rates at 100 °C. Throughout more than 9 months of water/rock reaction, extensive hydrogen production and consumption were observed in RW and SW media. In the first 24 h of reaction in anoxic fluids containing only dissolved N2 and CO2, the room-temperature pH in both RW and SW media increased from 6.5 to ∼9, and the average pH then remained relatively constant at pH 8.5 (±0.5 pH) for the duration of the experiments. We also measured some of the highest hydrogen concentrations observed in experimental low-temperature serpentinization reactions. The maximum measured H2 concentrations in SW media were 470 nmol H2 per g mineral after ∼3 months, while RW media H2 concentrations reached 280 nmol/g H2 after ∼3 months. After reaching micromolar dissolved H2(aq), the H2 concentrations notably declined, and CO2 was almost fully consumed. We measured the formation of formate (up to 98 μM) and acetate (up to 91 μM) associated with a drawdown of H2 and CO2 in the experiments. No CH4 or carbonate formation was observed. To identify reactions giving rise to low-temperature hydrogen production, the mineralogy and oxidation state of the Fe-bearing species in the dunite were extensively characterized before and after reaction using Raman spectroscopy, Quantitative Evaluation of Minerals by SCANing electron microscopy (QEMSCAN), powder X-ray diffraction (XRD), magnetic susceptibility, scanning electron microscopy (SEM), and Fe K-edge X-ray absorption near edge structure (XANES) spectroscopic techniques. The mineralogy of the solid starting material was dominated by olivine and serpentine with minor brucite, pyroxene and spinel. After reaction, additional serpentine and magnetite could be detected as reaction products, and pre-existing brucite was consumed. No changes were observed in the abundance or grain sizes of olivine or pyroxene. Thus, we propose that the destabilization of Fe(II)-bearing brucite and the subsequent oxidation of the aqueous Fe(II) to form magnetite and Fe(III)-rich serpentine give rise to H2 production at 100 °C. This work demonstrates that dissolved hydrogen and low molecular weight organic acids can be produced by the reaction of labile Fe(II)-bearing minerals generated during a prior stage of water/rock reactions. In particular, progressive alteration of partially-serpentinized peridotites containing brucite may generate sufficient electron donors to fuel in-situ subsurface microbial activity.

Effects of Hydrogen-Rich Saline on Hepatectomy-Induced Postoperative Cognitive Dysfunction in Old Mice.

PubMed

Tian, Yue; Guo, Shanbin; Zhang, Yan; Xu, Ying; Zhao, Ping; Zhao, Xiaochun

2017-05-01

This study aims to investigate the protective effects and underlying mechanisms of hydrogen-rich saline on the cognitive functions of elder mice with partial hepatectomy-induced postoperative cognitive dysfunction (POCD). Ninety-six old male Kunming mice were randomly divided into 4 groups (n = 24 each): control group (group C), hydrogen-rich saline group (group H), POCD group (group P), and POCD + hydrogen-rich saline group (group PH). Cognitive function was subsequently assessed using Morris water-maze (MWM) test. TNF-α and IL-1β levels were measured by enzyme-linked immunosorbent assay (ELISA) and immunohistochemistry, along with NF-κB activity determined by ELISA. The morphology of hippocampal tissues were further observed by HE staining. Learning and memory abilities of mice were significantly impaired at day 10 and day 14 post-surgery, as partial hepatectomy significantly prolonged the escape latency, decreased time at the original platform quadrant and frequency of crossing in group P when compared to group C (p < 0.05). The surgery also increased the contents of TNF-α, IL-1β, and NF-κB activity at all time points after surgery (p < 0.05). The introduction of hydrogen-rich saline (group PH) partially rescued spatial memory and learning as it shortened escape latency and increased time and crossing frequency of original platform compared to group P (p < 0.05). Moreover, such treatment also decreased TNF-α and IL-1β levels and NF-κB activity (p < 0.05). In addition, cell necrosis in the hippocampus induced by hepatectomy was also rescued by hydrogen-rich saline. Hydrogen-rich saline can alleviate POCD via inhibiting NF-κB activity in the hippocampus and reducing inflammatory response.

Partially oxidized iridium clusters within dendrimers: size-controlled synthesis and selective hydrogenation of 2-nitrobenzaldehyde

NASA Astrophysics Data System (ADS)

Higaki, Tatsuya; Kitazawa, Hirokazu; Yamazoe, Seiji; Tsukuda, Tatsuya

2016-06-01

Iridium clusters nominally composed of 15, 30 or 60 atoms were size-selectively synthesized within OH-terminated poly(amidoamine) dendrimers of generation 6. Spectroscopic characterization revealed that the Ir clusters were partially oxidized. All the Ir clusters efficiently converted 2-nitrobenzaldehyde to anthranil and 2-aminobenzaldehyde under atmospheric hydrogen at room temperature in toluene via selective hydrogenation of the NO2 group. The selectivity toward 2-aminobenzaldehyde over anthranil was improved with the reduction of the cluster size. The improved selectivity is ascribed to more efficient reduction than intramolecular heterocyclization of a hydroxylamine intermediate on smaller clusters that have a higher Ir(0)-phase population on the surface.Iridium clusters nominally composed of 15, 30 or 60 atoms were size-selectively synthesized within OH-terminated poly(amidoamine) dendrimers of generation 6. Spectroscopic characterization revealed that the Ir clusters were partially oxidized. All the Ir clusters efficiently converted 2-nitrobenzaldehyde to anthranil and 2-aminobenzaldehyde under atmospheric hydrogen at room temperature in toluene via selective hydrogenation of the NO2 group. The selectivity toward 2-aminobenzaldehyde over anthranil was improved with the reduction of the cluster size. The improved selectivity is ascribed to more efficient reduction than intramolecular heterocyclization of a hydroxylamine intermediate on smaller clusters that have a higher Ir(0)-phase population on the surface. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01460g

Methane Post-Processor Development to Increase Oxygen Recovery beyond State-of-the-Art Carbon Dioxide Reduction Technology

NASA Technical Reports Server (NTRS)

Abney, Morgan; Miller, Lee; Greenwood, Zach; Iannantuono, Michelle; Jones, Kenny

2013-01-01

State-of-the-art life support carbon dioxide (CO2) reduction technology, based on the Sabatier reaction, is theoretically capable of 50% recovery of oxygen from metabolic CO2. This recovery is constrained by the limited availability of reactant hydrogen. Post-processing of the methane byproduct from the Sabatier reactor results in hydrogen recycle and a subsequent increase in oxygen recovery. For this purpose, a Methane Post-Processor Assembly containing three sub-systems has been developed and tested. The assembly includes a Methane Purification Assembly (MePA) to remove residual CO2 and water vapor from the Sabatier product stream, a Plasma Pyrolysis Assembly (PPA) to partially pyrolyze methane into hydrogen and acetylene, and an Acetylene Separation Assembly (ASepA) to purify the hydrogen product for recycle. The results of partially integrated testing of the sub-systems are reported.

Methane Post-Processor Development to Increase Oxygen Recovery beyond State-of-the-Art Carbon Dioxide Reduction Technology

NASA Technical Reports Server (NTRS)

Abney, Morgan B.; Greenwood, Zachary; Miller, Lee A.; Alvarez, Giraldo; Iannantuono, Michelle; Jones, Kenny

2013-01-01

State-of-the-art life support carbon dioxide (CO2) reduction technology, based on the Sabatier reaction, is theoretically capable of 50% recovery of oxygen from metabolic CO2. This recovery is constrained by the limited availability of reactant hydrogen. Post-processing of the methane byproduct from the Sabatier reactor results in hydrogen recycle and a subsequent increase in oxygen recovery. For this purpose, a Methane Post-Processor Assembly containing three sub-systems has been developed and tested. The assembly includes a Methane Purification Assembly (MePA) to remove residual CO2 and water vapor from the Sabatier product stream, a Plasma Pyrolysis Assembly (PPA) to partially pyrolyze methane into hydrogen and acetylene, and an Acetylene Separation Assembly (ASepA) to purify the hydrogen product for recycle. The results of partially integrated testing of the sub-systems are reported

Data on inelastic processes in low-energy potassium-hydrogen and rubidium-hydrogen collisions

NASA Astrophysics Data System (ADS)

Yakovleva, S. A.; Barklem, P. S.; Belyaev, A. K.

2018-01-01

Two sets of rate coefficients for low-energy inelastic potassium-hydrogen and rubidium-hydrogen collisions were computed for each collisional system based on two model electronic structure calculations, performed by the quantum asymptotic semi-empirical and the quantum asymptotic linear combinations of atomic orbitals (LCAO) approaches, followed by quantum multichannel calculations for the non-adiabatic nuclear dynamics. The rate coefficients for the charge transfer (mutual neutralization, ion-pair formation), excitation and de-excitation processes are calculated for all transitions between the five lowest lying covalent states and the ionic states for each collisional system for the temperature range 1000-10 000 K. The processes involving higher lying states have extremely low rate coefficients and, hence, are neglected. The two model calculations both single out the same partial processes as having large and moderate rate coefficients. The largest rate coefficients correspond to the mutual neutralization processes into the K(5s 2S) and Rb(4d 2D) final states and at temperature 6000 K have values exceeding 3 × 10-8 cm3 s-1 and 4 × 10-8 cm3 s-1, respectively. It is shown that both the semi-empirical and the LCAO approaches perform equally well on average and that both sets of atomic data have roughly the same accuracy. The processes with large and moderate rate coefficients are likely to be important for non-LTE modelling in atmospheres of F, G and K-stars, especially metal-poor stars.

Optimization of classical nonpolarizable force fields for OH(-) and H3O(+).

PubMed

Bonthuis, Douwe Jan; Mamatkulov, Shavkat I; Netz, Roland R

2016-03-14

We optimize force fields for H3O(+) and OH(-) that reproduce the experimental solvation free energies and the activities of H3O(+) Cl(-) and Na(+) OH(-) solutions up to concentrations of 1.5 mol/l. The force fields are optimized with respect to the partial charge on the hydrogen atoms and the Lennard-Jones parameters of the oxygen atoms. Remarkably, the partial charge on the hydrogen atom of the optimized H3O(+) force field is 0.8 ± 0.1|e|--significantly higher than the value typically used for nonpolarizable water models and H3O(+) force fields. In contrast, the optimal partial charge on the hydrogen atom of OH(-) turns out to be zero. Standard combination rules can be used for H3O(+) Cl(-) solutions, while for Na(+) OH(-) solutions, we need to significantly increase the effective anion-cation Lennard-Jones radius. While highlighting the importance of intramolecular electrostatics, our results show that it is possible to generate thermodynamically consistent force fields without using atomic polarizability.

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.

System for the co-production of electricity and hydrogen

DOEpatents

Pham, Ai Quoc; Anderson, Brian Lee

2007-10-02

Described herein is a system for the co-generation of hydrogen gas and electricity, wherein the proportion of hydrogen to electricity can be adjusted from 0% to 100%. The system integrates fuel cell technology for power generation with fuel-assisted steam-electrolysis. A hydrocarbon fuel, a reformed hydrocarbon fuel, or a partially reformed hydrocarbon fuel can be fed into the system.

Hydrogen uptake characteristics of mischmetal based alloy

NASA Astrophysics Data System (ADS)

Jain, Ankur; Jain, R. K.; Jain, I. P.

Hydrogen storage properties of Mm 39.2Ni 42.1Mn 4.9Al 1.25Co 10.2Fe 2.35 alloy have been systematically studied in the present work. An attempt is made to relate the content of hydrogen with change in resistance. It is found that the resistance of material increases with the increase in value of H/ M due to hydrogen absorption. Pressure composition (P-C-T) isotherm using water displacement method has been investigated in the temperature and pressure ranges of 308 ≤ T ≤ 338 K and 0.5 ≤ P ≤ 10 bar, respectively. The P-C isotherms show the presence of two single α and β regions one mixed α + β phase. The maximum H (wt%) was found to be around 1.53 at 308 K and around 6 bar. Since enthalpy is an index of thermochemical stability of metal hydride the thermo dynamical parameters viz., the relative partial molar enthalpy (Δ H) and relative partial molar entropy (Δ S) of dissolved hydrogen have been calculated by plotting the Van't Hoff plot. The variation of Δ H and Δ S with the hydrogen concentration confirm the phase boundaries.

Continuum model for hydrogen pickup in zirconium alloys of LWR fuel cladding

NASA Astrophysics Data System (ADS)

Wang, Xing; Zheng, Ming-Jie; Szlufarska, Izabela; Morgan, Dane

2017-04-01

A continuum model for calculating the time-dependent hydrogen pickup fractions in various Zirconium alloys under steam and pressured water oxidation has been developed in this study. Using only one fitting parameter, the effective hydrogen gas partial pressure at the oxide surface, a qualitative agreement is obtained between the predicted and previously measured hydrogen pickup fractions. The calculation results therefore demonstrate that H diffusion through the dense oxide layer plays an important role in the hydrogen pickup process. The limitations and possible improvement of the model are also discussed.

Hydrogen production from the dissolution of nano zero valent iron and its effect on anaerobic digestion.

PubMed

Huang, Yu-Xi; Guo, Jialiang; Zhang, Chunyang; Hu, Zhiqiang

2016-01-01

Nano zero valent iron (NZVI) has shown inhibition on methanogenesis in anaerobic digestion due to its reductive decomposition of cell membrane. The inhibition was accompanied by the accumulation of hydrogen gas due to rapid NZVI dissolution. It is not clear whether and how rapid hydrogen release from NZVI dissolution directly affects anaerobic digestion. In this study, the hydrogen release kinetics from NZVI (average size = 55 ± 11 nm) dissolution in deionized water under anaerobic conditions was first evaluated. The first-order NZVI dissolution rate constant was 2.62 ± 0.26 h(-1) with its half-life of 0.26 ± 0.03 h. Two sets of anaerobic digestion experiments (i.e., in the presence of glucose or without any substrate but at different anaerobic sludge concentrations) were performed to study the impact of H2 release from rapid NZVI dissolution, in which H2 was generated in a separate water bottle containing NZVI (i.e., ex situ H2 or externally supplied from NZVI dissolution) before hydrogen gas was introduced to anaerobic digestion. The results showed that the H2 partial pressure in the headspace of the digestion bottle reached as high as 0.27 atm due to rapid NZVI dissolution, resulting in temporary inhibition of methane production. Nevertheless, the 5-d cumulative methane volume in the group with ex situ H2 production due to NZVI dissolution was actually higher than that of control, suggesting NZVI inhibition on methanogenesis is solely due to the reductive decomposition of cell membrane after direct contact with NZVI. Copyright © 2015 Elsevier Ltd. All rights reserved.

Fabrication of a glycerol from CO2 reaction system, supplement

NASA Technical Reports Server (NTRS)

Weiss, A. H.

1973-01-01

The fabrication, installation, and testing of a glycerol hydrogenation and a CO2 hydrogenation - CH4 partial oxidation units are reported. The glycerol system proved to be operational while the CO2 system was installed but not bought on operational steam.

21 CFR 184.1472 - Menhaden oil.

Code of Federal Regulations, 2013 CFR

2013-04-01

... limitations to ensure that total intake of eicosapentaenoic acid or docosahexaenoic acid does not exceed 3.0... source of eicosapentaenoic acid or docosahexaenoic acid. (b) Hydrogenated and partially hydrogenated... Value of Fats and Oils, Cyclohexane—Acetic Acid Method,” which is incorporated by reference in...

21 CFR 184.1472 - Menhaden oil.

Code of Federal Regulations, 2012 CFR

2012-04-01

... limitations to ensure that total intake of eicosapentaenoic acid or docosahexaenoic acid does not exceed 3.0... source of eicosapentaenoic acid or docosahexaenoic acid. (b) Hydrogenated and partially hydrogenated... Value of Fats and Oils, Cyclohexane—Acetic Acid Method,” which is incorporated by reference in...

Modelling the average velocity of propagation of the flame front in a gasoline engine with hydrogen additives

NASA Astrophysics Data System (ADS)

Smolenskaya, N. M.; Smolenskii, V. V.

2018-01-01

The paper presents models for calculating the average velocity of propagation of the flame front, obtained from the results of experimental studies. Experimental studies were carried out on a single-cylinder gasoline engine UIT-85 with hydrogen additives up to 6% of the mass of fuel. The article shows the influence of hydrogen addition on the average velocity propagation of the flame front in the main combustion phase. The dependences of the turbulent propagation velocity of the flame front in the second combustion phase on the composition of the mixture and operating modes. The article shows the influence of the normal combustion rate on the average flame propagation velocity in the third combustion phase.

Integrated hydrocarbon reforming system and controls

DOEpatents

Clawson, Lawrence G.; Dorson, Matthew H.; Mitchell, William L.; Nowicki, Brian J.; Thijssen, Johannes; Davis, Robert; Papile, Christopher; Rumsey, Jennifer W.; Longo, Nathan; Cross, III, James C.; Rizzo, Vincent; Kleeburg, Gunther; Rindone, Michael; Block, Stephen G.; Sun, Maria; Morriseau, Brian D.; Hagan, Mark R.; Bowers, Brian

2003-11-04

A hydrocarbon reformer system including a first reactor configured to generate hydrogen-rich reformate by carrying out at least one of a non-catalytic thermal partial oxidation, a catalytic partial oxidation, a steam reforming, and any combinations thereof, a second reactor in fluid communication with the first reactor to receive the hydrogen-rich reformate, and having a catalyst for promoting a water gas shift reaction in the hydrogen-rich reformate, and a heat exchanger having a first mass of two-phase water therein and configured to exchange heat between the two-phase water and the hydrogen-rich reformate in the second reactor, the heat exchanger being in fluid communication with the first reactor so as to supply steam to the first reactor as a reactant is disclosed. The disclosed reformer includes an auxiliary reactor configured to generate heated water/steam and being in fluid communication with the heat exchanger of the second reactor to supply the heated water/steam to the heat exchanger.

Spectroscopic detection of stratospheric hydrogen cyanide

NASA Technical Reports Server (NTRS)

Coffey, M. T.; Mankin, W. G.; Cicerone, R. J.

1981-01-01

A number of features have been identified as absorption lines of hydrogen cyanide in infrared spectra of stratospheric absorption obtained from a high-altitude aircraft. Column amounts of stratospheric hydrogen cyanide have been derived from spectra recorded on eight flights. The average vertical column amount above 12 kilometers is 7.1 + or - 0.8 x 10 to the 14th molecules per square centimeter, corresponding to an average mixing ratio of 170 parts per trillion by volume.

Generation of Comprehensive Surrogate Kinetic Models and Validation Databases for Simulating Large Molecular Weight Hydrocarbon Fuels

DTIC Science & Technology

2012-10-25

of hydrogen/ carbon molar ratio (H/C), derived cetane number (DCN), threshold sooting index (TSI), and average mean molecular weight (MWave) of...diffusive soot extinction configurations. Matching the “real fuel combustion property targets” of hydrogen/ carbon molar ratio (H/C), derived cetane number...combustion property targets - hydrogen/ carbon molar ratio (H/C), derived cetane number (DCN), threshold sooting index (TSI), and average mean

H?, D? and HD adsorption upon the metal-organic framework [Cu?Zn?(btc)?]? studied by pulsed ENDOR and HYSCORE spectroscopy

NASA Astrophysics Data System (ADS)

Jee, Bettina; Hartmann, Martin; Pöppl, Andreas

2013-10-01

The adsorption of hydrogen has become interesting in terms of gas separation as well as safe and reversible storage of hydrogen as an energy carrier. In this regard, metal-organic framework compounds are potential candidates. The metal-organic framework [Cu?Zn?(btc)?]? as a partially Zn-substituted analogue of the well known compound HKUST-1 is well suited for studying adsorption geometries at cupric ions by electron paramagnetic resonance (EPR) methods due to the formation of few mixed Cu/Zn paddle wheel units with isolated S = 1/2 electron spins. The adsorption of hydrogen (H2) as well as the deuterium (D2) and HD molecules were investigated by continuous wave EPR and pulsed ENDOR and HYSCORE spectroscopy. The principal values of the proton and deuterium hyperfine coupling tensors ? and ? were determined by spectral simulations as well as of the deuterium nuclear quadrupole tensor ? for adsorbed HD and D2. The results show a side-on coordination of HD and D2 with identical Cu-H and Cu-D distances rCuX = 2.8 Å with the tensors ? and ? aligned parallel to the C4 symmetry axis of the paddle wheel unit. A thermodynamic non-equilibrium state with J = 1, mJ = ±1 is indicated by the experimental data with ? and ? averaged by rotation around C4.

Low severity coal conversion by ionic hydrogenation: Quarterly report, October--December 1988

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

Maioriello, J.; Larsen, J.W.

1988-12-31

A newly developed reaction system consisting of H/sub 2/O:BF/sub 3//H/sub 2//(CH/sub 3/CN)/sub 2/PtCl/sub 2/ was applied to the ionic hydrogenation of aromatic and functionalized aromatic compounds. Hydrogenations were carried out in this aqueous system at 50/degree/C and 500 psi H/sub 2/. Aryl ethers were hydrogenated and cleaved, yielding deoxygenated, fully saturated compounds as the major products. Reactions of nitrogen-containing aromatic compounds resulted in partial saturation of aromatic rings without cleavage of the C-N bonds. Aromatic and PNA compounds can be fully or partially hydrogenated depending on their structures. Aromatic thiols, sulfides and thiophenes poison the catalyst; the oxidized sulfur formsmore » (sulfonic acids, sulfones) were not reduced and did not poison the catalyst. It was found that certain aromatic compounds were easier to hydrogenate than others. Ionic hydrogenation of Wyodak cola using a H/sub 2/O:BF/sub 3//H/sub 2//(MeCN)/sub 2/PtCl/sub 2/ resulted in no significant increase in THF extractability (5.8--9.6% THF-extractables, wt) over that of the parent coal (4.6--6.7% THF-extractables, wt). Ionic hydrogenation of a demineralized Wyodak coal (1 M aq. citric acid, reflux 1 day) resulted in a slight increase in THF extractability (10.4%) over the untreated parent coal (5.6--5.8%). 4 refs., 1 fig., 1 tab.« less

Consumption of trans fats and estimated effects on coronary heart disease in Iran.

PubMed

Mozaffarian, D; Abdollahi, M; Campos, H; Houshiarrad, A; Willett, W C

2007-08-01

To investigate the consumption of industrial trans-fatty acids (TFAs) in Iranian homes and the proportion of coronary heart disease (CHD) events in Iran attributable to such intake. The consumption of industrial TFAs was determined using (1) detailed in-home assessments of dietary intake among 7158 urban and rural households containing 35 924 individuals and (2) gas chromatography to determine TFA contents of the most commonly consumed partially hydrogenated oils. The population-attributable risk for CHD owing to TFA consumption was calculated on the basis of (1) documented effects of TFAs on total:high-density lipoprotein (HDL) cholesterol in randomized controlled dietary trials and (2) relationships of TFA intake with incidence of CHD in prospective observational studies. Partially hydrogenated oils were used extensively for cooking in Iranian homes with average per-person intake of 14 g/1000 kcal. TFAs accounted for 33% of fatty acids in these products, or 4.2% of all calories consumed (12.3 g/day). On the basis of total:HDL cholesterol effects alone, 9% of CHD events would be prevented by replacement of TFA in Iranian homes with cis-unsaturated fats (8% by replacement with saturated fats). On the basis of relationships of TFA intake with CHD incidence in prospective studies, 39% of CHD events would be prevented by replacement of TFA with cis-unsaturated fats (31% by replacement with saturated fats). These population-attributable risks may be overestimates owing to competing risks and because not all the fat used for cooking might actually be consumed. If actual TFA consumption were only half as large, the estimated proportion of CHD events prevented by TFA elimination would be 5% on the basis of total:HDL cholesterol effects and replacement with cis-unsaturated (4% for replacement with saturated fats), and 22% on the basis of prospective studies and replacement with cis-unsaturated fats (17% for replacement with saturated fats). These estimates do not include possible additional benefits derived from replacing TFAs with vegetable oils containing n-3 fatty acids. Intake of TFAs is high in Iranian homes and contributes to a sizeable proportion of CHD events. Replacement of partially hydrogenated oils with unhydrogenated oils would likely produce substantial reductions in CHD incidence. National Heart, Lung and Blood Institute, National Institutes of Health, USA. National Nutrition & Food Technology Research Institute, Tehran, Iran.

Fiber-Optic Based Compact Gas Leak Detection System

NASA Technical Reports Server (NTRS)

deGroot, Wim A.

1995-01-01

A propellant leak detection system based on Raman scattering principles is introduced. The proposed system is flexible and versatile as the result of the use of optical fibers. It is shown that multiple species can be monitored simultaneously. In this paper oxygen, nitrogen, carbon monoxide, and hydrogen are detected and monitored. The current detection sensitivity for both hydrogen and carbon monoxide is 1% partial pressure at ambient conditions. The sensitivity for oxygen and nitrogen is 0.5% partial pressure. The response time to changes in species concentration is three minutes. This system can be used to monitor multiple species at several locations.

Radiation of partially ionized atomic hydrogen

NASA Technical Reports Server (NTRS)

Soon, W. H.; Kunc, J. A.

1990-01-01

A nonlinear collisional-radiative model for determination of production of electrons, positive and negative ions, excited atoms, and spectral and continuum line intensities in stationary partially ionized atomic hydrogen is presented. Transport of radiation is included by coupling the rate equations for production of the electrons, ions, and excited atoms with the radiation escape factors, which are not constant but depend on plasma conditions. It is found that the contribution of the negative ion emission to the total continuum emission can be important. Comparison of the calculated total continuum emission coefficient, including the negative ion emission, is in good agreement with experimental results.

Infrared Spectroscopy and Born-Oppenheimer Molecular Dynamics Simulation Study on Deuterium Substitution in the Crystalline Benzoic Acid.

PubMed

Gług, Maciej; Brela, Mateusz Z; Boczar, Marek; Turek, Andrzej M; Boda, Łukasz; Wójcik, Marek J; Nakajima, Takahito; Ozaki, Yukihiro

2017-01-26

In this study we present complementary computational and experimental studies of hydrogen bond interaction in crystalline benzoic acid and its deuterated and partially deuterated derivatives. The experimental part of the presented work includes preparation of partially deuterated samples and measurement of attenuated total reflection (ATR)-FTIR spectra. Analysis of the geometrical parameters and time course of dipole moment of crystalline benzoic acid and its deuterated and partially deuterated derivatives by Born-Oppenheimer molecular dynamics (BOMD) enabled us to deeply analyze the IR spectra. Presented simulations based on BOMD gave us opportunity to investigate individual motion and its contribution to the IR spectra. The band contours calculated using Fourier transform of autocorrelation function are in quantitative agreement with the experimental spectra. Characterization of single bands was carried out by "normal coordinate analysis". The salient point of our study is a comparison of the spectra of the deuterated and partially deuterated crystalline benzoic acid with that of the nondeuterated one. Furthermore, we have applied the principal component analysis for analysis of the number of components in partially deuterated systems. In this study, we reveal that the arrangements of hydrogen and deuterium atoms in partially deuterated samples are random.

Measurement Of Hydrogen Capacities And Stability In Thin Films Of AlH Deposited By Magnetron Sputtering

NASA Astrophysics Data System (ADS)

Dissanayake, A.; AlFaify, S.; Garratt, E.; Nandasiri, M. I.; Taibu, R.; Tecos, G.; Hamdan, N. M.; Kayani, A.

2011-06-01

Thin, hydrogenated aluminum hydride films were deposited on silicon substrates using unbalanced magnetron (UBM) sputtering of a high purity aluminum target under electrically grounded conditions. Argon was used as sputtering gas and hydrogenation was carried out by diluting the growth plasma with hydrogen. The effect of hydrogen partial pressure on the final concentration of trapped elements including hydrogen has been studied using ion beam analysis (IBA) techniques. Moreover, in-situ thermal stability of trapped hydrogen in the film was carried out using Rutherford Backscattering Spectrometry (RBS), Non-Rutherford Backscattering Spectrometry (NRBS) and Elastic Recoil Detection Analysis (ERDA). Microstructure of the film was investigated by SEM analysis. Hydrogen content in the thin films was found decreasing as the films were heated above 110 °C in vacuum.

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

Lee, Gyeong Won; Shim, Jaewon; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr

The influence of renormalization plasma screening on the entanglement fidelity for the elastic electron-atom scattering is investigated in partially ionized dense hydrogen plasmas. The partial wave analysis and effective interaction potential are employed to obtain the scattering entanglement fidelity in dense hydrogen plasmas as functions of the collision energy, the Debye length, and the renormalization parameter. It is found that the renormalization plasma shielding enhances the scattering entanglement fidelity. Hence, we show that the transmission of the quantum information can be increased about 10% due to the renormalization shielding effect in dense hydrogen plasmas. It is also found that themore » renormalization shielding effect on the entanglement fidelity for the electron-atom collision increases with an increase of the collision energy. In addition, the renormalization shielding function increases with increasing collision energy and saturates to the unity with an increase of the Debye length.« less

Centaur Standard Shroud (CSS) cryogenic unlatch tests

NASA Technical Reports Server (NTRS)

1973-01-01

Cryogenic tanking and partial jettison (unlatch) tests were performed on a full scale Centaur vehicle and Centaur Standard Shroud (CSS) to develop and qualify the CSS insulation system, the CSS and Centaur ground-hold purge systems, and the Centaur hydrogen tank flight vent system. Operation of the shroud/Centaur pyrotechnic systems, seals, and the shroud jettison springs, hinges, and other separation systems was demonstrated by a partial jettison of the shroud into catch nets. The Centaur tanks were filled with liquid hydrogen and liquid nitrogen. Prelaunch operations were performed, and data taken to establish system performances. Results from the initial tests showed a higher than expected heat transfer rate to the Centaur hydrogen tank. In addition, the release mechanism for the forward seal between the Centaur and the CSS did not function properly, and the seal was torn during jettison of the shroud.

Wustite-based photoelectrodes with lithium, hydrogen, sodium, magnesium, manganese, zinc and nickel additives

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

Carter, Emily Ann; Toroker, Maytal Caspary

A photoelectrode, photovoltaic device and photoelectrochemical cell and methods of making are disclosed. The photoelectrode includes an electrode at least partially formed of FeO combined with at least one of lithium, hydrogen, sodium, magnesium, manganese, zinc, and nickel. The electrode may be doped with at least one of lithium, hydrogen, and sodium. The electrode may be alloyed with at least one of magnesium, manganese, zinc, and nickel.

Homogeneous hydride formation path in α-Zr: Molecular dynamics simulations with the charge-optimized many-body potential

DOE PAGES

Zhang, Yongfeng; Bai, Xian-Ming; Yu, Jianguo; ...

2016-06-01

A formation path for homogeneous γ hydride formation in hcp α-Zr, from solid solution to the ζ and then the γ hydride, was demonstrated using molecular static calculations and molecular dynamic simulations with the charge-optimized many-body (COMB) potential. Hydrogen has limited solubility in α-Zr. Once the solubility limit is exceeded, the stability of solid solution gives way to that of coherent hydride phases such as the ζ hydride by planar precipitation of hydrogen. At finite temperatures, the ζ hydride goes through a partial hcp-fcc transformation via 1/3 <1¯100> slip on the basal plane, and transforms into a mixture of γmore » hydride and α-Zr. In the ζ hydride, slip on the basal plane is favored thermodynamically with negligible barrier, and is therefore feasible at finite temperatures without mechanical loading. The transformation process involves slips of three equivalent shear partials, in contrast to that proposed in the literature where only a single shear partial was involved. The adoption of multiple slip partials minimizes the macroscopic shape change of embedded hydride clusters and the shear strain accumulation in the matrix, and thus reduces the overall barrier needed for homogeneous γ hydride formation. In conclusion, this formation path requires finite temperatures for hydrogen diffusion without mechanical loading. Therefore, it should be effective at the cladding operating conditions.« less

Long Term Hydrogen Vehicle Fleet Operational Assessment

DTIC Science & Technology

2011-03-21

presented in Table 2. Also included in Table 2 is the average fuel economy in miles per gallon of gasoline equivalent ( gge ) and kilometers per gge ...calculated by applying the conversion factor of one gge being equivalent to 0.997 kilograms of hydrogen [4...Number Average Fuel Economy mi/kg (km/kg) Average Fuel Economy mi/ gge (km/ gge ) 1 26.9 (43.3) 26.8 (43.1) 2 25.0 (40.2) 24.9

Towards graphane field emitters

PubMed Central

Ding, Shuyi; Li, Chi; Zhou, Yanhuai; Collins, Clare M.; Kang, Moon H.; Parmee, Richard J.; Zhang, Xiaobing; Milne, William I.; Wang, Baoping

2015-01-01

We report on the improved field emission performance of graphene foam (GF) following transient exposure to hydrogen plasma. The enhanced field emission mechanism associated with hydrogenation has been investigated using Fourier transform infrared spectroscopy, plasma spectrophotometry, Raman spectroscopy, and scanning electron microscopy. The observed enhanced electron emissionhas been attributed to an increase in the areal density of lattice defects and the formation of a partially hydrogenated, graphane-like material. The treated GF emitter demonstrated a much reduced macroscopic turn-on field (2.5 V μm–1), with an increased maximum current density from 0.21 mA cm–2 (pristine) to 8.27 mA cm–2 (treated). The treated GFs vertically orientated protrusions, after plasma etching, effectively increased the local electric field resulting in a 2.2-fold reduction in the turn-on electric field. The observed enhancement is further attributed to hydrogenation and the subsequent formation of a partially hydrogenated structured 2D material, which advantageously shifts the emitter work function. Alongside augmentation of the nominal crystallite size of the graphitic superstructure, surface bound species are believed to play a key role in the enhanced emission. The hydrogen plasma treatment was also noted to increase the emission spatial uniformity, with an approximate four times reduction in the per unit area variation in emission current density. Our findings suggest that plasma treatments, and particularly hydrogen and hydrogen-containing precursors, may provide an efficient, simple, and low cost means of realizing enhanced nanocarbon-based field emission devices via the engineered degradation of the nascent lattice, and adjustment of the surface work function. PMID:28066543

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.

Catalytic two-stage coal hydrogenation process using extinction recycle of heavy liquid fraction

DOEpatents

MacArthur, J.B.; Comolli, A.G.; McLean, J.B.

1989-10-17

A process is described for catalytic two-stage hydrogenation and liquefaction of coal with selective extinction recycle of all heavy liquid fractions boiling above a distillation cut point of about 600--750 F to produce increased yields of low-boiling hydrocarbon liquid and gas products. In the process, the particulate coal feed is slurried with a process-derived liquid solvent normally boiling above about 650 F and fed into a first stage catalytic reaction zone operated at conditions which promote controlled rate liquefaction of the coal, while simultaneously hydrogenating the hydrocarbon recycle oils. The first stage reactor is maintained at 710--800 F temperature, 1,000--4,000 psig hydrogen partial pressure, and 10-90 lb/hr per ft[sup 3] catalyst space velocity. Partially hydrogenated material withdrawn from the first stage reaction zone is passed directly to the second stage catalytic reaction zone maintained at 760--860 F temperature for further hydrogenation and hydroconversion reactions. A 600--750 F[sup +] fraction containing 0--20 W % unreacted coal and ash solids is recycled to the coal slurrying step. If desired, the cut point lower boiling fraction can be further catalytically hydrotreated. By this process, the coal feed is successively catalytically hydrogenated and hydroconverted at selected conditions, to provide significantly increased yields of desirable low-boiling hydrocarbon liquid products and minimal production of hydrocarbon gases, and no net production of undesirable heavy oils and residuum materials. 2 figs.

Catalytic two-stage coal hydrogenation process using extinction recycle of heavy liquid fraction

DOEpatents

MacArthur, James B.; Comolli, Alfred G.; McLean, Joseph B.

1989-01-01

A process for catalytic two-stage hydrogenation and liquefaction of coal with selective extinction recycle of all heavy liquid fractions boiling above a distillation cut point of about 600.degree.-750.degree. F. to produce increased yields of low-boiling hydrocarbon liquid and gas products. In the process, the particulate coal feed is slurried with a process-derived liquid solvent normally boiling above about 650.degree. F. and fed into a first stage catalytic reaction zone operated at conditions which promote controlled rate liquefaction of the coal, while simultaneously hydrogenating the hydrocarbon recycle oils. The first stage reactor is maintained at 710.degree.-800.degree. F. temperature, 1000-4000 psig hydrogen partial pressure, and 10-90 lb/hr per ft.sup.3 catalyst space velocity. Partially hydrogenated material withdrawn from the first stage reaction zone is passed directly to the second stage catalytic reaction zone maintained at 760.degree.-860.degree. F. temperature for further hydrogenation and hydroconversion reactions. A 600.degree.-750.degree. F..sup.+ fraction containing 0-20 W % unreacted coal and ash solids is recycled to the coal slurrying step. If desired, the cut point lower boiling fraction can be further catalytically hydrotreated. By this process, the coal feed is successively catalytically hydrogenated and hydroconverted at selected conditions, to provide significantly increased yields of desirable low-boiling hydrocarbon liquid products and minimal production of hydrocarbon gases, and no net production of undesirable heavy oils and residuum materials.

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

PubMed Central

Xu, Zhen-Feng; Wang, Yixuan

2011-01-01

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

Hydrogen-dominated plasma, due to silane depletion, for microcrystalline silicon deposition

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

Howling, A. A.; Sobbia, R.; Hollenstein, Ch.

2010-07-15

Plasma conditions for microcrystalline silicon deposition generally require a high flux of atomic hydrogen, relative to SiH{sub {alpha}=0{yields}3} radicals, on the growing film. The necessary dominant partial pressure of hydrogen in the plasma is conventionally obtained by hydrogen dilution of silane in the inlet flow. However, a hydrogen-dominated plasma environment can also be obtained due to plasma depletion of the silane in the gas mixture, even up to the limit of pure silane inlet flow, provided that the silane depletion is strong enough. At first sight, it may seem surprising that the composition of a strongly depleted pure silane plasmamore » consists principally of molecular hydrogen, without significant contribution from the partial pressure of silane radicals. The aim here is to bring some physical insight by means of a zero-dimensional, analytical plasma chemistry model. The model is appropriate for uniform large-area showerhead reactors, as shown by comparison with a three-dimensional numerical simulations. The SiH{sub {alpha}} densities remain very low because of their rapid diffusion and surface reactivity, contributing to film growth which is the desired scenario for efficient silane utilization. Significant SiH{sub {alpha}} densities due to poor design of reactor and gas flow, on the other hand, would result in powder formation wasting silane. Conversely, hydrogen atoms are not deposited, but recombine on the film surface and reappear as molecular hydrogen in the plasma. Therefore, in the limit of extremely high silane depletion fraction (>99.9%), the silane density falls below the low SiH{sub {alpha}} densities, but only the H radical can eventually reach significant concentrations in the hydrogen-dominated plasma.« less

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.

Side-chain conformational space analysis (SCSA): A multi conformation-based QSAR approach for modeling and prediction of protein-peptide binding affinities

NASA Astrophysics Data System (ADS)

Zhou, Peng; Chen, Xiang; Shang, Zhicai

2009-03-01

In this article, the concept of multi conformation-based quantitative structure-activity relationship (MCB-QSAR) is proposed, and based upon that, we describe a new approach called the side-chain conformational space analysis (SCSA) to model and predict protein-peptide binding affinities. In SCSA, multi-conformations (rather than traditional single-conformation) have received much attention, and the statistical average information on multi-conformations of side chains is determined using self-consistent mean field theory based upon side chain rotamer library. Thereby, enthalpy contributions (including electrostatic, steric, hydrophobic interaction and hydrogen bond) and conformational entropy effects to the binding are investigated in terms of occurrence probability of residue rotamers. Then, SCSA was applied into the dataset of 419 HLA-A*0201 binding peptides, and nonbonding contributions of each position in peptide ligands are well determined. For the peptides, the hydrogen bond and electrostatic interactions of the two ends are essential to the binding specificity, van der Waals and hydrophobic interactions of all the positions ensure strong binding affinity, and the loss of conformational entropy at anchor positions partially counteracts other favorable nonbonding effects.

Polycyclic aromatic hydrocarbons and the unidentified infrared emission bands - Auto exhaust along the Milky Way

NASA Technical Reports Server (NTRS)

Allamandola, L. J.; Tielens, A. G. G. M.; Barker, J. R.

1985-01-01

The unidentified infrared emission features (UIR bands) are attributed to a collection of partially hydrogenated, positively charged polycyclic aromatic hydrocarbons (PAHs). This assignment is based on a spectroscopic analysis of the UIR bands. Comparison of the observed interstellar 6.2 and 7.7-micron bands with the laboratory measured Raman spectrum of a collection of carbon-based particulates (auto exhaust) shows a very good agreement, supporting this identification. The infrared emission is due to relaxation from highly vibrationally and electronically excited states. The excitation is probably caused by UV photon absorption. The infrared fluorescence of one particular, highly vibrationally excited PAH (chrysene) is modeled. In this analysis the species is treated as a molecule rather than bulk material and the non-thermodynamic equilibrium nature of the emission is fully taken into account. From a comparison of the observed ratio of the 3.3 to 11.3-micron UIR bands with the model calculations, the average number of carbon atoms per molecule is estimated to be about 20. The abundance of interstellar PAHs is calculated to be about 2 x 10 to the -7th with respect to hydrogen.

Electron impact fragmentation of thymine: partial ionization cross sections for positive fragments

NASA Astrophysics Data System (ADS)

van der Burgt, Peter J. M.; Mahon, Francis; Barrett, Gerard; Gradziel, Marcin L.

2014-06-01

We have measured mass spectra for positive ions for low-energy electron impact on thymine using a reflectron time-of-flight mass spectrometer. Using computer controlled data acquisition, mass spectra have been acquired for electron impact energies up to 100 eV in steps of 0.5 eV. Ion yield curves for most of the fragment ions have been determined by fitting groups of adjacent peaks in the mass spectra with sequences of normalized Gaussians. The ion yield curves have been normalized by comparing the sum of the ion yields to the average of calculated total ionization cross sections. Appearance energies have been determined. The nearly equal appearance energies of 83 u and 55 u observed in the present work strongly indicate that near threshold the 55 u ion is formed directly by the breakage of two bonds in the ring, rather than from a successive loss of HNCO and CO from the parent ion. Likewise 54 u is not formed by CO loss from 82 u. The appearance energies are in a number of cases consistent with the loss of one or more hydrogen atoms from a heavier fragment, but 70 u is not formed by hydrogen loss from 71 u.

Removal of Oxygen from Electronic Materials by Vapor-Phase Processes

NASA Technical Reports Server (NTRS)

Palosz, Witold

1997-01-01

Thermochemical analyses of equilibrium partial pressures over oxides with and without the presence of the respective element condensed phase, and hydrogen, chalcogens, hydrogen chalcogenides, and graphite are presented. Theoretical calculations are supplemented with experimental results on the rate of decomposition and/or sublimation/vaporization of the oxides under dynamic vacuum, and on the rate of reaction with hydrogen, graphite, and chalcogens. Procedures of removal of a number of oxides under different conditions are discussed.

An unexpected semi-hydrogenation of a ligand in the complexation of 2,7-bispyridinyl-1,8-naphthyridine with Ru3(CO)12.

PubMed

Liao, Bei-Sih; Liu, Yi-Hung; Peng, Shie-Ming; Reddy, K Rajender; Liu, Shin-Hung; Chou, Pi-Tai; Liu, Shiuh-Tzung

2014-03-07

Thermal reaction of 2,7-bis(2-pyridinyl)-l,8-naphthyridine () with Ru3(CO)12 in the presence of moisture resulted in the formation of a formate-bridged diruthenium complex [(-H3)Ru2(μ-HCOO)(CO)4] (), in which the ligand was partially hydrogenated. Complex was fully characterized by spectroscopic analyses and X-ray single crystal determination. Regarding the partially reduced ligand in , it occurs through a water-gas shift type reduction. The bridging formate ligand can be substituted by other carboxylate ligands. Physical and chemical properties of the newly prepared complexes were investigated.

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

Bonthuis, Douwe Jan, E-mail: douwe.bonthuis@physics.ox.ac.uk; Mamatkulov, Shavkat I.; Netz, Roland R.

We optimize force fields for H{sub 3}O{sup +} and OH{sup −} that reproduce the experimental solvation free energies and the activities of H{sub 3}O{sup +} Cl{sup −} and Na{sup +} OH{sup −} solutions up to concentrations of 1.5 mol/l. The force fields are optimized with respect to the partial charge on the hydrogen atoms and the Lennard-Jones parameters of the oxygen atoms. Remarkably, the partial charge on the hydrogen atom of the optimized H{sub 3}O{sup +} force field is 0.8 ± 0.1|e|—significantly higher than the value typically used for nonpolarizable water models and H{sub 3}O{sup +} force fields. In contrast,more » the optimal partial charge on the hydrogen atom of OH{sup −} turns out to be zero. Standard combination rules can be used for H{sub 3}O{sup +} Cl{sup −} solutions, while for Na{sup +} OH{sup −} solutions, we need to significantly increase the effective anion-cation Lennard-Jones radius. While highlighting the importance of intramolecular electrostatics, our results show that it is possible to generate thermodynamically consistent force fields without using atomic polarizability.« less

Method for hydrocracking a heavy polynuclear hydrocarbonaceous feedstock in the presence of a molten metal halide catalyst

DOEpatents

Gorin, Everett

1981-01-01

A method for hydrocracking a heavy polynuclear hydrocarbonaceous feedstock to produce lighter hydrocarbon fuels by contacting the feedstock with hydrogen in the presence of a molten metal halide catalyst, the method comprising: mixing the feedstock with a heavy naphtha fraction which has an initial boiling point from about 100.degree. to about 160.degree. C. with a boiling point difference between the initial boiling point and the final boiling point of no more than about 50.degree. C. to produce a mixture; thereafter contacting the mixture with partially spent molten metal halide and hydrogen under temperature and pressure conditions so that the temperature is near the critical temperature of the heavy naphtha fraction; separating at least a portion of the heavy naphtha fraction and lighter hydrocarbon fuels from the partially spent molten metal halide, unreacted feedstock and reaction products; thereafter contacting the partially spent molten metal halide, unreacted feedstock and reaction products with hydrogen and fresh molten metal halide in a hydrocracking zone to produce additional lighter hydrocarbon fuels and separating at least a major portion of the lighter hydrocarbon fuels from the spent molten metal halide.

Staged Catalytic Partial Oxidation (SCPO) System - The State of Art Integrated Short Contact Time Hydrogen Generator

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

Ke Liu; Jin Ki Hong; Wei Wei

Research and development on hydrogen and syngas production have great potential in addressing the following challenges in energy arena: (1) produce more clean fuels to meet the increasing demands for clean liquid and gaseous fuels for transportation and electricity generation, (2) increase the efficiency of energy utilization for fuels and electricity production, and (3) eliminate the pollutants and decouple the link between energy utilization and greenhouse gas emissions in end-use systems [Song, 2006, Liu, Song & Subramani 2009]. In this project, GE Global Research (GEGR) collaborated with Argonne National Laboratory (ANL) and the University of Minnesota (UoMn), developed and demonstratedmore » a low cost, compact staged catalytic partial oxidation (SCPO) technology for distributed hydrogen generation. GEGR analyzed different reforming system designs, and developed the SCPO reforming system which is a unique technology staging and integrating 3 different short contact time catalysts in a single, compact reactor: catalytic partial oxidation (CPO), steam methane reforming (SMR) and water-gas shift (WGS). This integration is demonstrated via the fabrication of a prototype scale unit of each key technology. Approaches for key technical challenges of the program includes: · Analyzed different system designs · Designed the SCPO hydrogen production system · Developed highly active and sulfur tolerant CPO catalysts · Designed and built different pilot-scale reactors to demonstrate each key technology · Evaluated different operating conditions · Quantified the efficiency and cost of the system · Developed process design package (PDP) for 1500 kg H2/day distributed H2 production unit. SCPO met the Department of Energy (DOE) and GE’s cost and efficiency targets for distributed hydrogen production.« less

Estimation of hydrogen deposition velocities from 1995-2008 at Mace Head, Ireland using a simple box model and concurrent ozone depositions

NASA Astrophysics Data System (ADS)

Simmonds, P. G.; Derwent, R. G.; Manning, A. J.; Grant, A.; O'Doherty, S.; Spain, T. G.

2011-02-01

During stable nocturnal inversions with low wind speeds, we observed strong depletions of both hydrogen and ozone caused by deposition to the peat bogs in the vicinity of the Mace Head Atmospheric Research Station, Connemara, County Galway, Ireland. From these temporally correlated fluxes and using a simple box model, we have estimated the strength of the molecular hydrogen soil sink over a 14-yr period (1995-2008). Over this entire period 269 nocturnal deposition events were identified that satisfied the strict selection criteria. The average hydrogen deposition velocity determined from these events was 0.53 mm s-1, covering a range of 0.18-1.29 mm s-1, which is in agreement with the range of deposition velocities reported in the literature for similar peaty biomes. By annually averaging all of the nocturnal inversion events over the most seasonally active period from April-September we reveal a positive correlation with ambient temperature in the relative deposition velocities of hydrogen and ozone, which is not readily apparent in all of the individual events. Furthermore, average hydrogen deposition velocities and accumulated rainfall from 48 h before and during each event were to a reasonable extent anti-correlated. However, due to the large uncertainties in determining monthly mean H2 deposition velocities there is no statistically significant trend in the hydrogen deposition velocities over time.

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.

Microstructure and Hydrogen-Induced Failure Mechanisms in Fe and Ni Alloy Weldments

NASA Astrophysics Data System (ADS)

Fenske, J. A.; Robertson, I. M.; Ayer, Raghavan; Hukle, Martin; Lillig, Dan; Newbury, Brian

2012-09-01

The microstructure and fracture morphology of AISI 8630-IN625 and ASTM A182-F22-IN625 dissimilar metal weld interfaces were compared and contrasted as a function of postweld heat treatment (PWHT) duration. For both systems, the microstructure along the weld interface consisted of a coarse grain heat-affected zone in the Fe-base metal followed by discontinuous martensitic partially mixed zones and a continuous partially mixed zone on the Ni side of the fusion line. Within the partially mixed zone on the Ni side, there exists a 200-nm-wide transition zone within a 20- μm-wide planar solidification region followed by a cellular dendritic region with Nb-Mo-rich carbides decorating the dendrite boundaries. Although there were differences in the volume of the partially mixed zones, the major difference in the metal weld interfaces was the presence of M7C3 precipitates in the planar solidification region, which had formed in AISI 8630-IN625 but not in ASTM A182-F22-IN625. These precipitates make the weldment more susceptible to hydrogen embrittlement and provide a low energy fracture path between the discontinuous partially mixed zones.

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

PubMed

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

2011-02-01

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

Current Development in Treatment and Hydrogen Energy Conversion of Organic Solid Waste

NASA Astrophysics Data System (ADS)

Shin, Hang-Sik

2008-02-01

This manuscript summarized current developments on continuous hydrogen production technologies researched in Korea advanced institute of science and technology (KAIST). Long-term continuous pilot-scale operation of hydrogen producing processes fed with non-sterile food waste exhibited successful results. Experimental findings obtained by the optimization processes of growth environments for hydrogen producing bacteria, the development of high-rate hydrogen producing strategies, and the feasibility tests for real field application could contribute to the progress of fermentative hydrogen production technologies. Three major technologies such as controlling dilution rate depending on the progress of acidogenesis, maintaining solid retention time independently from hydraulic retention time, and decreasing hydrogen partial pressure by carbon dioxide sparging could enhance hydrogen production using anaerobic leaching beds reactors and anaerobic sequencing batch reactors. These findings could contribute to stable, reliable and effective performances of pilot-scale reactors treating organic wastes.

Inverted Fuel Cell: Room-Temperature Hydrogen Separation from an Exhaust Gas by Using a Commercial Short-Circuited PEM Fuel Cell without Applying any Electrical Voltage.

PubMed

Friebe, Sebastian; Geppert, Benjamin; Caro, Jürgen

2015-06-26

A short-circuited PEM fuel cell with a Nafion membrane has been evaluated in the room-temperature separation of hydrogen from exhaust gas streams. The separated hydrogen can be recovered or consumed in an in situ olefin hydrogenation when the fuel cell is operated as catalytic membrane reactor. Without applying an outer electrical voltage, there is a continuous hydrogen flux from the higher to the lower hydrogen partial pressure side through the Nafion membrane. On the feed side of the Nafion membrane, hydrogen is catalytically split into protons and electrons by the Pt/C electrocatalyst. The protons diffuse through the Nafion membrane, the electrons follow the short-circuit between the two brass current collectors. On the cathode side, protons and electrons recombine, and hydrogen is released. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Methanol from CO2 by organo-cocatalysis: CO2 capture and hydrogenation in one process step.

PubMed

Reller, Christian; Pöge, Matthias; Lißner, Andreas; Mertens, Florian O R L

2014-12-16

Carbon dioxide chemically bound to alcohol-amines was hydrogenated to methanol under retrieval of these industrially used CO2 capturing reagents. The energetics of the process can be seen as a partial cancellation of the exothermic heat of reaction of the hydrogenation with the endothermic one of the CO2 release from the capturing reagent. The process provides a means to significantly improve the energy efficiency of CO2 to methanol conversions.

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

Jain, Richa Naja, E-mail: ltprichanaja@gmail.com; Chakraborty, Brahmananda; Ramaniah, Lavanya M.

The electronic structure and hydrogen storage capability of Yttrium-doped BNNTs has been theoretically investigated using first principles density functional theory (DFT). Yttrium atom prefers the hollow site in the center of the hexagonal ring with a binding energy of 0.8048eV. Decorating by Y makes the system half-metallic and magnetic with a magnetic moment of 1.0µ{sub B}. Y decorated Boron-Nitride (8,0) nanotube can adsorb up to five hydrogen molecules whose average binding energy is computed as 0.5044eV. All the hydrogen molecules are adsorbed with an average desorption temperature of 644.708 K. Taking that the Y atoms can be placed only in alternatemore » hexagons, the implied wt% comes out to be 5.31%, a relatively acceptable value for hydrogen storage materials. Thus, this system can serve as potential hydrogen storage medium.« less

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.

2000-01-01

An apparatus and a method are disclosed for converting hydrocarbon fuel or an alcohol into hydrogen gas and carbon dioxide. The apparatus includes a first vessel having a partial oxidation reaction zone and a separate steam reforming reaction zone that is distinct from the partial oxidation reaction zone. The first vessel has a first vessel inlet at the partial oxidation reaction zone and a first vessel outlet at the steam reforming zone. The reformer also includes a helical tube extending about the first vessel. The helical tube has a first end connected to an oxygen-containing source and a second end connected to the first vessel at the partial oxidation reaction zone. Oxygen gas from an oxygen-containing source can be directed through the helical tube to the first vessel. A second vessel having a second vessel inlet and second vessel outlet is annularly disposed about the first vessel. The helical tube is disposed between the first vessel and the second vessel and gases from the first vessel can be directed through second vessel.

Acid-catalyzed hydrogenation during kerosene hydrodewaxing over H/ZSM-5

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

Longstaff, D.C.; Hanson, F.V.

1996-11-01

Hydrogen addition to the products derived from cracking kerosene over H/ZSM-5 was observed at hydrogen pressures between 4.1-8.7 MPa and at 373-390{degrees}C. At low pressures, kerosene cracking over H/ZSM-5 yielded typical cracked products: aromatics, as well as low molecular weight saturates and olefins. Endothermic reactor temperature profiles were also observed, indicative of cracking reactions. At high hydrogen partial pressures product selectivity was altered in that kerosene cracking gave high yields of low molecular weight paraffins and low yields of olefins and aromatics. Reactor temperature profiles were exothermic, indicative of hydrocracking reactions. A mechanism for acid catalyzed hydrogenation is suggested. Althoughmore » hydrogenation was not observed at lower hydrogen pressures, hydrogen proved beneficial in maintaining catalyst activity at a stable level. Lost catalyst activity was restored by maintaining the catalyst under static hydrogen at 1.4 MPa and 370{degrees}C for 16h. 36 refs., 14 figs., 3 tabs.« less

An energetic scale for equilibrium H/D fractionation factors illuminates hydrogen bond free energies in proteins

PubMed Central

Cao, Zheng; Bowie, James U

2014-01-01

Equilibrium H/D fractionation factors have been extensively employed to qualitatively assess hydrogen bond strengths in protein structure, enzyme active sites, and DNA. It remains unclear how fractionation factors correlate with hydrogen bond free energies, however. Here we develop an empirical relationship between fractionation factors and free energy, allowing for the simple and quantitative measurement of hydrogen bond free energies. Applying our empirical relationship to prior fractionation factor studies in proteins, we find: [1] Within the folded state, backbone hydrogen bonds are only marginally stronger on average in α-helices compared to β-sheets by ∼0.2 kcal/mol. [2] Charge-stabilized hydrogen bonds are stronger than neutral hydrogen bonds by ∼2 kcal/mol on average, and can be as strong as –7 kcal/mol. [3] Changes in a few hydrogen bonds during an enzyme catalytic cycle can stabilize an intermediate state by –4.2 kcal/mol. [4] Backbone hydrogen bonds can make a large overall contribution to the energetics of conformational changes, possibly playing an important role in directing conformational changes. [5] Backbone hydrogen bonding becomes more uniform overall upon ligand binding, which may facilitate participation of the entire protein structure in events at the active site. Our energetic scale provides a simple method for further exploration of hydrogen bond free energies. PMID:24501090

Thermodynamic study on the role of hydrogen during the MOVPE growth of group III nitrides

NASA Astrophysics Data System (ADS)

Koukitu, Akinori; Taki, Tetsuya; Takahashi, Naoyuki; Seki, Hisashi

1999-02-01

The role of hydrogen during the MOVPE growth of group III nitrides is investigated from a thermodynamic point of view. The effect of hydrogen is reported for the driving force for the deposition of binary nitrides as functions of growth temperature and V/III ratio. The effect of hydrogen for the InGaN growth is discussed for the vapor-solid relationship, the formation of compositional inhomogeneity and input partial pressure of the group III elements. The difference between the growth reaction of the indium containing nitrides and that of other III-V compounds is also discussed.

The solubility of hydrogen in rhodium, ruthenium, iridium and nickel.

NASA Technical Reports Server (NTRS)

Mclellan, R. B.; Oates, W. A.

1973-01-01

The temperature variation of the solubility of hydrogen in rhodium, ruthenium, iridium, and nickel in equilibrium with H2 gas at 1 atm pressure has been measured by a technique involving saturating the solvent metal with hydrogen, quenching, and analyzing in resultant solid solutions. The solubilities determined are small (atom fraction of H is in the range from 0.0005 to 0.00001, and the results are consistent with the simple quasi-regular model for dilute interstitial solid solutions. The relative partial enthalpy and excess entropy of the dissolved hydrogen atoms have been calculated from the solubility data and compared with well-known correlations between these quantities.

A novel hydrogen oxidizer amidst the sulfur-oxidizing Thiomicrospira lineage

PubMed Central

Hansen, Moritz; Perner, Mirjam

2015-01-01

Thiomicrospira species are ubiquitously found in various marine environments and appear particularly common in hydrothermal vent systems. Members of this lineage are commonly classified as sulfur-oxidizing chemolithoautotrophs. Although sequencing of Thiomicrospira crunogena's genome has revealed genes that encode enzymes for hydrogen uptake activity and for hydrogenase maturation and assembly, hydrogen uptake ability has so far not been reported for any Thiomicrospira species. We isolated a Thiomicrospira species (SP-41) from a deep sea hydrothermal vent and demonstrated that it can oxidize hydrogen. We show in vivo hydrogen consumption, hydrogen uptake activity in partially purified protein extracts and transcript abundance of hydrogenases during different growth stages. The ability of this strain to oxidize hydrogen opens up new perspectives with respect to the physiology of Thiomicrospira species that have been detected in hydrothermal vents and that have so far been exclusively associated with sulfur oxidation. PMID:25226028

Thermodynamic characterization of hydrogen interaction with iridium polyhydride complexes

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

Zidan, R.A.; Rocheleau, R.E.

1999-01-01

Hydrogen interaction with solid iridium complexes IrXH{sub 2}(PPr3{sup i}){sub 2} (X=Cl, I) was investigated. Gaseous hydrogen was found to react reversibly with solid chloro-iridium complex IrClH{sub 2}(PPr3{sup i}){sub 2} forming IrClH{sub 2}(PPr3{sup i}){sub 2}H{sub 2}. The relative partial molal enthalpy and entropy were obtained from equilibrium isotherms at different hydrogen concentrations. The decrease in entropy with increasing hydrogen concentration and the absence of plateaus in the equilibrium isotherms were consistent with a single phase solid solution with two chemical components. Hydrogen release from solid iodo-iridium complex IrIH{sub 2}(PPr3{sup i}){sub 2}H{sub 2} was not observed at temperatures up to 350 K,more » indicating stronger hydrogen bonding. {copyright} {ital 1999 Materials Research Society.}« less

Doped phosphorene for hydrogen capture: A DFT study

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Hydrogen /Hydride/-air secondary battery

NASA Technical Reports Server (NTRS)

Sarradin, J.; Bronoel, G.; Percheron-Guegan, A.; Achard, J. C.

1979-01-01

The use of metal hydrides as negative electrodes in a hydrogen-air secondary battery seems promising. However, in an unpressurized cell, more stable hydrides that LaNi5H6 must be selected. Partial substitutions of nickel by aluminium or manganese increase the stability of hydrides. Combined with an air reversible electrode, a specific energy close to 100 Wh/kg can be expected.

Case Study: Microbial Ecology and Forensics of Chinese Drywall-Elemental Sulfur Disproportionation as Primary Generator of Hydrogen Sulfide.

PubMed

Tomei Torres, Francisco A

2017-06-21

Drywall manufactured in China released foul odors attributed to volatile sulfur compounds. These included hydrogen sulfide, methyl mercaptan, and sulfur dioxide. Given that calcium sulfate is the main component of drywall, one would suspect bacterial reduction of sulfate to sulfide as the primary culprit. However, when the forensics, i.e., the microbial and chemical signatures left in the drywall, are studied, the evidence suggests that, rather than dissimilatory sulfate reduction, disproportionation of elemental sulfur to hydrogen sulfide and sulfate was actually the primary cause of the malodors. Forensic evidence suggests that the transformation of elemental sulfur went through several abiological and microbial stages: (1) partial volatilization of elemental sulfur during the manufacture of plaster of Paris, (2) partial abiotic disproportionation of elemental sulfur to sulfide and thiosulfate during the manufacture of drywall, (3) microbial disproportionation of elemental sulfur to sulfide and sulfate resulting in neutralization of all alkalinity, and acidification below pH 4, (4) acidophilic microbial disproportionation of elemental sulfur to sulfide and sulfuric acid, and (5) hydrogen sulfide volatilization, coating of copper fixtures resulting in corrosion, and oxidation to sulfur dioxide.

A theoretical study on the mechanism of hydrogen evolution on non-precious partially oxidized nickel-based heterostructures for fuel cells.

PubMed

Pan, Xinju; Zhou, Gang

2018-03-28

It is desirable, yet challenging, to utilize non-precious metals instead of noble-metals as efficient catalysts in the renewable energy manufacturing industry. Using first principles calculations, we study the structural characteristics of partially oxidized nickel-based nanoheterostructures (NiO/Ni NHSs), and the interfacial effects on hydrogen evolution. The origin of the enhanced hydrogen evolution performance is discussed at the microscopic level. This study identifies two types of active sites of the exposed Ni surface available for the hydrogen evolution reaction (HER). One is the hcp-hollow sites near the perimeter boundary that exhibit a more excellent HER performance than platinum (Pt), and the other the second nearest neighbor fcc-hollow sites away from the boundary that exhibit a similar performance to Pt. The interfacial effects result from the competitive charge transfer between NiO and Ni surfaces in NHSs, and enhance the reactivity of NiO/Ni NHSs by shifting the d-states of surface atoms down in energy. The illumination of the mechanism would be helpful for the design of more efficient and cheap transition metal-based catalysts.

Sequential desorption energy of hydrogen from nickel clusters

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

Deepika,; Kumar, Rakesh, E-mail: rakesh@iitrpr.ac.in; R, Kamal Raj.

2015-06-24

We report reversible Hydrogen adsorption on Nickel clusters, which act as a catalyst for solid state storage of Hydrogen on a substrate. First-principles technique is employed to investigate the maximum number of chemically adsorbed Hydrogen molecules on Nickel cluster. We observe a maximum of four Hydrogen molecules adsorbed per Nickel atom, but the average Hydrogen molecules adsorbed per Nickel atom decrease with cluster size. The dissociative chemisorption energy per Hydrogen molecule and sequential desorption energy per Hydrogen atom on Nickel cluster is found to decrease with number of adsorbed Hydrogen molecules, which on optimization may help in economical storage andmore » regeneration of Hydrogen as a clean energy carrier.« less

The Feasibility of Formation and Kinetics of NMR Signal Amplification by Reversible Exchange (SABRE) at High Magnetic Field (9.4 T)

PubMed Central

2015-01-01

1H NMR signal amplification by reversible exchange (SABRE) was observed for pyridine and pyridine-d5 at 9.4 T, a field that is orders of magnitude higher than what is typically utilized to achieve the conventional low-field SABRE effect. In addition to emissive peaks for the hydrogen spins at the ortho positions of the pyridine substrate (both free and bound to the metal center), absorptive signals are observed from hyperpolarized orthohydrogen and Ir-complex dihydride. Real-time kinetics studies show that the polarization build-up rates for these three species are in close agreement with their respective 1H T1 relaxation rates at 9.4 T. The results suggest that the mechanism of the substrate polarization involves cross-relaxation with hyperpolarized species in a manner similar to the spin-polarization induced nuclear Overhauser effect. Experiments utilizing pyridine-d5 as the substrate exhibited larger enhancements as well as partial H/D exchange for the hydrogen atom in the ortho position of pyridine and concomitant formation of HD molecules. While the mechanism of polarization enhancement does not explicitly require chemical exchange of hydrogen atoms of parahydrogen and the substrate, the partial chemical modification of the substrate via hydrogen exchange means that SABRE under these conditions cannot rigorously be referred to as a non-hydrogenative parahydrogen induced polarization process. PMID:24528143

The feasibility of formation and kinetics of NMR signal amplification by reversible exchange (SABRE) at high magnetic field (9.4 T).

PubMed

Barskiy, Danila A; Kovtunov, Kirill V; Koptyug, Igor V; He, Ping; Groome, Kirsten A; Best, Quinn A; Shi, Fan; Goodson, Boyd M; Shchepin, Roman V; Coffey, Aaron M; Waddell, Kevin W; Chekmenev, Eduard Y

2014-03-05

(1)H NMR signal amplification by reversible exchange (SABRE) was observed for pyridine and pyridine-d5 at 9.4 T, a field that is orders of magnitude higher than what is typically utilized to achieve the conventional low-field SABRE effect. In addition to emissive peaks for the hydrogen spins at the ortho positions of the pyridine substrate (both free and bound to the metal center), absorptive signals are observed from hyperpolarized orthohydrogen and Ir-complex dihydride. Real-time kinetics studies show that the polarization build-up rates for these three species are in close agreement with their respective (1)H T1 relaxation rates at 9.4 T. The results suggest that the mechanism of the substrate polarization involves cross-relaxation with hyperpolarized species in a manner similar to the spin-polarization induced nuclear Overhauser effect. Experiments utilizing pyridine-d5 as the substrate exhibited larger enhancements as well as partial H/D exchange for the hydrogen atom in the ortho position of pyridine and concomitant formation of HD molecules. While the mechanism of polarization enhancement does not explicitly require chemical exchange of hydrogen atoms of parahydrogen and the substrate, the partial chemical modification of the substrate via hydrogen exchange means that SABRE under these conditions cannot rigorously be referred to as a non-hydrogenative parahydrogen induced polarization process.

Structure and energetics of extended defects in ice Ih

NASA Astrophysics Data System (ADS)

Silva Junior, Domingos L.; de Koning, Maurice

2012-01-01

We consider the molecular structure and energetics of extended defects in proton-disordered hexagonal ice Ih. Using plane-wave density functional theory (DFT) calculations, we compute the energetics of stacking faults and determine the structure of the 30∘ and 90∘ partial dislocations on the basal plane. Consistent with experimental data, the formation energies of all fully reconstructed stacking faults are found to be very low. This is consistent with the idea that basal-plane glide dislocations in ice Ih are dissociated into partial dislocations separated by an area of stacking fault. For both types of partial dislocation we find a strong tendency toward core reconstruction through pairwise hydrogen-bond reformation. In the case of the 30∘ dislocation, the pairwise hydrogen-bond formation leads to a period-doubling core structure equivalent to that seen in zinc-blende semiconductor crystals. For the 90∘ partial we consider two possible core reconstructions, one in which the periodicity of the structure along the core remains unaltered and another in which it is doubled. The latter is preferred, although the energy difference between both is rather small, so that a coexistence of both reconstructions appears plausible. Our results imply that a mobility theory for dislocations on the basal plane in ice Ih should be based on the idea of reconstructed partial dislocations.

Flight Hydrogen Sensor for use in the ISS Oxygen Generation Assembly

NASA Technical Reports Server (NTRS)

MSadoques, George, Jr.; Makel, Darby B.

2005-01-01

This paper provides a description of the hydrogen sensor Orbital Replacement Unit (ORU) used on the Oxygen Generation Assembly (OGA), to be operated on the International Space Station (ISS). The hydrogen sensor ORU is being provided by Makel Engineering, Inc. (MEI) to monitor the oxygen outlet for the presence of hydrogen. The hydrogen sensor ORU is a triple redundant design where each sensor converts raw measurements to actual hydrogen partial pressure that is reported to the OGA system controller. The signal outputs are utilized for system shutdown in the event that the hydrogen concentration in the oxygen outlet line exceeds the specified shutdown limit. Improvements have been made to the Micro-Electro-Mechanical Systems (MEMS) based sensing element, screening, and calibration process to meet OGA operating requirements. Two flight hydrogen sensor ORUs have successfully completed the acceptance test phase. This paper also describes the sensor s performance during acceptance testing, additional tests planned to extend the operational performance calibration cycle, and integration with the OGA system.

Determination of the gaseous hydrogen ductile-brittle transition in copper-nickel alloys

NASA Technical Reports Server (NTRS)

Parr, R. A.; Johnston, M. H.; Davis, J. H.; Oh, T. K.

1985-01-01

A series of copper-nickel alloys were fabricated, notched tensile specimens machined for each alloy, and the specimens tested in 34.5 MPa hydrogen and in air. A notched tensile ratio was determined for each alloy and the hydrogen environment embrittlement (HEE) determined for the alloys of 47.7 weight percent nickel to 73.5 weight percent nickel. Stacking fault probability and stacking fault energies were determined for each alloy using the x ray diffraction line shift and line profiles technique. Hydrogen environment embrittlement was determined to be influenced by stacking fault energies; however, the correlation is believed to be indirect and only partially responsible for the HEE behavior of these alloys.

Proton conducting ceramic membranes for hydrogen separation

DOEpatents

Elangovan, S [South Jordan, UT; Nair, Balakrishnan G [Sandy, UT; Small, Troy [Midvale, UT; Heck, Brian [Salt Lake City, UT

2011-09-06

A multi-phase proton conducting material comprising a proton-conducting ceramic phase and a stabilizing ceramic phase. Under the presence of a partial pressure gradient of hydrogen across the membrane or under the influence of an electrical potential, a membrane fabricated with this material selectively transports hydrogen ions through the proton conducting phase, which results in ultrahigh purity hydrogen permeation through the membrane. The stabilizing ceramic phase may be substantially structurally and chemically identical to at least one product of a reaction between the proton conducting phase and at least one expected gas under operating conditions of a membrane fabricated using the material. In a barium cerate-based proton conducting membrane, one stabilizing phase is ceria.

Lactose Intolerance (For Parents)

MedlinePlus

... Doctors usually diagnose lactose intolerance through a simple hydrogen breath test. A person blows into a tube ... there is a higher than average level of hydrogen and methane in the breath. That's because undigested ...

40 CFR 600.311-12 - Determination of values for fuel economy labels.

Code of Federal Regulations, 2014 CFR

2014-07-01

... value from paragraph (a) of this section, in miles per kW-hour. (4) For hydrogen fuel cell vehicles... for hydrogen fuel cell vehicles. MPG = The combined fuel economy value from paragraph (a) of this... hydrogen fuel cell vehicles. Average Annual Miles = The estimated annual mileage figure provided by EPA, in...

40 CFR 600.311-12 - Determination of values for fuel economy labels.

Code of Federal Regulations, 2013 CFR

2013-07-01

... value from paragraph (a) of this section, in miles per kW-hour. (4) For hydrogen fuel cell vehicles... for hydrogen fuel cell vehicles. MPG = The combined fuel economy value from paragraph (a) of this... hydrogen fuel cell vehicles. Average Annual Miles = The estimated annual mileage figure provided by EPA, in...

Numerical Investigation of the Hydrogen Jet Flammable Envelope Extent with Account for Unsteady Phenomena

NASA Astrophysics Data System (ADS)

Chernyavsky, Boris; Benard, Pierre

2010-11-01

An important aspect of safety analysis in hydrogen applications is determination of the extent of flammable gas envelope in case of hydrogen jet release. Experimental investigations had shown significant disagreements between the extent of average flammable envelope predicted by steady-state numerical methods, and the region observed to support ignition, with proposed cause being non-steady jet phenomena resulting in significant variations of instantaneous gas concentration and velocity fields in the jet. In order to investigate the influence of these transient phenomena, a numerical investigation of hydrogen jet at low Mach number had been performed using unsteady Large Eddy Simulation. Instantaneous hydrogen concentration and velocity fields were monitored to determine instantaneous flammable envelope. The evolution of the instantaneous fields, including the development of the turbulence structures carrying hydrogen, their extent and frequency, and their relation with averaged fields had been characterized. Simulation had shown significant variability of the flammable envelope, with jet flapping causing shedding of large scale rich and lean gas pockets from the main jet core, which persist for significant times and substantially alter the extent of flammability envelope.

Dependence of N-polar GaN rod morphology on growth parameters during selective area growth by MOVPE

NASA Astrophysics Data System (ADS)

Li, Shunfeng; Wang, Xue; Mohajerani, Matin Sadat; Fündling, Sönke; Erenburg, Milena; Wei, Jiandong; Wehmann, Hergo-Heinrich; Waag, Andreas; Mandl, Martin; Bergbauer, Werner; Strassburg, Martin

2013-02-01

Selective area growth of GaN rods by metalorganic vapor phase epitaxy has attracted great interest due to its novel applications in optoelectronic and photonics. In this work, we will present the dependence of GaN rod morphology on various growth parameters i.e. growth temperature, H2/N2 carrier gas concentration, V/III ratio, total carrier gas flow and reactor pressure. It is found that higher growth temperature helps to increase the aspect ratio of the rods, but reduces the height homogeneity. Furthermore, H2/N2 carrier gas concentration is found to be a critical factor to obtain vertical rod growth. Pure nitrogen carrier gas leads to irregular growth of GaN structure, while an increase of hydrogen carrier gas results in vertical GaN rod growth. Higher hydrogen carrier gas concentration also reduces the diameter and enhances the aspect of the GaN rods. Besides, increase of V/III ratio causes reduction of the aspect ratio of N-polar GaN rods, which could be explained by the relatively lower growth rate on (000-1) N-polar top surface when supplying more ammonia. In addition, an increase of the total carrier gas flow leads to a decrease in the diameter and the average volume of GaN rods. These phenomena are tentatively explained by the change of partial pressure of the source materials and boundary layer thickness in the reactor. Finally, it is shown that the average volume of the N-polar GaN rods keeps a similar value for a reactor pressure PR of 66 and 125 mbar, while an incomplete filling of the pattern opening is observed with PR of 250 mbar. Room temperature photoluminescence spectrum of the rods is also briefly discussed.

Dual organism design cycle reveals small subunit substitutions that improve [NiFe] hydrogenase hydrogen evolution.

PubMed

Yonemoto, Isaac T; Matteri, Christopher W; Nguyen, Thao Amy; Smith, Hamilton O; Weyman, Philip D

2013-07-02

Photosynthetic microorganisms that directly channel solar energy to the production of molecular hydrogen are a potential future biofuel system. Building such a system requires installation of a hydrogenase in the photosynthetic organism that is both tolerant to oxygen and capable of hydrogen production. Toward this end, we have identified the [NiFe] hydrogenase from the marine bacterium Alteromonas macleodii "Deep ecotype" that is able to be heterologously expressed in cyanobacteria and has tolerance to partial oxygen. The A. macleodii enzyme shares sequence similarity with the uptake hydrogenases that favor hydrogen uptake activity over hydrogen evolution. To improve hydrogen evolution from the A. macleodii hydrogenase, we examined the three Fe-S clusters found in the small subunit of many [NiFe] uptake hydrogenases that presumably act as a molecular wire to guide electrons to or from the active site of the enzyme. Studies by others altering the medial cluster of a Desulfovibrio fructosovorans hydrogenase from 3Fe-4S to 4Fe-4S resulted in two-fold improved hydrogen evolution activity. We adopted a strategy of screening for improved hydrogenase constructs using an Escherichia coli expression system before testing in slower growing cyanobacteria. From the A. macleodii enzyme, we created a mutation in the gene encoding the hydrogenase small subunit that in other systems is known to convert the 3Fe-4S medial cluster to 4Fe-4S. The medial cluster substitution did not improve the hydrogen evolution activity of our hydrogenase. However, modifying both the medial cluster and the ligation of the distal Fe-S cluster improved in vitro hydrogen evolution activity relative to the wild type hydrogenase by three- to four-fold. Other properties of the enzyme including thermostability and tolerance to partial oxygen did not appear to be affected by the substitutions. Our results show that substitution of amino acids altering the ligation of Fe-S clusters in the A. macleodii [NiFe] uptake hydrogenase resulted in increased hydrogen evolution activity. This activity can be recapitulated in multiple host systems and with purified protein. These results validate the approach of using an E. coli-cyanobacteria shuttle system for enzyme expression and improvement.

Positron depth profiling of the structural and electronic structure transformations of hydrogenated Mg-based thin films

NASA Astrophysics Data System (ADS)

Eijt, S. W. H.; Kind, R.; Singh, S.; Schut, H.; Legerstee, W. J.; Hendrikx, R. W. A.; Svetchnikov, V. L.; Westerwaal, R. J.; Dam, B.

2009-02-01

We report positron depth-profiling studies on the hydrogen sorption behavior and phase evolution of Mg-based thin films. We show that the main changes in the depth profiles resulting from the hydrogenation to the respective metal hydrides are related to a clear broadening in the observed electron momentum densities in both Mg and Mg2Ni films. This shows that positron annihilation methods are capable of monitoring these metal-to-insulator transitions, which form the basis for important applications of these types of films in switchable mirror devices and hydrogen sensors in a depth-sensitive manner. Besides, some of the positrons trap at the boundaries of columnar grains in the otherwise nearly vacancy-free Mg films. The combination of positron annihilation and x-ray diffraction further shows that hydrogen loading at elevated temperatures, in the range of 480-600 K, leads to a clear Pd-Mg alloy formation of the Pd catalyst cap layer. At the highest temperatures, the hydrogenation induces a partial delamination of the ˜5 nm thin capping layer, as sensitively monitored by positron depth profiling of the fraction of ortho-positronium formed at interface with the cap layer. The delamination effectively blocks the hydrogen cycling. In Mg-Si bilayers, we investigated the reactivity upon hydrogen loading and heat treatments near 480 K, which shows that Mg2Si formation is fast relative to MgH2. The combination of positron depth profiling and transmission electron microscopy shows that hydrogenation promotes a complete conversion to Mg2Si for this destabilized metal hydride system, while a partially unreacted, Mg-rich amorphous prelayer remains on top of Mg2Si after a single heat treatment in an inert gas environment. Thin film studies indicate that the difficulty of rehydrogenation of Mg2Si is not primarily the result from slow hydrogen dissociation at surfaces, but is likely hindered by the presence of a barrier for removal of Mg from the readily formed Mg2Si.

Apertured averaged scintillation of fully and partially coherent Gaussian, annular Gaussian, flat toped and dark hollow beams

NASA Astrophysics Data System (ADS)

Eyyuboğlu, Halil T.

2015-03-01

Apertured averaged scintillation requires the evaluation of rather complicated irradiance covariance function. Here we develop a much simpler numerical method based on our earlier introduced semi-analytic approach. Using this method, we calculate aperture averaged scintillation of fully and partially coherent Gaussian, annular Gaussian flat topped and dark hollow beams. For comparison, the principles of equal source beam power and normalizing the aperture averaged scintillation with respect to received power are applied. Our results indicate that for fully coherent beams, upon adjusting the aperture sizes to capture 10 and 20% of the equal source power, Gaussian beam needs the largest aperture opening, yielding the lowest aperture average scintillation, whilst the opposite occurs for annular Gaussian and dark hollow beams. When assessed on the basis of received power normalized aperture averaged scintillation, fixed propagation distance and aperture size, annular Gaussian and dark hollow beams seem to have the lowest scintillation. Just like the case of point-like scintillation, partially coherent beams will offer less aperture averaged scintillation in comparison to fully coherent beams. But this performance improvement relies on larger aperture openings. Upon normalizing the aperture averaged scintillation with respect to received power, fully coherent beams become more advantageous than partially coherent ones.

Direct numerical simulation of turbulent H2-O2 combustion using reduced chemistry

NASA Technical Reports Server (NTRS)

Montgomery, Christopher J.; Kosaly, George; Riley, James J.

1993-01-01

Results of direct numerical simulations of hydrogen-oxygen combustion using a partial-equilibrium chemistry scheme in constant density, decaying, isotropic turbulence are reported. The simulations qualitatively reproduce many features of experimental results, such as superequilibrium radical species mole fractions, with temperature and major species mole fractions closer to chemical equilibrium. It was also observed that the peak reaction rates occur in narrow zones where the stoichiometric surface intersects regions of high scalar dissipation, as might be expected for combustion conditions close to chemical equilibrium. Another finding was that high OH mole fraction correspond more closely to the stoichiometric surface than to areas of high reaction rate for conditions of the simulations. Simulation results were compared to predictions of the Conditional Moment Closure model. This model was found to give good results for all quantities of interest when the conditionally averaged scalar dissipation was used in the prediction. When the nonconditioned average dissipation was used, the predictions compared well to the simulations for most of the species and temperature, but not for the reaction rate. The comparison would be expected to improve for higher Reynolds number flows, however.

Research on High Sensitive D-Shaped FBG Hydrogen Sensors in Power Transformer Oil

PubMed Central

Luo, Ying-Ting; Wang, Hong-Bin; Ma, Guo-Ming; Song, Hong-Tu; Li, Chengrong; Jiang, Jun

2016-01-01

Dissolved hydrogen is a symbol gas decomposed by power transformer oil for electrical faults such as overheat or partial discharges. A novel D-shaped fiber Bragg grating (D-FBG) sensor is herein proposed and was fabricated with magnetron sputtering to measure the dissolved hydrogen concentration in power transformer oil in this paper. Different from the RI (refractive index)-based effect, D-FBG in this case is sensitive to curvature caused by stress from sensing coating, leading to Bragg wavelength shifts accordingly. The relationship between the D-FBG wavelength shift and dissolved hydrogen concentration in oil was measured experimentally in the laboratory. The detected sensitivity could be as high as 1.96 μL/L at every 1-pm wavelength shift. The results proved that a simple, polished FBG-based hydrogen sensor provides a linear measuring characteristic in the range of low hydrogen concentrations in transformer oil. Moreover, the stable hydrogen sensing performance was investigated by X-ray diffraction analysis. PMID:27782034

Research on High Sensitive D-Shaped FBG Hydrogen Sensors in Power Transformer Oil.

PubMed

Luo, Ying-Ting; Wang, Hong-Bin; Ma, Guo-Ming; Song, Hong-Tu; Li, Chengrong; Jiang, Jun

2016-10-04

Dissolved hydrogen is a symbol gas decomposed by power transformer oil for electrical faults such as overheat or partial discharges. A novel D-shaped fiber Bragg grating (D-FBG) sensor is herein proposed and was fabricated with magnetron sputtering to measure the dissolved hydrogen concentration in power transformer oil in this paper. Different from the RI (refractive index)-based effect, D-FBG in this case is sensitive to curvature caused by stress from sensing coating, leading to Bragg wavelength shifts accordingly. The relationship between the D-FBG wavelength shift and dissolved hydrogen concentration in oil was measured experimentally in the laboratory. The detected sensitivity could be as high as 1.96 μL/L at every 1-pm wavelength shift. The results proved that a simple, polished FBG-based hydrogen sensor provides a linear measuring characteristic in the range of low hydrogen concentrations in transformer oil. Moreover, the stable hydrogen sensing performance was investigated by X-ray diffraction analysis.

Understanding the Sequence Preference of Recurrent RNA Building Blocks using Quantum Chemistry: The Intrastrand RNA Dinucleotide Platform.

PubMed

Mládek, Arnošt; Sponer, Judit E; Kulhánek, Petr; Lu, Xiang-Jun; Olson, Wilma K; Sponer, Jiřĺ

2012-01-10

Folded RNA molecules are shaped by an astonishing variety of highly conserved noncanonical molecular interactions and backbone topologies. The dinucleotide platform is a widespread recurrent RNA modular building submotif formed by the side-by-side pairing of bases from two consecutive nucleotides within a single strand, with highly specific sequence preferences. This unique arrangement of bases is cemented by an intricate network of noncanonical hydrogen bonds and facilitated by a distinctive backbone topology. The present study investigates the gas-phase intrinsic stabilities of the three most common RNA dinucleotide platforms - 5'-GpU-3', ApA, and UpC - via state-of-the-art quantum-chemical (QM) techniques. The mean stability of base-base interactions decreases with sequence in the order GpU > ApA > UpC. Bader's atoms-in-molecules analysis reveals that the N2(G)…O4(U) hydrogen bond of the GpU platform is stronger than the corresponding hydrogen bonds in the other two platforms. The mixed-pucker sugar-phosphate backbone conformation found in most GpU platforms, in which the 5'-ribose sugar (G) is in the C2'-endo form and the 3'-sugar (U) in the C3'-endo form, is intrinsically more stable than the standard A-RNA backbone arrangement, partially as a result of a favorable O2'…O2P intra-platform interaction. Our results thus validate the hypothesis of Lu et al. (Lu Xiang-Jun, et al. Nucleic Acids Res. 2010, 38, 4868-4876), that the superior stability of GpU platforms is partially mediated by the strong O2'…O2P hydrogen bond. In contrast, ApA and especially UpC platform-compatible backbone conformations are rather diverse and do not display any characteristic structural features. The average stabilities of ApA and UpC derived backbone conformers are also lower than those of GpU platforms. Thus, the observed structural and evolutionary patterns of the dinucleotide platforms can be accounted for, to a large extent, by their intrinsic properties as described by modern QM calculations. In contrast, we show that the dinucleotide platform is not properly described in the course of atomistic explicit-solvent simulations. Our work also gives methodological insights into QM calculations of experimental RNA backbone geometries. Such calculations are inherently complicated by rather large data and refinement uncertainties in the available RNA experimental structures, which often preclude reliable energy computations.

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.

Method and apparatus for regenerating cold traps within liquid-metal systems

DOEpatents

McKee, Jr., John M.

1976-01-01

Oxide and hydride impurities of a liquid metal such as sodium are removed from a cold trap by heating to a temperature at which the metal hydroxide is stable in a molten state. The partial pressure of hydrogen within the system is measured to determine if excess hydride or oxide is present. Excess hydride is removed by venting hydrogen gas while excess oxide can be converted to molten hydroxide through the addition of hydrogen. The resulting, molten hydroxide is drained from the trap which is then returned to service at cold trap temperatures within the liquid-metal system.

Low cycle fatigue properties of MAR-M-246 Hf in hydrogen. [a cast nickel-base alloy

NASA Technical Reports Server (NTRS)

Warren, J. R.

1979-01-01

The transverse, low cycle fatigue properties were determined for directionally solidified and single crystal samples of a cast nickel-base alloy proposed for use in space propulsion systems in pure or partial high pressure hydrogen environments at elevated temperatures. The test temperature was 760 C (1400F) and the pressure of the gaseous hydrogen was 34.5 MPa (5000 psig). Low cycle fatique life was established by strain controlled testing using smooth specimens and a servohydraulic closed-loop test machine modified with a high pressure environmental chamber. Results and conclusions are discussed.

76 FR 18407 - Standards of Performance for New Stationary Sources and Emissions Guidelines for Existing Sources...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-04-04

... removing extraneous text from the hydrogen chloride emissions limit for large hospital/medical/infectious.../dibenzofurans, carbon monoxide, nitrogen oxides (NO X ), hydrogen chloride (HCl), and sulfur dioxide (SO 2...\\ dscf). Hydrogen chloride ppmv or percent 100 or 93% 100 or 93% 100 or 93% 3-run average (1- EPA...

Adsorption and Dissociation of Molecular Hydrogen on the (0001) Surface of DHCP Americium

NASA Astrophysics Data System (ADS)

Dholabhai, Pratik; Ray, Asok

2009-03-01

Hydrogen molecule adsorption on the (0001) surface of double hexagonal closed packed americium has been studied in detail within the framework of density functional theory. Weak molecular hydrogen adsorptions were observed. The most stable configuration corresponded to a Hor2 approach molecular adsorption at the one-fold top site where the molecule's approach is perpendicular to a lattice vector. Adsorption energies and adsorption geometries for different adsorption sites will be discussed. The change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the hydrogen molecule will be discussed. Reaction barrier for the dissociation of hydrogen molecule will be presented. The implications of adsorption on Am 5f electron localization-delocalization will be summarized.

Simultaneous hydrogen utilization and in situ biogas upgrading in an anaerobic reactor.

PubMed

Luo, Gang; Johansson, Sara; Boe, Kanokwan; Xie, Li; Zhou, Qi; Angelidaki, Irini

2012-04-01

The possibility of converting hydrogen to methane and simultaneous upgrading of biogas was investigated in both batch tests and fully mixed biogas reactor, simultaneously fed with manure and hydrogen. Batch experiments showed that hydrogen could be converted to methane by hydrogenotrophic methanogenesis with conversion of more than 90% of the consumed hydrogen to methane. The hydrogen consumption rates were affected by both P(H₂) (hydrogen partial pressure) and mixing intensity. Inhibition of propionate and butyrate degradation by hydrogen (1 atm) was only observed under high mixing intensity (shaking speed 300 rpm). Continuous addition of hydrogen (flow rate of 28.6 mL/(L/h)) to an anaerobic reactor fed with manure, showed that more than 80% of the hydrogen was utilized. The propionate and butyrate level in the reactor was not significantly affected by the hydrogen addition. The methane production rate of the reactor with H₂ addition was 22% higher, compared to the control reactor only fed with manure. The CO₂ content in the produced biogas was only 15%, while it was 38% in the control reactor. However, the addition of hydrogen resulted in increase of pH (from 8.0 to 8.3) due to the consumption of bicarbonate, which subsequently caused slight inhibition of methanogenesis. Copyright © 2011 Wiley Periodicals, Inc.

Direct Calculation of the Scattering Amplitude Without Partial Wave Decomposition. III; Inclusion of Correlation Effects

NASA Technical Reports Server (NTRS)

Shertzer, Janine; Temkin, Aaron

2007-01-01

In the first two papers in this series, we developed a method for studying electron-hydrogen scattering that does not use partial wave analysis. We constructed an ansatz for the wave function in both the static and static exchange approximations and calculated the full scattering amplitude. Here we go beyond the static exchange approximation, and include correlation in the wave function via a modified polarized orbital. This correlation function provides a significant improvement over the static exchange approximation: the resultant elastic scattering amplitudes are in very good agreement with fully converged partial wave calculations for electron-hydrogen scattering. A fully variational modification of this approach is discussed in the conclusion of the article Popular summary of Direct calculation of the scattering amplitude without partial wave expansion. III ....." by J. Shertzer and A. Temkin. In this paper we continue the development of In this paper we continue the development of a new approach to the way in which researchers have traditionally used to calculate the scattering cross section of (low-energy) electrons from atoms. The basic mathematical problem is to solve the Schroedinger Equation (SE) corresponding the above physical process. Traditionally it was always the case that the SE was reduced to a sequence of one-dimensional (ordinary) differential equations - called partial waves which were solved and from the solutions "phase shifts" were extracted, from which the scattering cross section was calculated.

Supramolecular hydrogen-bonding networks in bis(adeninium) phthalate phthalic acid 1.45-hydrate.

PubMed

Sridhar, Balasubramanian; Ravikumar, Krishnan

2007-04-01

In the title compound, 2C(5)H(6)N(5)(+).C(8)H(4)O(4)(2-).C(8)H(6)O(4).1.45H(2)O, the asymmetric unit comprises two adeninium cations, two half phthalate anions with crystallographic C(2) symmetry, one neutral phthalic acid molecule, and one fully occupied and one partially occupied site (0.45) for water molecules. The adeninium cations form N-H...O hydrogen bonds with the phthalate anions. The cations also form infinite one-dimensional polymeric ribbons via N-H...N interactions. In the crystal packing, hydrogen-bonded columns of cations, anions and phthalate anions extend parallel to the c axis. The water molecules crosslink adjacent columns into hydrogen-bonded layers.

77 FR 64737 - Partial Approval and Partial Disapproval of Air Quality State Implementation Plans; Nevada...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-23

... standard was set at 15 micrograms per cubic meter ([mu]g/m\\3\\), based on the 3-year average of annual... 2.5 standard was set at 65 [mu]g/m\\3\\, based on the 3- year average of the 98th percentile of 24... partially approve the submittal based on EPA's independent evaluation of Nevada's impact on receptor states...

Growth of lodgepole pine stands and its relation to mountain pine beetle susceptibility

Treesearch

S.A. Mata; J.M. Schmid; W.K. Olsen

2003-01-01

Periodic diameter and basal area growth were determined for partially cut stands of lodgepole pine at five locations over approximately 10 year periods. After cutting, average diameters in the partially cut plots generally increased by 0.8 inches or more, while average diameter in the uncut controls increased by 0.6 inches or less. Diameter growth in the partially cut...

Partial Wave Dispersion Relations: Application to Electron-Atom Scattering

NASA Technical Reports Server (NTRS)

Temkin, A.; Drachman, Richard J.

1999-01-01

In this Letter we propose the use of partial wave dispersion relations (DR's) as the way of solving the long-standing problem of correctly incorporating exchange in a valid DR for electron-atom scattering. In particular a method is given for effectively calculating the contribution of the discontinuity and/or poles of the partial wave amplitude which occur in the negative E plane. The method is successfully tested in three cases: (i) the analytically solvable exponential potential, (ii) the Hartree potential, and (iii) the S-wave exchange approximation for electron-hydrogen scattering.

Preparation and X-Ray diffraction studies of curium hydrides

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

Gibson, J.K.; Maire, R.G.

Curium hydrides were prepared by reaction of curium-248 metal with hydrogen and characterized by X-ray powder diffraction. Several of the syntheses resulted in a hexagonal compound with average lattice parameters of a/sub 0/ = 0.3769(8) nm and c/sub 0/ = 0.6732(12) nm. These products are considere to be CmH/sub 3//sup -//sub 8/ by analogy with the behavior of lanthanide-hydrogen and lighter actinide-hydrogen systems. Face-centered cubic products with an average lattice parameter of a/sub 0/ = 0.5322(4) nm were obtained from other curium hydride preparations. This parameter is slightly smaller than that reported previously for cubic curium dihydride, CmH /SUB 2-x/more » (B.M. Bansal and D. Damien. Inorg. Nucl. Chem. Lett. 6 603, 1970). The present results established a continuation of typical heavy trivalent lanthanidelike behavior of the transuranium actinide-hydrogen systems through curium.« less

Preparation and X-ray diffraction studies of curium hydrides

NASA Astrophysics Data System (ADS)

Gibson, J. K.; Haire, R. G.

1985-10-01

Curium hydrides were prepared by reaction of curium-248 metal with hydrogen and characterized by X-ray powder diffraction. Several of the syntheses resulted in a hexagonal compound with average lattice parameters of a0 = 0.3769(8) nm and c0 = 0.6732(12) nm. These products are considered to be CmH 3-δ by analogy with the behavior of lanthanide-hydrogen and lighter actinide-hydrogen systems. Face-centered cubic products with an average lattice parameter of a0 = 0.5322(4) nm were obtained from other curium hydride preparations. This parameter is slightly smaller than that reported previously for cubic curium dihydride, CmH 2+ x (B. M. Bansal and D. Damien, Inorg. Nucl. Chem. Lett., 6, 603, 1970). The present results established a continuation of typical heavy trivalent lanthanide-like behavior of the transuranium actinide-hydrogen systems through curium.

Determination of Backbone Amide Hydrogen Exchange Rates of Cytochrome c Using Partially Scrambled Electron Transfer Dissociation Data

NASA Astrophysics Data System (ADS)

Hamuro, Yoshitomo; E, Sook Yen

2018-05-01

The technological goal of hydrogen/deuterium exchange-mass spectrometry (HDX-MS) is to determine backbone amide hydrogen exchange rates. The most critical challenge to achieve this goal is obtaining the deuterium incorporation in single-amide resolution, and gas-phase fragmentation may provide a universal solution. The gas-phase fragmentation may generate the daughter ions which differ by a single amino acid and the difference in deuterium incorporations in the two analogous ions can yield the deuterium incorporation at the sub-localized site. Following the pioneering works by Jørgensen and Rand, several papers utilized the electron transfer dissociation (ETD) to determine the location of deuterium in single-amide resolution. This paper demonstrates further advancement of the strategy by determining backbone amide hydrogen exchange rates, instead of just determining deuterium incorporation at a single time point, in combination with a wide time window monitoring. A method to evaluate the effects of scrambling and to determine the exchange rates from partially scrambled HDX-ETD-MS data is described. All parent ions for ETD fragmentation were regio-selectively scrambled: The deuterium in some regions of a peptide ion was scrambled while that in the other regions was not scrambled. The method determined 31 backbone amide hydrogen exchange rates of cytochrome c in the non-scrambled regions. Good fragmentation of a parent ion, a low degree of scrambling, and a low number of exchangeable hydrogens in the preceding side chain are the important factors to determine the exchange rate. The exchange rates determined by the HDX-MS are in good agreement with those determined by NMR. [Figure not available: see fulltext.

Determination of Backbone Amide Hydrogen Exchange Rates of Cytochrome c Using Partially Scrambled Electron Transfer Dissociation Data.

PubMed

Hamuro, Yoshitomo; E, Sook Yen

2018-05-01

The technological goal of hydrogen/deuterium exchange-mass spectrometry (HDX-MS) is to determine backbone amide hydrogen exchange rates. The most critical challenge to achieve this goal is obtaining the deuterium incorporation in single-amide resolution, and gas-phase fragmentation may provide a universal solution. The gas-phase fragmentation may generate the daughter ions which differ by a single amino acid and the difference in deuterium incorporations in the two analogous ions can yield the deuterium incorporation at the sub-localized site. Following the pioneering works by Jørgensen and Rand, several papers utilized the electron transfer dissociation (ETD) to determine the location of deuterium in single-amide resolution. This paper demonstrates further advancement of the strategy by determining backbone amide hydrogen exchange rates, instead of just determining deuterium incorporation at a single time point, in combination with a wide time window monitoring. A method to evaluate the effects of scrambling and to determine the exchange rates from partially scrambled HDX-ETD-MS data is described. All parent ions for ETD fragmentation were regio-selectively scrambled: The deuterium in some regions of a peptide ion was scrambled while that in the other regions was not scrambled. The method determined 31 backbone amide hydrogen exchange rates of cytochrome c in the non-scrambled regions. Good fragmentation of a parent ion, a low degree of scrambling, and a low number of exchangeable hydrogens in the preceding side chain are the important factors to determine the exchange rate. The exchange rates determined by the HDX-MS are in good agreement with those determined by NMR. Graphical Abstract ᅟ.

Determination of Backbone Amide Hydrogen Exchange Rates of Cytochrome c Using Partially Scrambled Electron Transfer Dissociation Data

NASA Astrophysics Data System (ADS)

Hamuro, Yoshitomo; E, Sook Yen

2018-03-01

The technological goal of hydrogen/deuterium exchange-mass spectrometry (HDX-MS) is to determine backbone amide hydrogen exchange rates. The most critical challenge to achieve this goal is obtaining the deuterium incorporation in single-amide resolution, and gas-phase fragmentation may provide a universal solution. The gas-phase fragmentation may generate the daughter ions which differ by a single amino acid and the difference in deuterium incorporations in the two analogous ions can yield the deuterium incorporation at the sub-localized site. Following the pioneering works by Jørgensen and Rand, several papers utilized the electron transfer dissociation (ETD) to determine the location of deuterium in single-amide resolution. This paper demonstrates further advancement of the strategy by determining backbone amide hydrogen exchange rates, instead of just determining deuterium incorporation at a single time point, in combination with a wide time window monitoring. A method to evaluate the effects of scrambling and to determine the exchange rates from partially scrambled HDX-ETD-MS data is described. All parent ions for ETD fragmentation were regio-selectively scrambled: The deuterium in some regions of a peptide ion was scrambled while that in the other regions was not scrambled. The method determined 31 backbone amide hydrogen exchange rates of cytochrome c in the non-scrambled regions. Good fragmentation of a parent ion, a low degree of scrambling, and a low number of exchangeable hydrogens in the preceding side chain are the important factors to determine the exchange rate. The exchange rates determined by the HDX-MS are in good agreement with those determined by NMR. [Figure not available: see fulltext.

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

NASA Astrophysics Data System (ADS)

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

2017-09-01

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

Palladium-Catalyzed Reductive Insertion of Alcohols into Aryl Ether Bonds

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

Wang, Meng; Gutiérrez, Oliver Y.; Camaioni, Donald M.

Pd/C catalyzes C-O bond cleavage of aryl ethers (diphenyl ether and cyclohexyl phenyl ether) by methanol in H2. The aromatic C-O bond is cleaved by reductive methanolysis, which is initiated by Pd-catalyzed partial hydrogenation of one phenyl ring to form an enol ether. The enol ether reacts rapidly with methanol to form a ketal, which generates methoxycyclohexene by eliminating phenol or an alkanol. Subsequent hydrogenation leads to methoxycyclohexane.

Solar energy conversion through biophotolysis. Final report, April 1, 1977-March 31, 1978

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

Benemann, J.R.; Hallenbeck, P.C.; Murry, M.A.

Biophotolysis has been demonstrated using nitrogen-starved cultures of the blue-green alga Anabaena cylindrica. Individual chapters are devoted to: a review of literature on hydrogen from algae; development of the biophotolysis system; thermophilic blue-green algae; characterization and partial purification of the reversible hydrogenase; purification and properties of nitrogenase; studies with an antibody specific to nitrogenase; nitrogenase regulation in Anabaena cylindrica; and hydrogen production with photosynthetic bacteria.

Evidence for the Sequestration of Hydrogen-Bearing Volatiles Towards the Moons Southern Pole-Facing Slopes

NASA Technical Reports Server (NTRS)

McClanahan, T. P.; Mitrofanov, I. G.; Boynton, W. V.; Chin, G.; Bodnarik, J.; Droege, G.; Evans, L. G.; Golovin, D.; Hamara, D.; Harshman, K.;

Effect ofHydrogen Use on Diesel Engine Performance

NASA Astrophysics Data System (ADS)

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

2016-11-01

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

Microstructure and hydrogen induced failure mechanisms in iron-nickel weldments

NASA Astrophysics Data System (ADS)

Fenske, Jamey Alan

A recent series of inexplicable catastrophic failures of specific subsea dissimilar metal Fe-Ni butter welds has illuminated a fundamental lack of understanding of both the microstructure created along the fusion line as well as its impact on the hydrogen susceptibility of these interfaces. In order to remedy this, the present work compares and contrasts the microstructure and hydrogen-induced fracture morphology of AISI 8630-IN 625 and F22-IN 625 dissimilar metal weld interfaces as a function of post-weld heat treatment duration. A variety of techniques were used to study details of both the microstructure and fracture morphology including optical microscopy, scanning electron microscopy, secondary ion mass spectrometry, transmission electron microscopy, electron backscatter diffraction, and energy dispersive x-ray spectroscopy. For both systems, the microstructure along the weld interface consisted of a coarse grain heat-affected zone in the Fe-base metal followed by discontinuous martensitic partially-mixed zones and a continuous partially-mixed zone on the Ni-side of the fusion line. Within the partially mixed zone on the Ni-side there exists a 200 nm-wide transition zone within a 20 mum-wide planar solidification region followed by a cellular dendritic region with Nb-Mo rich carbides decorating the dendrite boundaries. The size, area fraction and composition of the discontinuous PMZ were determined to be controlled by uneven mixing in the liquid weld pool influenced by convection currents produced from the welding procedure. The virgin martensitic microstructure produced in these regions is formed as consequence of a both the local composition and the post-weld heat treatment. The local higher Ni content results in these regions being retransformed into austenite during the post-weld heat treatment and then virgin martensite while cooling to room temperature. Although there were differences in the volume of the discontinuous partially mixed-zones, the major difference in the weld metal interfaces was the presence of M 7C3 precipitates in the planar solidification region. The formation of these precipitates, which were found in what was previously referred to as the "featureless-zone," were determined to be dependent on the carbon content of the Fe-base metal and the duration of the post-weld heat treatment. A high density of these ordered 100 nm-long by 10 nm-wide needle-like precipitates were found in the AISI 8630-IN 625 weldment in the 10 hour post-weld heat treatment condition while only the initial stages of their nucleation were evident in the F22-IN 625 15 hour post-weld heat treatment specimen. The study of the fractured specimens revealed that the M7C 3 carbides play a key role in the susceptibility to hydrogen embrittlement of the Fe-Ni butter weldments. The fractures initially nucleate along the isolated Fe-base metal -- discontinuous partially mixed zone interfaces. The M7C3 carbides accumulate hydrogen and then provide a low energy fracture path between the discontinuous partially mixed zones leading to catastrophic failure. The result is a fracture morphology that alternates between flat regions produced by fracture along the discontinuous partially mixed zones and cleavage-like fracture regions produced by fracture along the ordered carbide matrix interfaces.

Formation of negative hydrogen ion: polarization electron capture and nonthermal shielding.

PubMed

Ki, Dae-Han; Jung, Young-Dae

2012-09-07

The influence of the nonthermal shielding on the formation of the negative hydrogen ion (H(-)) by the polarization electron capture are investigated in partially ionized generalized Lorentzian plasmas. The Bohr-Lindhard method has been applied to obtain the negative hydrogen formation radius and cross section as functions of the collision energy, de Broglie wave length, Debye length, impact parameter, and spectral index of the plasma. The result shows that the nonthermal character of the plasma enhances the formation radius of the negative hydrogen, especially, for small Debye radii. It is found that the nonthermal effect increases the formation cross section of the negative hydrogen. It is also found that the maximum position of the formation cross section approaches to the collision center with an increase of the spectral index. In addition, it is found that the formation cross section significantly decreases with an increase of the Debye length, especially, for small spectral indices.

Hydrogen production from alcohol reforming in a microwave ‘tornado’-type plasma

NASA Astrophysics Data System (ADS)

Tatarova, E.; Bundaleska, N.; Dias, F. M.; Tsyganov, D.; Saavedra, R.; Ferreira, C. M.

2013-12-01

In this work, an experimental investigation of microwave plasma-assisted reforming of different alcohols is presented. A microwave (2.45 GHz) ‘tornado’-type plasma with a high-speed tangential gas injection (swirl) at atmospheric pressure is applied to decompose alcohol molecules, namely methanol, ethanol and propanol, and to produce hydrogen-rich gas. The reforming efficiency is investigated both in Ar and Ar+ water vapor plasma environments. The hydrogen yield dependence on the partial alcohol flux is analyzed. Mass spectrometry and Fourier transform infrared spectroscopy are used to detect the outlet gas products from the decomposition process. Hydrogen, carbon monoxide, carbon dioxide and solid carbon are the main decomposition by-products. A significant increase in the hydrogen production rate is observed with the addition of a small amount of water. Furthermore, optical emission spectroscopy is applied to detect the radiation emitted by the plasma and to estimate the gas temperature and electron density.

Hydrogen peroxide contributes to the ultraviolet-B (280-315 nm) induced oxidative stress of plant leaves through multiple pathways.

PubMed

Czégény, Gyula; Wu, Min; Dér, András; Eriksson, Leif A; Strid, Åke; Hideg, Éva

2014-06-27

Solar UV-B (280-315 nm) radiation is a developmental signal in plants but may also cause oxidative stress when combined with other environmental factors. Using computer modeling and in solution experiments we show that UV-B is capable of photosensitizing hydroxyl radical production from hydrogen peroxide. We present evidence that the oxidative effect of UV-B in leaves is at least twofold: (i) it increases cellular hydrogen peroxide concentrations, to a larger extent in pyridoxine antioxidant mutant pdx1.3-1 Arabidopsis and; (ii) is capable of a partial photo-conversion of both 'natural' and 'extra' hydrogen peroxide to hydroxyl radicals. As stress conditions other than UV can increase cellular hydrogen peroxide levels, synergistic deleterious effects of various stresses may be expected already under ambient solar UV-B. Copyright © 2014 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

Theory of electron-impact ionization of atoms

NASA Astrophysics Data System (ADS)

Kadyrov, A. S.; Mukhamedzhanov, A. M.; Stelbovics, A. T.; Bray, I.

2004-12-01

The existing formulations of electron-impact ionization of a hydrogenic target suffer from a number of formal problems including an ambiguous and phase-divergent definition of the ionization amplitude. An alternative formulation of the theory is given. An integral representation for the ionization amplitude which is free of ambiguity and divergence problems is derived and is shown to have four alternative, but equivalent, forms well suited for practical calculations. The extension to amplitudes of all possible scattering processes taking place in an arbitrary three-body system follows. A well-defined conventional post form of the breakup amplitude valid for arbitrary potentials including the long-range Coulomb interaction is given. Practical approaches are based on partial-wave expansions, so the formulation is also recast in terms of partial waves and partial-wave expansions of the asymptotic wave functions are presented. In particular, expansions of the asymptotic forms of the total scattering wave function, developed from both the initial and the final state, for electron-impact ionization of hydrogen are given. Finally, the utility of the present formulation is demonstrated on some well-known model problems.

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.

Effect of plasma nitriding on the structural stability and hydrogen absorption capability of Pd-coated Nb during thermal treatment

NASA Astrophysics Data System (ADS)

Ohtsu, Naofumi; Kozuka, Taro; Shibata, Yuga; Yamane, Misao

2017-11-01

Plasma nitriding was explored for improving the thermal stability of a composite hydrogen permeable membrane comprising a Pd coating on Nb substrate. A NbN intermediate layer was formed on the Nb substrate, and the progress of interdiffusion and deterioration of hydrogen absorption behavior after a thermal treatment at 573 and 773 K, respectively, were investigated. The intermediate layer significantly suppressed the interdiffusion between the coating and the substrate. Furthermore, an increase in the NbN concentration of the intermediate layer enhanced the suppression efficiency. However, the hydrogen permeability of the intermediate layer was significantly low, and hence, an increase in NbN concentration further decreased the hydrogen permeability. We concluded that the nitride layer with a high NbN content was unsuitable as an intermediate layer owing to its low hydrogen permeability, while the partial nitride layer with a low NbN content was inefficient in suppressing the interdiffusion.

Simple Hydrogen Plasma Doping Process of Amorphous Indium Gallium Zinc Oxide-Based Phototransistors for Visible Light Detection.

PubMed

Kang, Byung Ha; Kim, Won-Gi; Chung, Jusung; Lee, Jin Hyeok; Kim, Hyun Jae

2018-02-28

A homojunction-structured amorphous indium gallium zinc oxide (a-IGZO) phototransistor that can detect visible light is reported. The key element of this technology is an absorption layer composed of hydrogen-doped a-IGZO. This absorption layer is fabricated by simple hydrogen plasma doping, and subgap states are induced by increasing the amount of hydrogen impurities. These subgap states, which lead to a higher number of photoexcited carriers and aggravate the instability under negative bias illumination stress, enabled the detection of a wide range of visible light (400-700 nm). The optimal condition of the hydrogen-doped absorption layer (HAL) is fabricated at a hydrogen partial pressure ratio of 2%. As a result, the optimized a-IGZO phototransistor with the HAL exhibits a high photoresponsivity of 1932.6 A/W, a photosensitivity of 3.85 × 10 6 , and a detectivity of 6.93 × 10 11 Jones under 635 nm light illumination.

Materials for the scavenging of hydrogen at high temperatures

DOEpatents

Shepodd, T.J.; Phillip, B.L.

1997-12-30

A hydrogen getter composition is described comprising a double or triple bonded hydrocarbon with a high melting point useful for removing hydrogen gas, to partial pressures below 0.01 torr, from enclosed spaces and particularly from vessels used for transporting or containing fluids at elevated temperatures. The hydrogen getter compositions disclosed herein and their reaction products will neither melt nor char at temperatures in excess of 100 C. They possess significant advantages over conventional hydrogen getters, namely low risk of fire or explosion, no requirement for high temperature activation or operation, the ability to absorb hydrogen even in the presence of contaminants such as water, water vapor, common atmospheric gases and oil mists and are designed to be disposed within the confines of the apparatus. These getter materials can be mixed with binders, such as fluoropolymers, which permit the getter material to be fabricated into useful shapes and/or impart desirable properties such as water repellency or impermeability to various gases. 7 figs.

Materials for the scavanging of hydrogen at high temperatures

DOEpatents

Shepodd, Timothy J.; Phillip, Bradley L.

1997-01-01

A hydrogen getter composition comprising a double or triple bonded hydrocarbon with a high melting point useful for removing hydrogen gas, to partial pressures below 0.01 torr, from enclosed spaces and particularly from vessels used for transporting or containing fluids at elevated temperatures. The hydrogen getter compositions disclosed herein and their reaction products will neither melt nor char at temperatures in excess of 100.degree. C. They possess significant advantages over conventional hydrogen getters, namely low risk of fire or explosion, no requirement for high temperature activation or operation, the ability to absorb hydrogen even in the presence of contaminants such as water, water vapor, common atmospheric gases and oil mists and are designed to be disposed within the confines of the apparatus. These getter materials can be mixed with binders, such as fluropolymers, which permit the getter material to be fabricated into useful shapes and/or impart desirable properties such as water repellency or impermeability to various gases.

Materials for the scavanging of hydrogen at high temperatures

DOEpatents

Shepodd, Timothy J.; Phillip, Bradley L.

1997-01-01

A hydrogen getter composition comprising a double or triple bonded hydrocarbon with a high melting point useful for removing hydrogen gas, to partial pressures below 0.01 torr, from enclosed spaces and particularly from vessels used for transporting or containing fluids at elevated temperatures. The hydrogen getter compostions disclosed herein and their reaction products will neither melt nor char at temperatures in excess of 100C. They possess significant advantages over conventional hydrogen getters, namely low risk of fire or explosion, no requirement for high temperature activation or operation, the ability to absorb hydrogen even in the presence of contaminants such as water, water vapor, common atmospheric gases and oil mists and are designed to be disposed within the confines of the apparatus. These getter materials can be mixed with binders, such as fluropolymers, which permit the getter material to be fabricated into useful shapes and/or impart desirable properties such as water repellency or impermeability to various gases.

Materials for the scavenging of hydrogen at high temperatures

DOEpatents

Shepodd, T.J.; Phillip, B.L.

1997-04-29

A hydrogen getter composition is described comprising a double or triple bonded hydrocarbon with a high melting point useful for removing hydrogen gas, to partial pressures below 0.01 torr, from enclosed spaces and particularly from vessels used for transporting or containing fluids at elevated temperatures. The hydrogen getter compositions disclosed herein and their reaction products will neither melt nor char at temperatures in excess of 100C. They possess significant advantages over conventional hydrogen getters, namely low risk of fire or explosion, no requirement for high temperature activation or operation, the ability to absorb hydrogen even in the presence of contaminants such as water, water vapor, common atmospheric gases and oil mists and are designed to be disposed within the confines of the apparatus. These getter materials can be mixed with binders, such as fluoropolymers, which permit the getter material to be fabricated into useful shapes and/or impart desirable properties such as water repellency or impermeability to various gases. 7 figs.

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

PubMed

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

2017-08-02

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

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

PubMed Central

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

2017-01-01

The generalized gradient approximation (GGA) function based on density functional theory is adopted to investigate the optimized geometrical structure, electron structure and hydrogen storage performance of Sc modified porous graphene (PG). It is found that the carbon ring center is the most stable adsorbed position for a single Sc atom on PG, and the maximum number of adsorbed H2 molecules is four with the average adsorption energy of −0.429 eV/H2. By adding a second Sc atom on the other side of the system, the hydrogen storage capacity of the system can be improved effectively. Two Sc atoms located on opposite sides of the PG carbon ring center hole is the most suitable hydrogen storage structure, and the hydrogen storage capacity reach a maximum 9.09 wt % at the average adsorption energy of −0.296 eV/H2. The adsorption of H2 molecules in the PG system is mainly attributed to orbital hybridization among H, Sc, and C atoms, and Coulomb attraction between negatively charged H2 molecules and positively charged Sc atoms. PMID:28767084

Epi-cleaning of Ge/GeSn heterostructures

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

Di Gaspare, L.; Sabbagh, D.; De Seta, M.

2015-01-28

We demonstrate a very-low temperature cleaning technique based on atomic hydrogen irradiation for highly (1%) tensile strained Ge epilayers grown on metastable, partially strain relaxed GeSn buffer layers. Atomic hydrogen is obtained by catalytic cracking of hydrogen gas on a hot tungsten filament in an ultra-high vacuum chamber. X-ray photoemission spectroscopy, reflection high energy electron spectroscopy, atomic force microscopy, secondary ion mass spectroscopy, and micro-Raman showed that an O- and C-free Ge surface was achieved, while maintaining the same roughness and strain condition of the as-deposited sample and without any Sn segregation, at a process temperature in the 100–300 °C range.

Epi-cleaning of Ge/GeSn heterostructures

NASA Astrophysics Data System (ADS)

Di Gaspare, L.; Sabbagh, D.; De Seta, M.; Sodo, A.; Wirths, S.; Buca, D.; Zaumseil, P.; Schroeder, T.; Capellini, G.

2015-01-01

We demonstrate a very-low temperature cleaning technique based on atomic hydrogen irradiation for highly (1%) tensile strained Ge epilayers grown on metastable, partially strain relaxed GeSn buffer layers. Atomic hydrogen is obtained by catalytic cracking of hydrogen gas on a hot tungsten filament in an ultra-high vacuum chamber. X-ray photoemission spectroscopy, reflection high energy electron spectroscopy, atomic force microscopy, secondary ion mass spectroscopy, and micro-Raman showed that an O- and C-free Ge surface was achieved, while maintaining the same roughness and strain condition of the as-deposited sample and without any Sn segregation, at a process temperature in the 100-300 °C range.

Method for making hydrogen rich gas from hydrocarbon fuel

DOEpatents

Krumpelt, M.; Ahmed, S.; Kumar, R.; Doshi, R.

1999-07-27

A method of forming a hydrogen rich gas from a source of hydrocarbon fuel in which the hydrocarbon fuel contacts a two-part catalyst comprising a dehydrogenation portion and an oxide-ion conducting portion at a temperature not less than about 400 C for a time sufficient to generate the hydrogen rich gas while maintaining CO content less than about 5 volume percent. There is also disclosed a method of forming partially oxidized hydrocarbons from ethanes in which ethane gas contacts a two-part catalyst comprising a dehydrogenation portion and an oxide-ion conducting portion for a time and at a temperature sufficient to form an oxide. 4 figs.

Method for making hydrogen rich gas from hydrocarbon fuel

DOEpatents

Krumpelt, Michael; Ahmed, Shabbir; Kumar, Romesh; Doshi, Rajiv

1999-01-01

A method of forming a hydrogen rich gas from a source of hydrocarbon fuel in which the hydrocarbon fuel contacts a two-part catalyst comprising a dehydrogenation portion and an oxide-ion conducting portion at a temperature not less than about 400.degree. C. for a time sufficient to generate the hydrogen rich gas while maintaining CO content less than about 5 volume percent. There is also disclosed a method of forming partially oxidized hydrocarbons from ethanes in which ethane gas contacts a two-part catalyst comprising a dehydrogenation portion and an oxide-ion conducting portion for a time and at a temperature sufficient to form an oxide.

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.

Holistic Approach to Partial Covalent Interactions in Protein Structure Prediction and Design with Rosetta.

PubMed

Combs, Steven A; Mueller, Benjamin K; Meiler, Jens

2018-05-29

Partial covalent interactions (PCIs) in proteins, which include hydrogen bonds, salt bridges, cation-π, and π-π interactions, contribute to thermodynamic stability and facilitate interactions with other biomolecules. Several score functions have been developed within the Rosetta protein modeling framework that identify and evaluate these PCIs through analyzing the geometry between participating atoms. However, we hypothesize that PCIs can be unified through a simplified electron orbital representation. To test this hypothesis, we have introduced orbital based chemical descriptors for PCIs into Rosetta, called the PCI score function. Optimal geometries for the PCIs are derived from a statistical analysis of high-quality protein structures obtained from the Protein Data Bank (PDB), and the relative orientation of electron deficient hydrogen atoms and electron-rich lone pair or π orbitals are evaluated. We demonstrate that nativelike geometries of hydrogen bonds, salt bridges, cation-π, and π-π interactions are recapitulated during minimization of protein conformation. The packing density of tested protein structures increased from the standard score function from 0.62 to 0.64, closer to the native value of 0.70. Overall, rotamer recovery improved when using the PCI score function (75%) as compared to the standard Rosetta score function (74%). The PCI score function represents an improvement over the standard Rosetta score function for protein model scoring; in addition, it provides a platform for future directions in the analysis of small molecule to protein interactions, which depend on partial covalent interactions.

Fuel quality combustion analysis

NASA Technical Reports Server (NTRS)

Naegeli, D. W.; Moses, C. A.

1979-01-01

A high pressure research combustor operating over a wide range of burner inlet conditions was used to determine the effects of fuel molecular structure on soot formation. Six test fuels with equal hydrogen content (12.8%) were blended to stress different molecular components and final boiling points. The fuels containing high concentrations (20%) of polycyclic aromatics and partially saturated polycyclic structures such as tetralin, produced more soot than would be expected from a hydrogen content correlation for typical petroleum based fuels. Fuels containing naphthenes such as decalin agreed with the hydrogen content correlation. The contribution of polycyclic aromatics to soot formation was equivalent to a reduction in fuel hydrogen content of about one percent. The fuel sensitivity to soot formation due to the polycyclic aromatic contribution decreased as burner inlet pressure and fuel/air ratio increased.

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

Searching for magnetism in hydrogenated graphene: using highly hydrogenated graphene prepared via Birch reduction of graphite oxides.

PubMed

Eng, Alex Yong Sheng; Poh, Hwee Ling; Šaněk, Filip; Maryško, Miroslav; Matějková, Stanislava; Sofer, Zdeněk; Pumera, Martin

2013-07-23

Fully hydrogenated graphene (graphane) and partially hydrogenated graphene materials are expected to possess various fundamentally different properties from graphene. We have prepared highly hydrogenated graphene containing 5% wt of hydrogen via Birch reduction of graphite oxide using elemental sodium in liquid NH3 as electron donor and methanol as proton donor in the reduction. We also investigate the influence of preparation method of graphite oxide, such as the Staudenmaier, Hofmann or Hummers methods on the hydrogenation rate. A control experiment involving NaNH2 instead of elemental Na was also performed. The materials were characterized in detail by electron microscopy, infrared spectroscopy, X-ray photoelectron spectroscopy, Raman spectroscopy both at room and low temperatures, X-ray fluorescence spectroscopy, inductively coupled plasma optical emission spectroscopy, combustible elemental analysis and electrical resistivity measurements. Magnetic measurements are provided of bulk quantities of highly hydrogenated graphene. In the whole temperature range up to room temperature, the hydrogenated graphene exhibits a weak ferromagnetism in addition to a contribution proportional to field that is caused not only by diamagnetism but also likely by an antiferromagnetic influence. The origin of the magnetism is also determined to arise from the hydrogenated graphene itself, and not as a result of any metallic impurities.

A high stability Ni-La0.5Ce0.5O2-δ asymmetrical metal-ceramic membrane for hydrogen separation and generation

NASA Astrophysics Data System (ADS)

Zhu, Zhiwen; Sun, Wenping; Wang, Zhongtao; Cao, Jiafeng; Dong, Yingchao; Liu, Wei

2015-05-01

In this work, hydrogen permeation properties of Ni-La0.5Ce0.5O2-δ (LDC) asymmetrical cermet membrane are investigated, including hydrogen fluxes (JH2) under different hydrogen partial pressures, the influence of water vapor on JH2 and the long-term stability of the membrane operating under the containing-CO2 atmosphere. Ni-LDC asymmetrical membrane shows the best hydrogen permeability among LDC-based hydrogen separation membranes, inferior to Ni-BaZr0.1Ce0.7Y0.2O3-δ asymmetrical membrane. The water vapor in feed gas is beneficial to hydrogen transport process, which promote an increase of JH2 from 5.64 × 10-8 to 6.83 × 10-8 mol cm-2 s-1 at 900 °C. Stability testing of hydrogen permeation suggests that Ni-LDC membrane remains stable against CO2. A dual function of combining hydrogen separation and generation can be realized by humidifying the sweep gas and enhance the hydrogen output by 1.0-1.5 times. Ni-LDC membrane exhibits desirable performance and durability in dual-function mode. Morphologies and phase structures of the membrane after tests are also characterized by SEM and XRD.

Imidazole C-2 Hydrogen/Deuterium Exchange Reaction at Histidine for Probing Protein Structure and Function with MALDI Mass Spectrometry

PubMed Central

Hayashi, Naoka; Kuyama, Hiroki; Nakajima, Chihiro; Kawahara, Kazuki; Miyagi, Masaru; Nishimura, Osamu; Matsuo, Hisayuki; Nakazawa, Takashi

2015-01-01

We present a mass spectrometric method for analyzing protein structure and function, based on the imidazole C-2 or histidine Cε1 hydrogen/deuterium (H/D) exchange reaction, which is intrinsically second order with respect to the concentrations of the imidazolium cation and OD− in D2O. The second-order rate constant (k2) of this reaction was calculated from the pH-dependency of the pseudo-first-order rate constant (kφ) obtained from the change of average mass ΔMr (0 ≤ ΔMr < 1) of a peptide fragment containing a defined histidine residue at incubation time (t) such that kφ = − [ln(1−ΔMr)]/t. We preferred using k2 rather than kφ because k2max (maximal value of k2) was empirically related to pKa as illustrated with a Brønsted plot: logk2max=-0.7pKa+α (α is an arbitrary constant), so that we could analyze the effect of structure on the H/D-exchange rate in terms of log(k2max/k2) representing the deviation of k2 from k2max. In the catalytic site of bovine ribonuclease A, His12 showed much larger change in log(k2max/k2) compared with His119 upon binding with cytidine 3′-monophosphate, as anticipated from the X-ray structures and the possible change in solvent accessibility. However, there is a need of considering the hydrogen bonds of the imidazole group with non-dissociable groups to interpret an extremely slow H/D exchange rate of His48 in partially solvent-exposed situation. PMID:24606199

Feasibility study: Liquid hydrogen plant, 30 tons per day

NASA Technical Reports Server (NTRS)

1975-01-01

The design considerations of the plant are discussed in detail along with management planning, objective schedules, and cost estimates. The processing scheme is aimed at ultimate use of coal as the basic raw material. For back-up, and to provide assurance of a dependable and steady supply of hydrogen, a parallel and redundant facility for gasifying heavy residual oil will be installed. Both the coal and residual oil gasifiers will use the partial oxidation process.

Hydrogen effects on materials for CNG/H2 blends.

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

Farese, David; Keller, Jay O.; Somerday, Brian P.

2010-09-01

No concerns for Hydrogen-Enriched Compressed Natural gas (HCNG) in steel storage tanks if material strength is < 950 MPa. Recommend evaluating H{sub 2}-assisted fatigue cracking in higher strength steels at H{sub 2} partial pressure in blend. Limited fatigue testing on higher strength steel cylinders in H{sub 2} shows promising results. Impurities in Compressed Natural Gas (CNG) (e.g., CO) may provide extrinsic mechanism for mitigating H{sub 2}-assisted fatigue cracking in steel tanks.

Vibrational Properties of Anhydrous and Partially Hydrated Uranyl Fluoride

DOE PAGES

Anderson, Brian B.; Kirkegaard, Marie C.; Miskowiec, Andrew J.; ...

2017-01-01

Uranyl fluoride (UO 2F 2) is a hygroscopic powder with two main structural phases: an anhydrous crystal and a partially hydrated crystal of the same R¯3m symmetry. The formally closed-shell electron structure of anhydrous UO 2F 2 is amenable to density functional theory calculations. We use density functional perturbation theory (DFPT) to calculate the vibrational frequencies of the anhydrous crystal structure and employ complementary inelastic neutron scattering and temperature-dependent Raman scattering to validate those frequencies. As a model closed-shell actinide, we investigated the effect of LDA, GGA, and non-local vdW functionals as well as the spherically-averaged Hubbard +U correction onmore » vibrational frequencies, electronic structure, and geometry of anhydrous UO 2F 2. A particular choice of U eff = 5.5 eV yields the correct U Oyl bond distance and vibrational frequencies for the characteristic Eg and A1g modes that are within the resolution of experiment. Inelastic neutron scattering and Raman scattering suggest a degree of water coupling to the lattice vibrations in the more experimentally accessible partially hydrated UO 2F 2 system, with the symmetric O-U-O stretching vibration shifted approximately 47 cm -1 lower in energy compared to the anhydrous structure. Evidence of water interaction with the uranyl ion is present from a two-peak decomposition of the uranyl stretching vibration in the Raman spectra and anion hydrogen stretching vibrations in the inelastic neutron scattering spectra. A first-order dehydration phase transition temperature is definitively identified to be 125 °C using temperature-dependent Raman scattering.« less

Improvement in low-temperature and instantaneous high-rate output performance of Al-free AB5-type hydrogen storage alloy for negative electrode in Ni/MH battery: Effect of thermodynamic and kinetic regulation via partial Mn substituting

NASA Astrophysics Data System (ADS)

Zhou, Wanhai; Zhu, Ding; Tang, Zhengyao; Wu, Chaoling; Huang, Liwu; Ma, Zhewen; Chen, Yungui

2017-03-01

A series of Al-free Mn-modified AB5-type hydrogen storage alloys have been designed and the effects of thermodynamic stability and electrochemical kinetics on electrochemical performance via Mn substituting have been investigated. Compared with high-Al alloys, the Al-free alloys in this study have better low-temperature performance and instantaneous high-rate output because of the higher surface catalytic ability. After partial substitution of Ni by Mn, both the hydrogen desorption capacity and plateau pressure decrease, and correspondingly results in an improved thermodynamic stability which is adverse to low-temperature delivery. Additionally, with the improvement of charge acceptance ability and anti-corrosion property via Mn substitution, the room-temperature discharge capacity and cycling stability increase slightly. However, Mn adversely affects the electrochemical kinetics and deteriorates both the surface catalytic ability and the bulk hydrogen diffusion ability, leading to the drop of low-temperature dischargeability, high-rate dischargeability and peak power (Ppeak). Based on the thermodynamic and kinetic regulation and overall electrochemical properties, the optimal composition is obtained when x = 0.2, the discharge capacity is 243.6 mAh g-1 at -40 °C with 60 mA g-1, and the Ppeak attains to 969.6 W kg-1 at -40 °C.

Fractionation of carbon and hydrogen isotopes by methane-oxidizing bacteria

USGS Publications Warehouse

Coleman, D.D.; Risatti, J.B.; Schoell, M.

1981-01-01

Carbon isotopic analysis of methane has become a popular technique in the exploration for oil and gas because it can be used to differentiate between thermogenic and microbial gas and can sometimes be used for gas-source rock correlations. Methane-oxidizing bacteria, however, can significantly change the carbon isotopic composition of methane; the origin of gas that has been partially oxidized by these bacteria could therefore be misinterpreted. We cultured methane-oxidizing bacteria at two different temperatures and monitored the carbon and hydrogen isotopic compositions of the residual methane. The residual methane was enriched in both 13C and D. For both isotopic species, the enrichment at equivalent levels of conversion was greater at 26??C than at 11.5??C. The change in ??D relative to the change in ??13C was independent of temperature within the range studied. One culture exhibited a change in the fractionation pattern for carbon (but not for hydrogen) midway through the experiment, suggesting that bacterial oxidation of methane may occur via more than one pathway. The change in the ??D value for the residual methane was from 8 to 14 times greater than the change in the ??13C value, indicating that combined carbon and hydrogen isotopic analysis may be an effective way of identifying methane which has been subjected to partial oxidation by bacteria. ?? 1981.

Dual organism design cycle reveals small subunit substitutions that improve [NiFe] hydrogenase hydrogen evolution

PubMed Central

2013-01-01

Background Photosynthetic microorganisms that directly channel solar energy to the production of molecular hydrogen are a potential future biofuel system. Building such a system requires installation of a hydrogenase in the photosynthetic organism that is both tolerant to oxygen and capable of hydrogen production. Toward this end, we have identified the [NiFe] hydrogenase from the marine bacterium Alteromonas macleodii “Deep ecotype” that is able to be heterologously expressed in cyanobacteria and has tolerance to partial oxygen. The A. macleodii enzyme shares sequence similarity with the uptake hydrogenases that favor hydrogen uptake activity over hydrogen evolution. To improve hydrogen evolution from the A. macleodii hydrogenase, we examined the three Fe-S clusters found in the small subunit of many [NiFe] uptake hydrogenases that presumably act as a molecular wire to guide electrons to or from the active site of the enzyme. Studies by others altering the medial cluster of a Desulfovibrio fructosovorans hydrogenase from 3Fe-4S to 4Fe-4S resulted in two-fold improved hydrogen evolution activity. Results We adopted a strategy of screening for improved hydrogenase constructs using an Escherichia coli expression system before testing in slower growing cyanobacteria. From the A. macleodii enzyme, we created a mutation in the gene encoding the hydrogenase small subunit that in other systems is known to convert the 3Fe-4S medial cluster to 4Fe-4S. The medial cluster substitution did not improve the hydrogen evolution activity of our hydrogenase. However, modifying both the medial cluster and the ligation of the distal Fe-S cluster improved in vitro hydrogen evolution activity relative to the wild type hydrogenase by three- to four-fold. Other properties of the enzyme including thermostability and tolerance to partial oxygen did not appear to be affected by the substitutions. Conclusions Our results show that substitution of amino acids altering the ligation of Fe-S clusters in the A. macleodii [NiFe] uptake hydrogenase resulted in increased hydrogen evolution activity. This activity can be recapitulated in multiple host systems and with purified protein. These results validate the approach of using an E. coli-cyanobacteria shuttle system for enzyme expression and improvement. PMID:23819621

Thermodynamic equilibrium calculations of hydrogen production from the combined processes of dimethyl ether steam reforming and partial oxidation

NASA Astrophysics Data System (ADS)

Semelsberger, Troy A.; Borup, Rodney L.

Thermodynamic analyses of producing a hydrogen-rich fuel-cell feed from the combined processes of dimethyl ether (DME) partial oxidation and steam reforming were investigated as a function of oxygen-to-carbon ratio (0.00-2.80), steam-to-carbon ratio (0.00-4.00), temperature (100 °C-600 °C), pressure (1-5 atm) and product species. Thermodynamically, dimethyl ether processed with air and steam generates hydrogen-rich fuel-cell feeds; however, the hydrogen concentration is less than that for pure DME steam reforming. Results of the thermodynamic processing of dimethyl ether indicate the complete conversion of dimethyl ether to hydrogen, carbon monoxide and carbon dioxide for temperatures greater than 200 °C, oxygen-to-carbon ratios greater than 0.00 and steam-to-carbon ratios greater than 1.25 at atmospheric pressure (P = 1 atm). Increasing the operating pressure has negligible effects on the hydrogen content. Thermodynamically, dimethyl ether can produce concentrations of hydrogen and carbon monoxide of 52% and 2.2%, respectively, at a temperature of 300 °C, and oxygen-to-carbon ratio of 0.40, a pressure of 1 atm and a steam-to-carbon ratio of 1.50. The order of thermodynamically stable products (excluding H 2, CO, CO 2, DME, NH 3 and H 2O) in decreasing mole fraction is methane, ethane, isopropyl alcohol, acetone, n-propanol, ethylene, ethanol and methyl-ethyl ether; trace amounts of formaldehyde, formic acid and methanol are observed. Ammonia and hydrogen cyanide are also thermodynamically favored products. Ammonia is favored at low temperatures in the range of oxygen-to-carbon ratios of 0.40-2.50 regardless of the steam-to-carbon ratio employed. The maximum ammonia content (i.e., 40%) occurs at an oxygen-to-carbon ratio of 0.40, a steam-to-carbon ratio of 1.00 and a temperature of 100 °C. Hydrogen cyanide is favored at high temperatures and low oxygen-to-carbon ratios with a maximum of 3.18% occurring at an oxygen-to-carbon ratio of 0.40 and a steam-to-carbon ratio of 0.00 in the temperature range of 400 °C-500 °C. Increasing the system pressure shifts the equilibrium toward ammonia and hydrogen cyanide.

Fluidized Bed Membrane Reactors for Ultra Pure H₂ Production--A Step forward towards Commercialization.

PubMed

Helmi, Arash; Fernandez, Ekain; Melendez, Jon; Pacheco Tanaka, David Alfredo; Gallucci, Fausto; van Sint Annaland, Martin

2016-03-19

In this research the performance of a fluidized bed membrane reactor for high temperature water gas shift and its long term stability was investigated to provide a proof-of-concept of the new system at lab scale. A demonstration unit with a capacity of 1 Nm³/h of ultra-pure H₂ was designed, built and operated over 900 h of continuous work. Firstly, the performance of the membranes were investigated at different inlet gas compositions and at different temperatures and H₂ partial pressure differences. The membranes showed very high H₂ fluxes (3.89 × 10(-6) mol·m(-2)·Pa(-1)·s(-1) at 400 °C and 1 atm pressure difference) with a H₂/N₂ ideal perm-selectivity (up to 21,000 when integrating five membranes in the module) beyond the DOE 2015 targets. Monitoring the performance of the membranes and the reactor confirmed a very stable performance of the unit for continuous high temperature water gas shift under bubbling fluidization conditions. Several experiments were carried out at different temperatures, pressures and various inlet compositions to determine the optimum operating window for the reactor. The obtained results showed high hydrogen recovery factors, and very low CO concentrations at the permeate side (in average <10 ppm), so that the produced hydrogen can be directly fed to a low temperature PEM fuel cell.

A RELATION BETWEEN THE WARM NEUTRAL AND IONIZED MEDIA OBSERVED IN THE CANADIAN GALACTIC PLANE SURVEY

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

Foster, T.; Kothes, R.; Brown, J. C., E-mail: Tyler.Foster@nrc-cnrc.gc.ca

2013-08-10

We report on a comparison between 21 cm rotation measure (RM) and the optically thin atomic hydrogen column density (N{sub H{sub I}}({tau} {yields} 0)) measured toward unresolved extragalactic sources in the Galactic plane of the northern sky. H I column densities integrated to the Galactic edge are measured immediately surrounding each of nearly 2000 sources in 1 arcmin 21 cm line data, and are compared to RMs observed from polarized emission of each source. RM data are binned in column density bins 4 Multiplication-Sign 10{sup 20} cm{sup -2} wide, and one observes a strong relationship between the number of hydrogenmore » atoms in a 1 cm{sup 2} column through the plane and the mean RM along the same line of sight and path length. The relationship is linear over one order of magnitude (from 0.8 to 14 Multiplication-Sign 10{sup 21} atoms cm{sup -2}) of column densities, with a constant RM/N{sub H{sub I}}{approx} -23.2 {+-} 2.3 rad m{sup -2}/10{sup 21} atoms cm{sup -2}, and a positive RM of 45.0 {+-} 13.8 rad m{sup -2} in the presence of no atomic hydrogen. This slope is used to calculate a mean volume-averaged magnetic field in the second quadrant of (B{sub Parallel-To }) {approx}1.0 {+-} 0.1 {mu}G directed away from the Sun, assuming an ionization fraction of 8% (consistent with the warm-neutral medium; WNM). The remarkable consistency between this field and (B) = 1.2 {mu}G found with the same RM sources and a Galactic model of dispersion measures (DMs) suggests that electrons in the partially ionized WNM are mainly responsible for pulsar DMs, and thus the partially ionized WNM is the dominant form of the magneto-ionic interstellar medium.« less

Efficient absorption of SO2 with low-partial pressures by environmentally benign functional deep eutectic solvents.

PubMed

Zhang, Kai; Ren, Shuhang; Hou, Yucui; Wu, Weize

2017-02-15

Sulfur dioxide (SO 2 ) emitted from the burning of fossil fuels is one of the main air contaminants. In this work, we found that environmentally benign solvents, deep eutectic solvents (DESs) could be designed with a function to absorb low-partial pressure SO 2 from simulated flue gas. Two kinds of biodegradable functional DESs based on betaine (Bet) and l-carnitine (L-car) as hydrogen bond accepters (HBA) and ethylene glycol (EG) as a hydrogen bond donor (HBD) were prepared with mole ratios of HBA to HBD from 1:3 to 1:5, and they were investigated to absorb SO 2 with different partial pressures at various temperatures. The results showed that the two DESs could absorb low-partial pressure SO 2 efficiently. SO 2 absorption capacities of the DESs with HBA/HBD mole ratio of 1:3 were 0.332mol SO 2 /mol HBA for Bet+EG DES and 0.820mol SO 2 /mol HBA for L-car+EG DES at 40°C with a SO 2 partial pressure of 0.02atm. In addition, the regeneration experiments demonstrated that the absorption capacities of DESs did not change after five absorption and desorption cycles. Furthermore, the absorption mechanism of SO 2 by DESs was studied by FT-IR, 1 H NMR and 13 C NMR spectra. It was found that there are strong acid-base interactions between SO 2 and -COO - on HBA. Copyright © 2016 Elsevier B.V. All rights reserved.

Influence of Manufacturing Parameters on Microstructure and Hydrogen Sorption Behavior of Electron Beam Melted Titanium Ti-6Al-4V Alloy

PubMed Central

Pushilina, Natalia; Syrtanov, Maxim; Murashkina, Tatyana; Kudiiarov, Viktor; Lider, Andrey; Koptyug, Andrey

2018-01-01

Influence of manufacturing parameters (beam current from 13 to 17 mA, speed function 98 and 85) on microstructure and hydrogen sorption behavior of electron beam melted (EBM) Ti-6Al-4V parts was investigated. Optical and scanning electron microscopies as well as X-ray diffraction were used to investigate the microstructure and phase composition of EBM Ti-6Al-4V parts. The average α lath width decreases with the increase of the speed function at the fixed beam current (17 mA). Finer microstructure was formed at the beam current 17 mA and speed function 98. The hydrogenation of EBM Ti-6Al-4V parts was performed at the temperatures 500 and 650 °С at the constant pressure of 1 atm up to 0.3 wt %. The correlation between the microstructure and hydrogen sorption kinetics by EBM Ti-6Al-4V parts was demonstrated. Lower average hydrogen sorption rate at 500 °C was in the sample with coarser microstructure manufactured at the beam current 17 mA and speed function 85. The difference of hydrogen sorption kinetics between the manufactured samples at 650 °C was insignificant. The shape of the kinetics curves of hydrogen sorption indicates the phase transition αH + βH→βH. PMID:29747471

Influence of Manufacturing Parameters on Microstructure and Hydrogen Sorption Behavior of Electron Beam Melted Titanium Ti-6Al-4V Alloy.

PubMed

Pushilina, Natalia; Syrtanov, Maxim; Kashkarov, Egor; Murashkina, Tatyana; Kudiiarov, Viktor; Laptev, Roman; Lider, Andrey; Koptyug, Andrey

2018-05-10

Influence of manufacturing parameters (beam current from 13 to 17 mA, speed function 98 and 85) on microstructure and hydrogen sorption behavior of electron beam melted (EBM) Ti-6Al-4V parts was investigated. Optical and scanning electron microscopies as well as X-ray diffraction were used to investigate the microstructure and phase composition of EBM Ti-6Al-4V parts. The average α lath width decreases with the increase of the speed function at the fixed beam current (17 mA). Finer microstructure was formed at the beam current 17 mA and speed function 98. The hydrogenation of EBM Ti-6Al-4V parts was performed at the temperatures 500 and 650 °С at the constant pressure of 1 atm up to 0.3 wt %. The correlation between the microstructure and hydrogen sorption kinetics by EBM Ti-6Al-4V parts was demonstrated. Lower average hydrogen sorption rate at 500 °C was in the sample with coarser microstructure manufactured at the beam current 17 mA and speed function 85. The difference of hydrogen sorption kinetics between the manufactured samples at 650 °C was insignificant. The shape of the kinetics curves of hydrogen sorption indicates the phase transition α H + β H →β H .

System Evaluation and Life-Cycle Cost Analysis of a Commercial-Scale High-Temperature Electrolysis Hydrogen Production Plant

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

Edwin A. Harvego; James E. O'Brien; Michael G. McKellar

2012-11-01

Results of a system evaluation and lifecycle cost analysis are presented for a commercial-scale high-temperature electrolysis (HTE) central hydrogen production plant. The plant design relies on grid electricity to power the electrolysis process and system components, and industrial natural gas to provide process heat. The HYSYS process analysis software was used to evaluate the reference central plant design capable of producing 50,000 kg/day of hydrogen. The HYSYS software performs mass and energy balances across all components to allow optimization of the design using a detailed process flow sheet and realistic operating conditions specified by the analyst. The lifecycle cost analysismore » was performed using the H2A analysis methodology developed by the Department of Energy (DOE) Hydrogen Program. This methodology utilizes Microsoft Excel spreadsheet analysis tools that require detailed plant performance information (obtained from HYSYS), along with financial and cost information to calculate lifecycle costs. The results of the lifecycle analyses indicate that for a 10% internal rate of return, a large central commercial-scale hydrogen production plant can produce 50,000 kg/day of hydrogen at an average cost of $2.68/kg. When the cost of carbon sequestration is taken into account, the average cost of hydrogen production increases by $0.40/kg to $3.08/kg.« less

Behavior of tritium permeation induced by water corrosion of alpha iron around room temperature

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

Otsuka, T.; Hashizume, K.

2015-03-15

Tritium (T) permeation leakage to surroundings is a great safety concern in fission and fusion reactor systems. T permeation potentially occurs from T contaminated water through cooling tubes or storage tank made of metals which dissolve some T evolved by water corrosion. In order to understand behaviors of hydrogen uptake and permeation in pure α-iron (αFe) during water corrosion around room temperature, hydrogen permeation experiments for an αFe membrane have been conducted by means of tritium tracer techniques. The present study suggests that hydrogen produced by water corrosion of αFe is trapped in product oxide layers to delay hydrogen uptakemore » in αFe for a moment. However, the oxide layers do not work as a sufficient barrier for hydrogen uptake. Some of hydrogen dissolved in αFe normally diffuses and permeates through the bulk in the early stage of permeation. In a later stage, hydrogen permeation could be apparently stopped by the disappearance of concentration difference of tritium. Hydrogen partial pressure at the water/αFe interface could be ranged from 0.7 to 9.5 kPa around room temperature.« less

Average intensity and coherence properties of a partially coherent Lorentz-Gauss beam propagating through oceanic turbulence

NASA Astrophysics Data System (ADS)

Liu, Dajun; Wang, Guiqiu; Wang, Yaochuan

2018-01-01

Based on the Huygens-Fresnel integral and the relationship of Lorentz distribution and Hermite-Gauss function, the average intensity and coherence properties of a partially coherent Lorentz-Gauss beam propagating through oceanic turbulence have been investigated by using numerical examples. The influences of beam parameters and oceanic turbulence on the propagation properties are also discussed in details. It is shown that the partially coherent Lorentz-Gauss beam with smaller coherence length will spread faster in oceanic turbulence, and the stronger oceanic turbulence will accelerate the spreading of partially coherent Lorentz-Gauss beam in oceanic turbulence.

Thermohydrogen processing (THP) of titanium alloy and titanium-aluminum alloys

NASA Astrophysics Data System (ADS)

Qazi, Javaid Iqbal

The microstructures, phases and phase transformations occurring in cast and Hot Isostatic Pressed (HIP'd) Ti-6Al-4V-H and the blended elemental (BE) TiAl-H systems were investigated. In this work, the existing Ti-6Al-4V-H phase diagram was revised and the time-temperature-transformation (TTT) diagrams for beta-phase (isothermal) and martensite (quench plus aging) decomposition were determined at different hydrogen concentrations. Alloying with hydrogen decreases the nose temperatures for the start of both the beta/martensite decompositions in a linear fashion and increases the nose times for both of these in a non-linear fashion. During aging at temperatures below the beta transus temperature, the martensite decomposes into alpha+betaM (metastable beta) and on quenching, from the aging temperature, the betaM transforms to martensite + beta R (residual beta) with the amount of latter increasing with increasing hydrogen content. Microstructures varying from alpha-lamellar laths to fine equiaxed alpha-grains were produced in the Ti-6Al-4V alloy, by using different thermohydrogen processing (THP) treatments. A microstructure consisting of mixed equiaxed and elongated alpha-grains were only produced in samples containing 30at.%H after the complete decomposition of the beta/martensite below a critical temperature (Tc), followed by dehydrogenation. A mixture consisting of partially equiaxed alpha-grains thus produced by THP, increased the tensile strength from 841MPa (starting Ti-6Al-4V) to 965MPa after THP and also increased the % elongation from 7.5% to 10.5%. In addition to other THP parameters, the final microstructure also depends on the starting microstructure and recommendations are made for future work in this regard. Initial results of temperature cycling treatments, which involved heat treating of Ti-6Al-4V samples containing 30at.%H at 680°C for 5 minutes followed by water quenching and repetition of the same treatment for 10 cycles, did not show a decrease in the average prior beta grain size; recommendations have been made for future work in this area. Fully dense hydrogenated nano-crystalline TiAl compacts were produced from BE powders. HIP'ing of the mechanically alloyed hydrogenated powders at 850°C resulted in a homogenous microstructure, whereas prior powder particle boundaries were visible in the samples produced from non-hydrogenated powders. The hydrogen was removed by vacuum annealing resulting in nano-size gamma-TiAl.

Diffusion of hydrogen in a hydrogen-saturated tungsten

NASA Astrophysics Data System (ADS)

Krstic, Predrag; Kaganovich, Igor

2015-11-01

Hydrogen diffusion in monoscrystalline tungsten is studied by molecular dynamics with BOP potential in function of hydrogen concentration and temperature. Tungsten surface is prepared by cumulative irradiation of the 25 eV deuterium atoms at various fluences. The diffusion coefficients for T>500K and various D concentrations were calculated from the average slope of the mean square displacements of deuterium as functions of time. The accumulation of deuterium suppresses its diffusion at all temperatures. The results are in a reasonable agreement with the existing experiments. Supported by the LDRD of PPPL.

Quantum diffusion of H/D on Ni(111)—A partially adiabatic centroid MD study

NASA Astrophysics Data System (ADS)

Hopkinson, A. R.; Probert, M. I. J.

2018-03-01

We present the results of a theoretical study of H/D diffusion on a Ni(111) surface at a range of temperatures, from 250 K to 75 K. The diffusion is studied using both classical molecular dynamics and the partially adiabatic centroid molecular dynamics method. The calculations are performed with the hydrogen (or deuterium) moving in 3D across a static nickel surface using a novel Fourier interpolated potential energy surface which has been parameterized to density functional theory calculations. The results of the classical simulations are that the calculated diffusion coefficients are far too small and with too large a variation with temperature compared with experiment. By contrast, the quantum simulations are in much better agreement with experiment and show that quantum effects in the diffusion of hydrogen are significant at all temperatures studied. There is also a crossover to a quantum-dominated diffusive regime for temperatures below ˜150 K for hydrogen and ˜85 K for deuterium. The quantum diffusion coefficients are found to accurately reproduce the spread in values with temperature, but with an absolute value that is a little high compared with experiment.

Composite mixed oxide ionic and electronic conductors for hydrogen separation

DOEpatents

Gopalan, Srikanth [Westborough, MA; Pal, Uday B [Dover, MA; Karthikeyan, Annamalai [Quincy, MA; Hengdong, Cui [Allston, MA

2009-09-15

A mixed ionic and electronic conducting membrane includes a two-phase solid state ceramic composite, wherein the first phase comprises an oxygen ion conductor and the second phase comprises an n-type electronically conductive oxide, wherein the electronically conductive oxide is stable at an oxygen partial pressure as low as 10.sup.-20 atm and has an electronic conductivity of at least 1 S/cm. A hydrogen separation system and related methods using the mixed ionic and electronic conducting membrane are described.

Hydrogenase activity in the thermophile mastigocladus laminosus

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

Benemann, J.R.; Miyamoto, K.; Hallenbeck, P.C.

Hydrogenase activity in the thermophilic cyanobacterium, Mastigocladus laminosus was studied both in vivo and in vitro. In vivo hydrogen consumption required oxygen but not light, was about ten-fold higher than in mesophilic cyanobacteria, and was relatively insensitive to carbon monoxide. H/sub 2/-supported acetylene reduction in reductant-limited cultures was a light-dependent, but O/sub 2/-independent reaction. In vitro hydrogen evolution was unaffected by carbon monoxide, and this activity could be partially purified using a procedure developed for Anabaena cylindrica.

Apparatus for separating and recovering hydrogen isotopes

DOEpatents

Heung, Leung K.

1994-01-01

An apparatus for recovering hydrogen and separating its isotopes. The apparatus includes a housing bearing at least a fluid inlet and a fluid outlet. A baffle is disposed within the housing, attached thereto by a bracket. A hollow conduit is coiled about the baffle, in spaced relation to the baffle and the housing. The coiled conduit is at least partially filled with a hydride. The hydride can be heated to a high temperature and cooled to a low temperature quickly by circulating a heat transfer fluid in the housing. The spacing between the baffle and the housing maximizes the heat exchange rate between the fluid in the housing and the hydride in the conduit. The apparatus can be used to recover hydrogen isotopes (protium, deuterium and tritium) from gaseous mixtures, or to separate hydrogen isotopes from each other.

Reactor cell assembly for use in spectroscopy and microscopy applications

DOEpatents

Grindstaff, Quirinus; Stowe, Ashley Clinton; Smyrl, Norm; Powell, Louis; McLane, Sam

2015-08-04

The present disclosure provides a reactor cell assembly that utilizes a novel design and that is wholly or partially manufactured from Aluminum, such that reactions involving Hydrogen, for example, including solid-gas reactions and thermal decomposition reactions, are not affected by any degree of Hydrogen outgassing. This reactor cell assembly can be utilized in a wide range of optical and laser spectroscopy applications, as well as optical microscopy applications, including high-temperature and high-pressure applications. The result is that the elucidation of the role of Hydrogen in the reactions studied can be achieved. Various window assemblies can be utilized, such that high temperatures and high pressures can be accommodated and the signals obtained can be optimized.

78 FR 67169 - Tentative Determination Regarding Partially Hydrogenated Oils; Request for Comments and for...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-08

... been used by the food industry in such products as margarine, shortening, and baked goods. The... consumers have alternatives containing lower levels of trans fat (e.g., cookies, baked goods, microwave...

Partial oxidation catalyst

DOEpatents

Krumpelt, Michael; Ahmed, Shabbir; Kumar, Romesh; Doshi, Rajiv

2000-01-01

A two-part catalyst comprising a dehydrogenation portion and an oxide-ion conducting portion. The dehydrogenation portion is a group VIII metal and the oxide-ion conducting portion is selected from a ceramic oxide crystallizing in the fluorite or perovskite structure. There is also disclosed a method of forming a hydrogen rich gas from a source of hydrocarbon fuel in which the hydrocarbon fuel contacts a two-part catalyst comprising a dehydrogenation portion and an oxide-ion conducting portion at a temperature not less than about 400.degree. C. for a time sufficient to generate the hydrogen rich gas while maintaining CO content less than about 5 volume percent. There is also disclosed a method of forming partially oxidized hydrocarbons from ethanes in which ethane gas contacts a two-part catalyst comprising a dehydrogenation portion and an oxide-ion conducting portion for a time and at a temperature sufficient to form an oxide.

Enzymatic production of trans fatty acid free fat from partially hydrogenated soybean oil (PHSO)--theory, strategy and practicability.

PubMed

Jala, Ram Chandra Reddy; Xu, Xuebing; Guo, Zheng

2013-12-01

Development of an advanced process/production technology for healthful fats constitutes a major interest of plant oil refinery industry. In this work, a strategy to produce trans fatty acid (TFA) free (or low TFA) products from partially hydrogenated soybean oil by lipase-catalysed selective hydrolysis was proposed, where a physically founded mathematic model to delineate the multi-responses of the reaction as a function of selectivity factor was defined for the first time. The practicability of this strategy was assessed with commercial trans-selective Candida antarctica lipase A (CAL-A) as a model biocatalyst based on a parameter study and fitting to the model. CAL-A was found to have a selectivity factor 4.26 and to maximally remove 73.3% of total TFAs at 46.5% hydrolysis degree. Copyright © 2013 Elsevier Ltd. All rights reserved.

The Use of Cryogenically Cooled 5A Molecular Sieves for Large Volume Reduction of Tritiated Hydrogen Gas

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

Antoniazzi, A.B.; Bartoszek, F.E.; Sherlock, A.M.

2006-07-01

A commercial hydrogen isotope separation system based on gas chromatography (AGC-ISS) has been built. The system operates in two modes: stripping and volume reduction. The purpose of the stripping mode is to reduce a large volume of tritiated hydrogen gas to a small volume of tritium rich hydrogen gas. The results here illustrate the effectiveness of the AGC-ISS in the stripping and volume reduction phases. Column readiness for hydrogen isotope separation is confirmed by room temperature air separation tests. Production runs were initially carried out using natural levels of deuterium (110-160 ppm) in high purity hydrogen. After completion of themore » deuterium/hydrogen runs the system began operations with tritiated hydrogen. The paper presents details of the AGC-ISS design and results of tritium tests. The heart of the AGC-ISS consists of two packed columns (9 m long, 3.8 cm OD) containing 5A molecular sieve material of 40/60 mesh size. Each column has 5 individually controlled heaters along the length of the column and is coiled around an inverted inner dewar. The coiled column and inner dewar are both contained within an outer dewar. In this arrangement liquid nitrogen, used to cryogenically cool the columns, flows into and out off the annular space defined by the two dewars, allowing for alternate heating and cooling cycles. Tritiated hydrogen feed is injected in batch quantities. The batch size is variable with the maximum quantity restricted by the tritium concentration in the exhausted hydrogen. The stripping operations can be carried out in full automated mode or in full manual mode. The average cycle time between injections is about 75 minutes. To date, the maximum throughput achieved is 10.5 m{sup 3}/day. A total of 37.8 m{sup 3} of tritiated hydrogen has been processed during commissioning. The system has demonstrated that venting of >99.95% of the feed gas is possible while retaining 99.98% of the tritium. At a maximum tritium concentration of {approx}7 GBq/m{sup 3} (190 mCi/m{sup 3}), processing tritiated hydrogen gas at a rate of 8.1 m{sup 3} (NTP)/day results in an average tritium concentration in the process effluent line of 1.4 MBq/m{sup 3} (37 {mu}Ci/m{sup 3}). The average process exhaust flow, split between helium and hydrogen, is 10.6 litre/min. Product from the stripping phase is stored on a 5 kg depleted uranium bed. A 250 g depleted uranium bed is available for storage of enriched product. Several, ionization type, tritium sensors are located throughout the process to control emissions, control valve switching, and monitor evolution of tritiated species from the columns. (authors)« less

Exospheric hydrogen above St-Santin /France/

NASA Technical Reports Server (NTRS)

Derieux, A.; Lejeune, G.; Bauer, P.

1975-01-01

The temperature and hydrogen concentration of the exosphere was determined using incoherent scatter measurements performed above St. Santin from 1969 to 1972. The hydrogen concentration was deduced from measurements of the number density of positive hydrogen and oxygen ions. A statistical analysis is given of the hydrogen concentration as a function of the exospheric temperature and the diurnal variation of the hydrogen concentration is investigated for a few selected days of good quality observation. The data averaged with respect to the exospheric temperature without consideration of the local time exhibits a distribution consistent with a constant effective Jeans escape flux of about 9 x 10 to the 7 cu cm/s. The local time variation exhibits a maximum to minimum concentration ratio of at least 3.5.

Impact of furan derivatives and phenolic compounds on hydrogen production from organic fraction of municipal solid waste using co-culture of Enterobacter aerogenes and E. coli.

PubMed

Sharma, Preeti; Melkania, Uma

2017-09-01

In the present study, the effect of furan derivatives (furfural and 5-hydroxymethylfurfural) and phenolic compounds (vanillin and syringaldehyde) on hydrogen production from organic fraction of municipal solid waste (OFMSW) was investigated using co-culture of facultative anaerobes Enterobacter aerogenes and E. coli. The inhibitors were applied in the concentration ranges of 0.25, 0.5, 1, 2 and 5g/L each. Inhibition coefficients of phenolic compounds were higher than those of furan derivatives and vanillin exhibited maximum inhibition coefficients correspondingly lowest hydrogen yield among all inhibitors. Furfural and 5-hydroxymethylfurfural addition resulted in an average decrease of 26.99% and 37.16% in hydrogen yield respectively, while vanillin and syringaldehyde resulted in 49.40% and 42.26% average decrease in hydrogen yield respectively. Further analysis revealed that Furfural and 5-hydroxymethylfurfural were completely degraded up to concentrations of 1g/L, while vanillin and syringaldehyde were degraded completely up to the concentration of 0.5g/L. Volatile fatty acid generation decreased with inhibitors addition. Copyright © 2017 Elsevier Ltd. All rights reserved.

Determining air quality and greenhouse gas impacts of hydrogen infrastructure and fuel cell vehicles.

PubMed

Stephens-Romero, Shane; Carreras-Sospedra, Marc; Brouwer, Jacob; Dabdub, Donald; Samuelsen, Scott

2009-12-01

Adoption of hydrogen infrastructure and hydrogen fuel cell vehicles (HFCVs) to replace gasoline internal combustion engine (ICE) vehicles has been proposed as a strategy to reduce criteria pollutant and greenhouse gas (GHG) emissions from the transportation sector and transition to fuel independence. However, it is uncertain (1) to what degree the reduction in criteria pollutants will impact urban air quality, and (2) how the reductions in pollutant emissions and concomitant urban air quality impacts compare to ultralow emission gasoline-powered vehicles projected for a future year (e.g., 2060). To address these questions, the present study introduces a "spatially and temporally resolved energy and environment tool" (STREET) to characterize the pollutant and GHG emissions associated with a comprehensive hydrogen supply infrastructure and HFCVs at a high level of geographic and temporal resolution. To demonstrate the utility of STREET, two spatially and temporally resolved scenarios for hydrogen infrastructure are evaluated in a prototypical urban airshed (the South Coast Air Basin of California) using geographic information systems (GIS) data. The well-to-wheels (WTW) GHG emissions are quantified and the air quality is established using a detailed atmospheric chemistry and transport model followed by a comparison to a future gasoline scenario comprised of advanced ICE vehicles. One hydrogen scenario includes more renewable primary energy sources for hydrogen generation and the other includes more fossil fuel sources. The two scenarios encompass a variety of hydrogen generation, distribution, and fueling strategies. GHG emissions reductions range from 61 to 68% for both hydrogen scenarios in parallel with substantial improvements in urban air quality (e.g., reductions of 10 ppb in peak 8-h-averaged ozone and 6 mug/m(3) in 24-h-averaged particulate matter concentrations, particularly in regions of the airshed where concentrations are highest for the gasoline scenario).

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.

Effect of a trans fatty acid-enriched diet on biochemical and inflammatory parameters in Wistar rats.

PubMed

Longhi, Rafael; Almeida, Roberto Farina; Machado, Letiane; Duarte, Maria Marta Medeiros Frescura; Souza, Débora Guerini; Machado, Priscila; de Assis, Adriano Martimbianco; Quincozes-Santos, André; Souza, Diogo Onofre

2017-04-01

Recent data regarding trans fatty acids (TFAs) have implicated these lipids as particularly deleterious to human health, causing systemic inflammation, endothelial dysfunction and possibly inflammation in the central nervous system (CNS). We aimed to clarify the impact of partially hydrogenated soybean oil (PHSO) with different TFA concentrations on cerebrospinal fluid (CSF), serum and hepatic parameters in adult Wistar rats. Wistar rats (n = 15/group) were fed either a normolipidic diet or a hyperlipidic diet for 90 days. The normolipidic and hyperlipidic diets had the same ingredients except for fat compositions, concentrations and calories. We used lard in the cis fatty acid group and PHSO in the trans fatty acid group. The intervention groups were as follows: (1) low lard (LL), (2) high lard (HL), (3) low partially hydrogenated soybean oil (LPHSO) and (4) high partially hydrogenated soybean oil (HPHSO). Body weight, lipid profiles and the inflammatory responses in the CSF, serum and liver tissue were analyzed. Surprisingly, with the PHSO diet we observed a worse metabolic response that was associated with oxidative stress in hepatic tissue as well as impaired serum and CSF fluid parameters at both PHSO concentrations. In many analyses, there were no significant differences between the LPHSO and HPHSO diets. Dietary supplementation with PHSO impaired inflammatory parameters in CSF and blood, induced insulin resistance, altered lipid profiles and caused hepatic damage. Overall, these findings suggest that fat composition is more important than the quantity of fat consumed in terms of cis and trans fatty acid diets.

Estimating 1970-99 average annual groundwater recharge in Wisconsin using streamflow data

USGS Publications Warehouse

Gebert, Warren A.; Walker, John F.; Kennedy, James L.

2011-01-01

Average annual recharge in Wisconsin for the period 1970-99 was estimated using streamflow data from U.S. Geological Survey continuous-record streamflow-gaging stations and partial-record sites. Partial-record sites have discharge measurements collected during low-flow conditions. The average annual base flow of a stream divided by the drainage area is a good approximation of the recharge rate; therefore, once average annual base flow is determined recharge can be calculated. Estimates of recharge for nearly 72 percent of the surface area of the State are provided. The results illustrate substantial spatial variability of recharge across the State, ranging from less than 1 inch to more than 12 inches per year. The average basin size for partial-record sites (50 square miles) was less than the average basin size for the gaging stations (305 square miles). Including results for smaller basins reveals a spatial variability that otherwise would be smoothed out using only estimates for larger basins. An error analysis indicates that the techniques used provide base flow estimates with standard errors ranging from 5.4 to 14 percent.

The hydration of amides in helices; a comprehensive picture from molecular dynamics, IR, and NMR

PubMed Central

Walsh, Scott T.R.; Cheng, Richard P.; Wright, Wayne W.; Alonso, Darwin O.V.; Daggett, Valerie; Vanderkooi, Jane M.; DeGrado, William F.

2003-01-01

We examined the hydration of amides of α3D, a simple, designed three-helix bundle protein. Molecular dynamics calculations show that the amide carbonyls on the surface of the protein tilt away from the helical axis to interact with solvent water, resulting in a lengthening of the hydrogen bonds on this face of the helix. Water molecules are bonded to these carbonyl groups with partial occupancy (∼50%–70%), and their interaction geometries show a large variation in their hydrogen bond lengths and angles on the nsec time scale. This heterogeneity is reflected in the carbonyl stretching vibration (amide I′ band) of a group of surface Ala residues. The surface-exposed amides are broad, and shift to lower frequency (reflecting strengthening of the hydrogen bonds) as the temperature is decreased. By contrast, the amide I′ bands of the buried 13C-labeled Leu residues are significantly sharper and their frequencies are consistent with the formation of strong hydrogen bonds, independent of temperature. The rates of hydrogen-deuterium exchange and the proton NMR chemical shifts of the helical amide groups also depend on environment. The partial occupancy of the hydration sites on the surface of helices suggests that the interaction is relatively weak, on the order of thermal energy at room temperature. One unexpected feature that emerged from the dynamics calculations was that a Thr side chain subtly disrupted the helical geometry 4–7 residues N-terminal in sequence, which was reflected in the proton chemical shifts and the rates of amide proton exchange for several amides that engage in a mixed 310/α/π-helical conformation. PMID:12592022

Effect of oxygen dosing point and mixing on the microaerobic removal of hydrogen sulphide in sludge digesters.

PubMed

Díaz, I; Pérez, S I; Ferrero, E M; Fdz-Polanco, M

2011-02-01

Limited oxygen supply to anaerobic sludge digesters to remove hydrogen sulphide from biogas was studied. Micro-oxygenation showed competitive performance to reduce considerably the additional equipment necessary to perform biogas desulphurization. Two pilot-plant digesters with an HRT of ∼ 20 d were micro-oxygenated at a rate of 0.25 NL per L of feed sludge with a removal efficiency higher than 98%. The way of mixing (sludge or biogas recirculation) and the point of oxygen supply (headspace or liquid phase) played an important role on hydrogen sulphide oxidation. While micro-oxygenation with sludge recirculation removed only hydrogen sulphide from the biogas, dissolved sulphide was removed if micro-oxygenation was performed with biogas recirculation. Dosage in the headspace resulted in a more stable operation. The result of the hydrogen sulphide oxidation was mostly elemental sulphur, partially accumulated in the headspace of the digester, where different sulphide-oxidising bacteria were found. Copyright © 2010 Elsevier Ltd. All rights reserved.

Effect of hydrogen intercalation on the critical parameters of YBa2Cu3O y

NASA Astrophysics Data System (ADS)

Bobylev, I. B.; Gerasimov, E. G.; Zyuzeva, N. A.; Terent'ev, P. B.

2017-10-01

The effect of hydrogenation at T = 150 and 200°C on the electrophysical properties of highly textured YBa2Cu3O y ceramics with different oxygen content has been investigated. Like hydration, hydrogenation results in the deterioration of these properties. However, in samples with high oxygen contents ( y = 6.96) hydrogenated at T = 150°C after oxidation (400°C) or recovery annealing with subsequent oxidation, the critical current density and first critical field increase compared to the initial state. The improvement of the properties occurs mainly in a magnetic field applied perpendicularly to the c axis. As after hydration, this is connected with the formation of planar defects in the course of low-temperature annealing. In addition, in the process of the hydrogenation, the partial reduction of copper occurs with the formation of microinclusions of Cu2O and other products of chemical decomposition, which are extra pinning centers of magnetic vortices.

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

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

In situ hydrogenation and decarboxylation of oleic acid into heptadecane over a Cu–Ni alloy catalyst using methanol as a hydrogen carrier

DOE PAGES

Zhang, Zihao; Yang, Qiwei; Chen, Hao; ...

2017-10-13

In this paper, supported Cu–Ni bimetallic catalysts were synthesized and evaluated for the in situ hydrogenation and decarboxylation of oleic acid using methanol as a hydrogen donor. The supported Cu–Ni alloy exhibited a significant improvement in both activity and selectivity towards the production of heptadecane in comparison with monometallic Cu and Ni based catalysts. The formation of the Cu–Ni alloy is demonstrated by high-angle annular dark-field scanning transmission electron microscopy (HADDF-STEM), energy dispersive X-ray spectroscopy (EDS-mapping), X-ray diffraction (XRD) and temperature programmed reduction (TPR). A partially oxidized Cu in the Cu–Ni alloy is revealed by diffuse reflectance infrared Fourier transformmore » spectroscopy (DRIFTS) following CO adsorption and X-ray photoelectron spectroscopy (XPS). The temperature programmed desorption of ethylene and propane (ethylene/propane-TPD) suggested that the formation of the Cu–Ni alloy inhibited the cracking of C–C bonds compared to Ni, and remarkably increased the selectivity to heptadecane. The temperature programmed desorption of acetic acid (acetic acid-TPD) indicated that the bimetallic Cu–Ni alloy and Ni catalysts had a stronger adsorption of acetic acid than that of the Cu catalyst. Finally, the formation of the Cu–Ni alloy and a partially oxidized Cu facilitates the decarboxylation reaction and inhibits the cracking reaction of C–C bonds, leading to enhanced catalytic activity and selectivity.« less

In situ hydrogenation and decarboxylation of oleic acid into heptadecane over a Cu–Ni alloy catalyst using methanol as a hydrogen carrier

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

Zhang, Zihao; Yang, Qiwei; Chen, Hao

In this paper, supported Cu–Ni bimetallic catalysts were synthesized and evaluated for the in situ hydrogenation and decarboxylation of oleic acid using methanol as a hydrogen donor. The supported Cu–Ni alloy exhibited a significant improvement in both activity and selectivity towards the production of heptadecane in comparison with monometallic Cu and Ni based catalysts. The formation of the Cu–Ni alloy is demonstrated by high-angle annular dark-field scanning transmission electron microscopy (HADDF-STEM), energy dispersive X-ray spectroscopy (EDS-mapping), X-ray diffraction (XRD) and temperature programmed reduction (TPR). A partially oxidized Cu in the Cu–Ni alloy is revealed by diffuse reflectance infrared Fourier transformmore » spectroscopy (DRIFTS) following CO adsorption and X-ray photoelectron spectroscopy (XPS). The temperature programmed desorption of ethylene and propane (ethylene/propane-TPD) suggested that the formation of the Cu–Ni alloy inhibited the cracking of C–C bonds compared to Ni, and remarkably increased the selectivity to heptadecane. The temperature programmed desorption of acetic acid (acetic acid-TPD) indicated that the bimetallic Cu–Ni alloy and Ni catalysts had a stronger adsorption of acetic acid than that of the Cu catalyst. Finally, the formation of the Cu–Ni alloy and a partially oxidized Cu facilitates the decarboxylation reaction and inhibits the cracking reaction of C–C bonds, leading to enhanced catalytic activity and selectivity.« less

Plasma catalytic reforming of methane

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

Bromberg, L.; Cohn, D.R.; Rabinovich, A.

1998-08-01

Thermal plasma technology can be efficiently used in the production of hydrogen and hydrogen-rich gases from methane and a variety of fuels. This paper describes progress in plasma reforming experiments and calculations of high temperature conversion of methane using heterogeneous processes. The thermal plasma is a highly energetic state of matter that is characterized by extremely high temperatures (several thousand degrees Celsius) and high degree of dissociation and substantial degree of ionization. The high temperatures accelerate the reactions involved in the reforming process. Hydrogen-rich gas (50% H{sub 2}, 17% CO and 33% N{sub 2}, for partial oxidation/water shifting) can bemore » efficiently made in compact plasma reformers. Experiments have been carried out in a small device (2--3 kW) and without the use of efficient heat regeneration. For partial oxidation/water shifting, it was determined that the specific energy consumption in the plasma reforming processes is 16 MJ/kg H{sub 2} with high conversion efficiencies. Larger plasmatrons, better reactor thermal insulation, efficient heat regeneration and improved plasma catalysis could also play a major role in specific energy consumption reduction and increasing the methane conversion. A system has been demonstrated for hydrogen production with low CO content ({approximately} 1.5%) with power densities of {approximately} 30 kW (H{sub 2} HHV)/liter of reactor, or {approximately} 10 m{sup 3}/hr H{sub 2} per liter of reactor. Power density should further increase with increased power and improved design.« less

Method to grow carbon thin films consisting entirely of diamond grains 3-5 nm in size and high-energy grain boundaries

DOEpatents

Carlisle, John A.; Auciello, Orlando; Birrell, James

2006-10-31

An ultrananocrystalline diamond (UNCD) having an average grain size between 3 and 5 nanometers (nm) with not more than about 8% by volume diamond having an average grain size larger than 10 nm. A method of manufacturing UNCD film is also disclosed in which a vapor of acetylene and hydrogen in an inert gas other than He wherein the volume ratio of acetylene to hydrogen is greater than 0.35 and less than 0.85, with the balance being an inert gas, is subjected to a suitable amount of energy to fragment at least some of the acetylene to form a UNCD film having an average grain size of 3 to 5 nm with not more than about 8% by volume diamond having an average grain size larger than 10 nm.

Photoelectron spectroscopy and density functional theory studies of (FeS)mH- (m = 2-4) cluster anions: effects of the single hydrogen.

PubMed

Yin, Shi; Bernstein, Elliot R

2017-12-20

Single hydrogen containing iron hydrosulfide cluster anions (FeS) m H - (m = 2-4) are studied by photoelectron spectroscopy (PES) at 3.492 eV (355 nm) and 4.661 eV (266 nm) photon energies, and by Density Functional Theory (DFT) calculations. The structural properties, relative energies of different spin states and isomers, and the first calculated vertical detachment energies (VDEs) of different spin states for these (FeS) m H - (m = 2-4) cluster anions are investigated at various reasonable theory levels. Two types of structural isomers are found for these (FeS) m H - (m = 2-4) clusters: (1) the single hydrogen atom bonds to a sulfur site (SH-type); and (2) the single hydrogen atom bonds to an iron site (FeH-type). Experimental and theoretical results suggest such available different SH- and FeH-type structural isomers should be considered when evaluating the properties and behavior of these single hydrogen containing iron sulfide clusters in real chemical and biological systems. Compared to their related, respective pure iron sulfur (FeS) m - clusters, the first VDE trend of the diverse type (FeS) m H 0,1 - (m = 1-4) clusters can be understood through (1) the different electron distribution properties of their highest singly occupied molecular orbital employing natural bond orbital analysis (NBO/HSOMO), and (2) the partial charge distribution on the NBO/HSOMO localized sites of each cluster anion. Generally, the properties of the NBO/HSOMOs play the principal role with regard to the physical and chemical properties of all the anions. The change of cluster VDE from low to high is associated with the change in nature of their NBO/HSOMO from a dipole bound and valence electron mixed character, to a valence p orbital on S, to a valence d orbital on Fe, and to a valence p orbital on Fe or an Fe-Fe delocalized valence bonding orbital. For clusters having the same properties for NBO/HSOMOs, the partial charge distributions at the NBO/HSOMO localized sites additionally affect their VDEs: a more negative or less positive localized charge distribution is correlated with a lower first VDE. The single hydrogen in these (FeS) m H - (m = 2-4) cluster anions is suggested to affect their first VDEs through the different structure types (SH- or FeH-), the nature of the NBO/HSOMOs at the local site, and the value of partial charge number at the local site of the NBO/HSOMO.

Performance of Velicer's Minimum Average Partial Factor Retention Method with Categorical Variables

ERIC Educational Resources Information Center

Garrido, Luis E.; Abad, Francisco J.; Ponsoda, Vicente

2011-01-01

Despite strong evidence supporting the use of Velicer's minimum average partial (MAP) method to establish the dimensionality of continuous variables, little is known about its performance with categorical data. Seeking to fill this void, the current study takes an in-depth look at the performance of the MAP procedure in the presence of…

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.

(Non) formation of methanol by direct hydrogenation of formate on copper catalysts

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

Yang, Yong; Mims, Charles A.; Disselkamp, Robert S.

2010-10-14

We have attempted to hydrogenate adsorbed formate species on copper catalysts to probe the importance of this postulated mechanistic step in methanol synthesis. Surface formate coverages up to 0.25 were produced at temperatures between 413K and 453K on supported (Cu/SiO2) copper and unsupported copper catalysts. The adlayers were produced by various methods including (1) steady state catalytic conditions in CO2-H2 (3:1, 6 bar) atmospheres, and (2) by exposure of the catalysts to formic acid. As reported in earlier work, the catalytic surface at steady state contains bidentate formate species with coverages up to saturation levels of ~ 0.25 at themore » low temperatures of this study. The reactivity of these formate adlayers was investigated at relevant reaction temperatures in atmospheres containing up to 6 bar H2 partial pressure by simultaneous mass spectrometry (MS) and infrared (IR) spectroscopy measurements. The yield of methanol during the attempted hydrogenation (“titration”) of these adlayers was insignificant (<0.2 mol % of the formate adlayer) even in dry hydrogen partial pressures up to 6 bar. Hydrogen titration of formate species produced from formic acid also failed to produce significant quantities of methanol, and attempted titration in gases consisting of CO-hydrogen mixtures or dry CO2 were also unproductive. The formate decomposition kinetics, measured by IR, were also unaffected by these changes in the gas composition. Similar experiments on unsupported copper also failed to show any methanol. From these results, we conclude that methanol synthesis on copper cannot result from the direct hydrogenation of (bidentate) formate species in simple steps involving adsorbed H species alone. Furthermore, experiments performed on both supported (Cu/SiO2) and unsupported copper catalysts gave similar results implying that the methanol synthesis reaction mechanism only involves metal surface chemistry. Pre-exposure of the bidentate formate adlayer to oxidation by O2 or N2O produces a change to a monodentate configuration. Attempted titration of this monodentate formate/O coadsorbed layer in dry hydrogen produces significant quantities of methanol, although decomposition of formate to carbon dioxide and hydrogen remains the dominant reaction pathway. Simultaneous production of water is also observed during this titration as the copper surface is re-reduced. These results indicate that co-adsorbates related to surface oxygen or water-derived species may be critical to methanol production on copper, perhaps assisting in the hydrogenation of adsorbed formate to adsorbed methoxyl.« less

Generating Aromatics From CO2 on Mars or Natural Gas on Earth

NASA Technical Reports Server (NTRS)

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

2006-01-01

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

Transportation Fuels and the Hydrogen Economy

NASA Astrophysics Data System (ADS)

Gabbard, Alex

2004-11-01

An energy analysis of transportation fuels is performed for comparing automobiles and fuels currently in the marketplace as real world benchmarks projected as "hydrogen economy" requirements. Comparisons are made for ideal case average energy values at Standard Temperature and Pressure (STP) at 20°C, 1 atmosphere with no loses. "Real world" benchmarks currently in the marketplace illuminate the challenges to be met if an equivalent "hydrogen economy" is to become reality. The idea of a "hydrogen economy" is that, at some time in the future, world energy needs will be supplied in part or totally from hydrogen; in part as compared to the current "petroleum economy" that is the source of most of the world's transportation fuels and only a portion of total energy use, or hydrogen as the source of all energy consumption.

Effects of cerium on the hydrogen absorption-desorption properties of rare earth-Mg-Ni hydrogen-absorbing alloys

NASA Astrophysics Data System (ADS)

Yasuoka, Shigekazu; Ishida, Jun; Kishida, Kyosuke; Inui, Haruyuki

2017-04-01

The influence of Ce addition on the phase constitution, microstructure, hydrogen absorption/desorption properties and battery performances of newly developed rare earth (RE)-Mg-Ni hydrogen-absorbing superlattice alloys for negative electrode materials in Ni-metal hydride (MH) batteries were investigated. The partial substitution of RE (La and Nd) with Ce results in a higher discharge performance and a lower cycle life in the battery. The Ce addition greatly affects the phase constitution, which is mainly characterized by increased formation of the AB2 phase (A = RE or Mg and B = Ni or Al). The existence of the AB2 phase is found to accelerate alloy pulverization and oxidation when the alloys are used as negative electrode materials in Ni-MH model cells. The accelerated pulverization and oxidation are considered to be responsible for the observed higher discharge performance and lower cycle life in the batteries, respectively.

Nanoscopic length scale dependence of hydrogen bonded molecular associates’ dynamics in methanol

PubMed Central

Bertrand, C. E.; Self, J. L.; Copley, J. R. D.; Faraone, A.

2017-01-01

In a recent paper [C. E. Bertrand et al., J. Chem. Phys. 145, 014502 (2016)], we have shown that the collective dynamics of methanol shows a fast relaxation process related to the standard density-fluctuation heat mode and a slow non-Fickian mode originating from the hydrogen bonded molecular associates. Here we report on the length scale dependence of this slow relaxation process. Using quasielastic neutron scattering and molecular dynamics simulations, we show that the dynamics of the slow process is affected by the structuring of the associates, which is accessible through polarized neutron diffraction experiments. Using a series of partially deuterated samples, the dynamics of the associates is investigated and is found to have a similar time scale to the lifetime of hydrogen bonding in the system. Both the structural relaxation and the dynamics of the associates are thermally activated by the breaking of hydrogen bonding. PMID:28527447

Hydrogen Storage Characteristics of Nanocrystalline and Amorphous Nd-Mg-Ni-Based NdMg12-Type Alloys Synthesized via Mechanical Milling

NASA Astrophysics Data System (ADS)

Zhang, Yanghuan; Shang, Hongwei; Hou, Zhonghui; Yuan, Zeming; Yang, Tai; Qi, Yan

2016-12-01

In this study, Mg was partially substituted by Ni with the intent of improving the hydrogen storage kinetics performance of NdMg12-type alloy. Mechanical milling technology was adopted to fabricate the nanocrystalline and amorphous NdMg11Ni + x wt pct Ni ( x = 100, 200) alloys. The effects of Ni content and milling duration on the microstructures and hydrogen storage kinetics of as-milled alloys have been systematically investigated. The structures were characterized by XRD and HRTEM. The electrochemical hydrogen storage properties were tested by an automatic galvanostatic system. Moreover, the gaseous hydrogen storage properties were investigated by Sievert apparatus and a differential scanning calorimeter connected with a H2 detector. Hydrogen desorption activation energy of alloy hydrides was estimated by using Arrhenius and Kissinger methods. The results reveal that the increase of Ni content dramatically ameliorates the gaseous and electrochemical hydrogen storage kinetics performance of the as-milled alloys. Furthermore, high rate discharge ability (HRD) reach the maximum value with the variation of milling time. The maximum HRDs of the NdMg11Ni + x wt pct Ni ( x = 100, 200) alloys are 80.24 and 85.17 pct. The improved gaseous hydrogen storage kinetics of alloys via increasing Ni content and milling time can be attributed to a decrease in the hydrogen desorption activation energy.

Neutron beam characterization measurements at the Manuel Lujan Jr. neutron scattering center

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

Mocko, Michal; Muhrer, Guenter; Daemen, Luke L

We have measured the neutron beam characteristics of neutron moderators at the Manuel Lujan Jr. Neutron Scattering Center at LANSCE. The absolute thermal neutron flux, energy spectra and time emission spectra were measured for the high resolution and high intensity decoupled water, partially coupled liquid hydrogen and partially coupled water moderators. The results of our experimental study will provide an insight into aging of different target-moderator-reflector-shield components as well as new experimental data for benchmarking of neutron transport codes.

Process and apparatus for the production of hydrogen by steam reforming of hydrocarbon

DOEpatents

Sircar, Shivaji; Hufton, Jeffrey Raymond; Nataraj, Shankar

2000-01-01

In the steam reforming of hydrocarbon, particularly methane, under elevated temperature and pressure to produce hydrogen, a feed of steam and hydrocarbon is fed into a first reaction volume containing essentially only reforming catalyst to partially reform the feed. The balance of the feed and the reaction products of carbon dioxide and hydrogen are then fed into a second reaction volume containing a mixture of catalyst and adsorbent which removes the carbon dioxide from the reaction zone as it is formed. The process is conducted in a cycle which includes these reactions followed by countercurrent depressurization and purge of the adsorbent to regenerate it and repressurization of the reaction volumes preparatory to repeating the reaction-sorption phase of the cycle.

Using light transmission to watch hydrogen diffuse

PubMed Central

Pálsson, Gunnar K.; Bliersbach, Andreas; Wolff, Max; Zamani, Atieh; Hjörvarsson, Björgvin

2012-01-01

Because of its light weight and small size, hydrogen exhibits one of the fastest diffusion rates in solid materials, comparable to the diffusion rate of liquid water molecules at room temperature. The diffusion rate is determined by an intricate combination of quantum effects and dynamic interplay with the displacement of host atoms that is still only partially understood. Here we present direct observations of the spatial and temporal changes in the diffusion-induced concentration profiles in a vanadium single crystal and we show that the results represent the experimental counterpart of the full time and spatial solution of Fick's diffusion equation. We validate the approach by determining the diffusion rate of hydrogen in a single crystal vanadium (001) film, with net diffusion in the [110] direction. PMID:22692535

The hydrogen isotope ratio in W7-AS during deuterium NBI heating

NASA Astrophysics Data System (ADS)

Zebisch, P.; Taglauer, E.; W7-AS Team; NBI Team

1999-04-01

With a so-called sniffer probe the fraction of hydrogen during discharges with deuterium NBI heating was studied in the plasma edge of the stellarator W7-AS. As expected, the ratios were significantly lower than in discharges with hydrogen NBI heating but were higher than those in discharges with only ECRH. An examination of the possible reasons for this increase concludes that it is not only partially caused by the direct influence of neutral injection but also depends on the energy content of the plasma determined by the heating power and the confinement time. Of course, the isotope ratio also depends on the starting conditions, i.e. the isotope ratio before the onset of NBI.

Using light transmission to watch hydrogen diffuse

NASA Astrophysics Data System (ADS)

Pálsson, Gunnar K.; Bliersbach, Andreas; Wolff, Max; Zamani, Atieh; Hjörvarsson, Björgvin

2012-06-01

Because of its light weight and small size, hydrogen exhibits one of the fastest diffusion rates in solid materials, comparable to the diffusion rate of liquid water molecules at room temperature. The diffusion rate is determined by an intricate combination of quantum effects and dynamic interplay with the displacement of host atoms that is still only partially understood. Here we present direct observations of the spatial and temporal changes in the diffusion-induced concentration profiles in a vanadium single crystal and we show that the results represent the experimental counterpart of the full time and spatial solution of Fick's diffusion equation. We validate the approach by determining the diffusion rate of hydrogen in a single crystal vanadium (001) film, with net diffusion in the [110] direction.

Hydrogen-rich saline alleviates experimental noise-induced hearing loss in guinea pigs.

PubMed

Zhou, Y; Zheng, H; Ruan, F; Chen, X; Zheng, G; Kang, M; Zhang, Q; Sun, X

2012-05-03

To examine the efficiency of hydrogen-rich saline in the treatment of intensive noise-induced cochlear injury. Forty guinea pigs were assigned to one of four groups: HS+NOISE (i.p. injection hydrogen-rich saline), NS+NOISE (i.p. injection normal saline), NOISE ALONE (noise control), and NO TREATMENT (normal control) groups. The HS+NOISE, NS+NOISE, and NOISE ALONE groups were exposed to intensive noise (4 h at 115 dB SPL noise of 4000±100 Hz). The auditory brainstem response (ABR) was used to examine the hearing threshold in each group. Distortion product otoacoustic emission (DPOAE) was used to examine outer hair cell function. We also examined cochlear morphology to evaluate inner and outer hair cell trauma induced by noise exposure. Hydrogen-rich saline was administered twice daily for 6 days (2.5 ml/kg, i.p.) 24 h after noise exposure. Baseline ABR thresholds and DPOAE values were normal in all groups at the measured frequencies (2, 4, 8, and 16 kHz) before noise exposure. The ABR threshold shift was 50-55 dB across the frequencies tested, and average DPOAE declined in the NOISE ALONE, NS+NOISE, and HS+NOISE groups 24 h after noise exposure. However, the changes in cochlear parameters were different between groups. The HS+NOISE group showed a significantly decreased ABR threshold value as compared with the NS+NOISE or NOISE ALONE group (P<0.01) on day 7. The mean DPOAE recovered to some extent in the three noise exposure groups, but at most frequencies the HS+NOISE group showed significantly increased DPOAE on day 7 as compared with the NS+NOISE group or NOISE ALONE group (P<0.01). Surface Corti organ preparations stained with succinate dehydrogenase (SDH) showed that most outer hair cells (OHCs) were still dropsical and a few were missing 7 days after noise exposure in the NS+NOISE group. Only a few OHCs were slightly dropsical in the HS+NOISE group. The numbers of missing hair cells 7 days after noise exposure were significantly greater in the NOISE ONLY and NS+NOISE groups than the HS+NOISE group (P<0.01). Hydrogen-rich saline can alleviate experimental noise-induced hearing loss in guinea pigs, partially by preventing the death of cochlear hair cells after intensive noise exposure. Copyright © 2012 IBRO. Published by Elsevier Ltd. All rights reserved.

Predictive sensor method and apparatus

NASA Technical Reports Server (NTRS)

Nail, William L. (Inventor); Koger, Thomas L. (Inventor); Cambridge, Vivien (Inventor)

1990-01-01

A predictive algorithm is used to determine, in near real time, the steady state response of a slow responding sensor such as hydrogen gas sensor of the type which produces an output current proportional to the partial pressure of the hydrogen present. A microprocessor connected to the sensor samples the sensor output at small regular time intervals and predicts the steady state response of the sensor in response to a perturbation in the parameter being sensed, based on the beginning and end samples of the sensor output for the current sample time interval.

Two-dimensional imaging of molecular hydrogen in H2-air diffusion flames using two-photon laser-induced fluorescence

NASA Technical Reports Server (NTRS)

Lempert, W.; Kumar, V.; Glesk, I.; Miles, R.; Diskin, G.

1991-01-01

The use of a tunable ArF laser at 193.26 nm to record simultaneous single-laser-shot, planar images of molecular hydrogen and hot oxygen in a turbulent H2-air diffusion flame. Excitation spectra of fuel and oxidant-rich flame zones confirm a partial overlap of the two-photon H2 and single-photon O2 Schumann-Runge absorption bands. UV Rayleigh scattering images of flame structure and estimated detection limits for the H2 two-photon imaging are also presented.

Hydrogen fuel dispensing station for transportation vehicles

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

Singh, S.P.N.; Richmond, A.A.

1995-07-01

A technical and economic assessment is being conducted of a hydrogen fuel dispensing station to develop an understanding of the infrastructure requirements for supplying hydrogen fuel for mobile applications. The study includes a process design of a conceptual small-scale, stand-alone, grassroots fuel dispensing facility (similar to the present-day gasoline stations) producing hydrogen by steam reforming of natural gas. Other hydrogen production processes (such as partial oxidation of hydrocarbons and water electrolysis) were reviewed to determine their suitability for manufacturing the hydrogen. The study includes an assessment of the environmental and other regulatory permitting requirements likely to be imposed on amore » hydrogen fuel dispensing station for transportation vehicles. The assessment concludes that a dispensing station designed to produce 0.75 million standard cubic feet of fuel grade (99.99%+ purity) hydrogen will meet the fuel needs of 300 light-duty vehicles per day. Preliminary economics place the total capital investment (in 1994 US dollars) for the dispensing station at $4.5 million and the annual operating costs at around $1 million. A discounted cash-flow analysis indicates that the fuel hydrogen product price (excluding taxes) to range between $1.37 to $2.31 per pound of hydrogen, depending upon the natural gas price, the plant financing scenario, and the rate of return on equity capital. A report on the assessment is due in June 1995. This paper presents a summary of the current status of the assessment.« less

7-Nitro-4-(phenylthio)benzofurazan is a potent generator of superoxide and hydrogen peroxide.

PubMed

Patridge, Eric V; Eriksson, Emma S E; Penketh, Philip G; Baumann, Raymond P; Zhu, Rui; Shyam, Krishnamurthy; Eriksson, Leif A; Sartorelli, Alan C

2012-10-01

Here, we report on 7-nitro-4-(phenylthio)benzofurazan (NBF-SPh), the most potent derivative among a set of patented anticancer 7-nitrobenzofurazans (NBFs), which have been suggested to function by perturbing protein-protein interactions. We demonstrate that NBF-SPh participates in toxic redox-cycling, rapidly generating reactive oxygen species (ROS) in the presence of molecular oxygen, and this is the first report to detail ROS production for any of the anticancer NBFs. Oxygraph studies showed that NBF-SPh consumes molecular oxygen at a substantial rate, rivaling even plumbagin, menadione, and juglone. Biochemical and enzymatic assays identified superoxide and hydrogen peroxide as products of its redox-cycling activity, and the rapid rate of ROS production appears to be sufficient to account for some of the toxicity of NBF-SPh (LC(50) = 12.1 μM), possibly explaining why tumor cells exhibit a sharp threshold for tolerating the compound. In cell cultures, lipid peroxidation was enhanced after treatment with NBF-SPh, as measured by 2-thiobarbituric acid-reactive substances, indicating a significant accumulation of ROS. Thioglycerol rescued cell death and increased survival by 15-fold to 20-fold, but pyruvate and uric acid were ineffective protectants. We also observed that the redox-cycling activity of NBF-SPh became exhausted after an average of approximately 19 cycles per NBF-SPh molecule. Electrochemical and computational analyses suggest that partial reduction of NBF-SPh enhances electrophilicity, which appears to encourage scavenging activity and contribute to electrophilic toxicity.

7-Nitro-4-(phenylthio)benzofurazan is a potent generator of superoxide and hydrogen peroxide

PubMed Central

Eriksson, Emma S. E.; Penketh, Philip G.; Baumann, Raymond P.; Zhu, Rui; Shyam, Krishnamurthy; Eriksson, Leif A.; Sartorelli, Alan C.

2013-01-01

Here, we report on 7-nitro-4-(phenylthio) benzofurazan (NBF-SPh), the most potent derivative among a set of patented anticancer 7-nitrobenzofurazans (NBFs), which have been suggested to function by perturbing protein–protein interactions. We demonstrate that NBF-SPh participates in toxic redox-cycling, rapidly generating reactive oxygen species (ROS) in the presence of molecular oxygen, and this is the first report to detail ROS production for any of the anticancer NBFs. Oxygraph studies showed that NBF-SPh consumes molecular oxygen at a substantial rate, rivaling even plumbagin, menadione, and juglone. Biochemical and enzymatic assays identified superoxide and hydrogen peroxide as products of its redox-cycling activity, and the rapid rate of ROS production appears to be sufficient to account for some of the toxicity of NBF-SPh (LC50 = 12.1 µM), possibly explaining why tumor cells exhibit a sharp threshold for tolerating the compound. In cell cultures, lipid peroxidation was enhanced after treatment with NBF-SPh, as measured by 2-thiobarbituric acid-reactive substances, indicating a significant accumulation of ROS. Thioglycerol rescued cell death and increased survival by 15-fold to 20-fold, but pyruvate and uric acid were ineffective protectants. We also observed that the redox-cycling activity of NBF-SPh became exhausted after an average of approximately 19 cycles per NBF-SPh molecule. Electrochemical and computational analyses suggest that partial reduction of NBF-SPh enhances electrophilicity, which appears to encourage scavenging activity and contribute to electrophilic toxicity. PMID:22669514

Growth of ponderosa pine stands in relation to mountain pine beetle susceptibility

Treesearch

R. A. Obedzinski; J. M. Schmid; S. A. Mata; W. K. Olsen; R. R. Kessler

1999-01-01

Ten-year diameter and basal area growth were determined for partially cut stands at 4 locations. Average diameters in the partially cut plots generally increased by 1 inch or more, while average diameter in the uncut controls increased by 0.9 inches or less. Individual tree growth is discussed in relation to potential susceptibility to mountain pine beetle infestation...

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Controlling the hydrogenolysis of silica-supported tungsten pentamethyl leads to a class of highly electron deficient partially alkylated metal hydrides

DOE PAGES

Maity, Niladri; Barman, Samir; Callens, Emmanuel; ...

2015-11-30

The well-defined single-site silica-supported tungsten complex [(Si–O–)W(Me) 5], 1, is an excellent precatalyst for alkane metathesis. The unique structure of 1 allows the synthesis of unprecedented tungsten hydrido methyl surface complexes via a controlled hydrogenolysis. Specifically, in the presence of molecular hydrogen, 1 is quickly transformed at -78 °C into a partially alkylated tungsten hydride, 4, as characterized by 1H solid-state NMR and IR spectroscopies. Species 4, upon warming to 150 °C, displays the highest catalytic activity for propane metathesis yet reported. DFT calculations using model systems support the formation of [(Si–O–)WH 3(Me) 2], as the predominant species at -78more » °C following several elementary steps of hydrogen addition (by σ-bond metathesis or α-hydrogen transfer). Rearrangement of 4 occuring between -78 °C and room temperature leads to the formation of an unique methylidene tungsten hydride [(Si–O–)WH 3(CH 2)], as determined by solid-state 1H and 13C NMR spectroscopies and supported by DFT. Thus for the first time, a coordination sphere that incorporates both carbene and hydride functionalities has been observed.« less

Phosphorus atomic layer doping in Ge using RPCVD

NASA Astrophysics Data System (ADS)

Yamamoto, Yuji; Kurps, Rainer; Mai, Christian; Costina, Ioan; Murota, Junichi; Tillack, Bernd

2013-05-01

Phosphorus atomic layer doping (P-ALD) in Ge is investigated at temperatures between 100 °C and 400 °C using a single wafer reduced pressure chemical vapor deposition (RPCVD) system. Hydrogen-terminated and hydrogen-free Ge (1 0 0) surfaces are exposed to PH3 at different PH3 partial pressures after interrupting Ge growth. The adsorption and reaction of PH3 proceed on a hydrogen-free Ge surface. For all temperatures and PH3 partial pressures used for the P-ALD, the P dose increased with increasing PH3 exposure time and saturated. The saturation value of the incorporated P dose at 300 °C is ˜1.5 × 1014 cm-3, which is close to a quarter of a monolayer of the Ge (1 0 0) surface. The P dose could be simulated assuming a Langmuir-type kinetics model with a saturation value of Nt = 1.55 × 1014 cm-2 (a quarter of a monolayer), reaction rate constant kr = 77 s-1 and thermal equilibrium constant K = 3.0 × 10-2 Pa-1. An electrically active P concentration of 5-6 × 1019 cm-3, which is a 5-6 times higher thermal solubility of P in Ge, is obtained by multiple P spike fabrication using the P-ALD process.

Nitrogen-doped fullerene as a potential catalyst for hydrogen fuel cells.

PubMed

Gao, Feng; Zhao, Guang-Lin; Yang, Shizhong; Spivey, James J

2013-03-06

We examine the possibility of nitrogen-doped C60 fullerene (N-C60) as a cathode catalyst for hydrogen fuel cells. We use first-principles spin-polarized density functional theory calculations to simulate the electrocatalytic reactions on N-C60. The first-principles results show that an O2 molecule can be adsorbed and partially reduced on the N-C complex sites (Pauling sites) of N-C60 without any activation barrier. Through a direct pathway, the partially reduced O2 can further react with H(+) and additional electrons and complete the water formation reaction (WFR) with no activation energy barrier. In the indirect pathway, reduced O2 reacts with H(+) and additional electrons to form H2O molecules through a transition state (TS) with a small activation barrier (0.22-0.37 eV). From an intermediate state to a TS, H(+) can obtain a kinetic energy of ∼0.95-3.68 eV, due to the Coulomb electric interaction, and easily overcome the activation energy barrier during the WFR. The full catalytic reaction cycles can be completed energetically, and N-C60 fullerene recovers to its original structure for the next catalytic reaction cycle. N-C60 fullerene is a potential cathode catalyst for hydrogen fuel cells.

Nucleon spin-averaged forward virtual Compton tensor at large Q 2

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

Hill, Richard J.; Paz, Gil

The nucleon spin-averaged forward virtual Compton tensor determines important physical quantities such as electromagnetically-induced mass differences of nucleons, and two-photon exchange contributions in hydrogen spectroscopy. It depends on two kinematic variables:more » $$\

OH+ and H2O+: Probes of the Molecular Hydrogen Fraction and Cosmic-Ray Ionization Rate

NASA Astrophysics Data System (ADS)

Indriolo, Nick; Neufeld, D. A.; Gerin, M.; PRISMAS; WISH

2014-01-01

The fast ion-molecule chemistry that occurs in the interstellar medium (ISM) is initiated by cosmic-ray ionization of both atomic and molecular hydrogen. Species that are near the beginning of the network of interstellar chemistry such as the oxygen-bearing ions OH+ and H2O+ can be useful probes of the cosmic-ray ionization rate. This parameter is of particular interest as, to some extent, it controls the abundances of several molecules. Using observations of OH+ and H2O+ made with HIFI on board Herschel, we have inferred the cosmic-ray ionization rate of atomic hydrogen in multiple distinct clouds along 12 Galactic sight lines. These two molecules also allow us to determine the molecular hydrogen fraction (amount of hydrogen nuclei in H2 versus H) as OH+ and H2O+ abundances are dependent on the competition between dissociative recombination with electrons and hydrogen abstraction reactions involving H2. Our observations of OH+ and H2O+ indicate environments where H2 accounts for less than 10% of the available hydrogen nuclei, suggesting that these species primarily reside in the diffuse, atomic ISM. Average ionization rates in this gas are on the order of a few times 10-16 s-1, with most values in specific clouds above or below this average by a factor of 3 or so. This result is in good agreement with the most up-to-date determination of the distribution of cosmic-ray ionization rates in diffuse molecular clouds as inferred from observations of H3+.

Grinding as an approach to the production of high-strength, dispersion-strengthened nickel-base alloys

NASA Technical Reports Server (NTRS)

Orth, N. W.; Quatinetz, M.; Weeton, J. W.

1970-01-01

Mechanical process produces dispersion-strengthened metal alloys. Power surface contamination during milling is removed by a cleaning method that involves heating thin shapes or partially-compacted milled powder blends in hydrogen to carefully controlled temperature schedules.

HOMOGENEOUS CATALYSTS FOR THE PARTIAL-OXYGENATION OF SATURATED HYDROCARBONS WITH HYDROGEN PERIOXIDE

EPA Science Inventory

A Methodology for the Evaluation of Process Sustainability
Michael Gonzalez*, Raymond Smith and Thomas Becker

United States Environmental Protection Agency; Office of Research and Development; Sustainable Technologies Division; 26 West Martin Luther King Drive; Cincinna...

Response of MDOF strongly nonlinear systems to fractional Gaussian noises.

PubMed

Deng, Mao-Lin; Zhu, Wei-Qiu

2016-08-01

In the present paper, multi-degree-of-freedom strongly nonlinear systems are modeled as quasi-Hamiltonian systems and the stochastic averaging method for quasi-Hamiltonian systems (including quasi-non-integrable, completely integrable and non-resonant, completely integrable and resonant, partially integrable and non-resonant, and partially integrable and resonant Hamiltonian systems) driven by fractional Gaussian noise is introduced. The averaged fractional stochastic differential equations (SDEs) are derived. The simulation results for some examples show that the averaged SDEs can be used to predict the response of the original systems and the simulation time for the averaged SDEs is less than that for the original systems.

Response of MDOF strongly nonlinear systems to fractional Gaussian noises

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

Deng, Mao-Lin; Zhu, Wei-Qiu, E-mail: wqzhu@zju.edu.cn

2016-08-15

In the present paper, multi-degree-of-freedom strongly nonlinear systems are modeled as quasi-Hamiltonian systems and the stochastic averaging method for quasi-Hamiltonian systems (including quasi-non-integrable, completely integrable and non-resonant, completely integrable and resonant, partially integrable and non-resonant, and partially integrable and resonant Hamiltonian systems) driven by fractional Gaussian noise is introduced. The averaged fractional stochastic differential equations (SDEs) are derived. The simulation results for some examples show that the averaged SDEs can be used to predict the response of the original systems and the simulation time for the averaged SDEs is less than that for the original systems.

Kubo–Greenwood approach to conductivity in dense plasmas with average atom models

DOE PAGES

Starrett, C. E.

2016-04-13

In this study, a new formulation of the Kubo–Greenwood conductivity for average atom models is given. The new formulation improves upon previous treatments by explicitly including the ionic-structure factor. Calculations based on this new expression lead to much improved agreement with ab initio results for DC conductivity of warm dense hydrogen and beryllium, and for thermal conductivity of hydrogen. We also give and test a slightly modified Ziman–Evans formula for the resistivity that includes a non-free electron density of states, thus removing an ambiguity in the original Ziman–Evans formula. Again, results based on this expression are in good agreement withmore » ab initio simulations for warm dense beryllium and hydrogen. However, for both these expressions, calculations of the electrical conductivity of warm dense aluminum lead to poor agreement at low temperatures compared to ab initio simulations.« less

Capacity of MIMO free space optical communications using multiple partially coherent beams propagation through non-Kolmogorov strong turbulence.

PubMed

Deng, Peng; Kavehrad, Mohsen; Liu, Zhiwen; Zhou, Zhou; Yuan, Xiuhua

2013-07-01

We study the average capacity performance for multiple-input multiple-output (MIMO) free-space optical (FSO) communication systems using multiple partially coherent beams propagating through non-Kolmogorov strong turbulence, assuming equal gain combining diversity configuration and the sum of multiple gamma-gamma random variables for multiple independent partially coherent beams. The closed-form expressions of scintillation and average capacity are derived and then used to analyze the dependence on the number of independent diversity branches, power law α, refractive-index structure parameter, propagation distance and spatial coherence length of source beams. Obtained results show that, the average capacity increases more significantly with the increase in the rank of MIMO channel matrix compared with the diversity order. The effect of the diversity order on the average capacity is independent of the power law, turbulence strength parameter and spatial coherence length, whereas these effects on average capacity are gradually mitigated as the diversity order increases. The average capacity increases and saturates with the decreasing spatial coherence length, at rates depending on the diversity order, power law and turbulence strength. There exist optimal values of the spatial coherence length and diversity configuration for maximizing the average capacity of MIMO FSO links over a variety of atmospheric turbulence conditions.

Mechanical properties of several nickel alloys in hydrogen at elevated temperatures

NASA Technical Reports Server (NTRS)

Warren, J. R.; Harris, J. A., Jr.; Vanwanderham, M. C.

1977-01-01

Tests were performed to determine low cycle fatigue and crack growth rate properties of one iron-base and two forms of one cast nickel-base alloy. The alloys were tested in various forms and/or heat-treat conditions that are proposed for use in a high-pressure hydrogen or a hydrogen-water vapor environment. Some general conclusions can be made comparing the results of tests in a hydrogen environment with those in a hydrogen-water vapor environment. The hydrogen-water vapor environment caused a 50 percent average reduction in fatigue life, indicating extreme degradation when compared with tests conducted in air, for Incoloy 903 at 1033 K (1400 F). Crack growth rates increased significantly for all materials with increasing test temperature. A very significant increase (three orders of magnitude) in crack growth rate occurred for Incoloy 903 tested in the hydrogen-water vapor environment when compared with testing done in hydrogen along at 922 K (1200 F).

Fatty acids in some common food items in Canada.

PubMed

Ratnayake, W M; Hollywood, R; O'Grady, E; Pelletier, G

1993-12-01

Fat content and fatty acid (FA) composition of 100 common items in 17 food categories from the Canadian retail market were determined. Of these, 52 samples were made from partially hydrogenated fat. Their fat (in parentheses) and trans FA levels were as follows: breads (3.7% fat) 15.7%, hamburger buns (5.5% fat) 26.3%, cakes (8.7-36.7% fat) 10.1-25.7%, candies/chocolates (27.1% fat) 11.1%, cereals (1.3-12.9% fat) 9.2-33.7%, cookies (5.0-40.5% fat) 7.6-38.7%, crackers (9.2-33.0% fat) 13.8-35.4%, donuts (16.6-29.6% fat) 27.7-32.7%, french fries (pre-cooked) (4.3-4.5% fat) 32.8-42.8%, muffins (12.5-23.7% fat) 16.5-24.2%, pizza crusts (6.0-7.2% fat) 22.1-28.8%, shortenings (100% fat) 17.4-20.2%, potato chips (33.2-40.0% fat) 29.7-39.7%, and corn chips (25.0-34.2%) 29.9-33.9%. Generally the sum of saturated and trans FA in the food items made with partially hydrogenated fat was higher than that of the corresponding food items made with unhydrogenated oils. The higher levels of saturates plus trans were at the expense of the essential fatty acids (EFA). The high-fat foods, such as cakes, cookies, crackers, donuts and potato chips, made with partially hydrogenated fat, were substantially lower in EFA and contained relatively higher levels of trans polyunsaturated fatty acids (PUFA). In some samples of potato chips and french fries, the level of trans PUFA was almost the same or more than the sum of linoleic and linolenic acids.

A kinetic model for the synthesis of high-molecular-weight alcohols over a sulfided Co-K-Mo/C catalyst

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

Gunturu, A.K.; Kugler, E.L.; Cropley, J.B.

A statistically designed set of experiments was run in a recycle reactor to evaluate the kinetics of the formation of higher-molecular-weight alcohols (higher alcohols) and total hydrocarbon byproducts from synthesis gas (hydrogen and carbon monoxide) in a range of experimental conditions that mirrors the limits of commercial production. The alkali-promoted, C-supported Co-Mo sulfide catalyst that was employed in this study is well known for its sulfur resistance. The reaction was carried out in a gradientless Berty-type recycle reactor. A two-level fractional-factorial set consisting of 16 experiments was performed. Five independent variables were selected for this study, namely, temperature, partial pressuremore » of carbon monoxide, partial pressure of hydrogen, partial pressure of inerts, and methanol concentration in the feed. The major oxygenated products were linear alcohols up to n-butanol, but alcohols of higher carbon number were also detected, and analysis of the liquid product revealed the presence of trace amounts of ethers also. Yields of hydrocarbons were non-negligible. The alcohol product followed an Anderson-Schultz-Flory distribution. From the results of the factorial experiments, a preliminary power-law model was developed, and the statistically significant variables in the rate expression for the production of each alcohol were found. Based on the results of the power-law models, rate expressions of the Langmuir-Hinshelwood type were fitted. The observed kinetics are consistent with the rate-limiting step for the production of each higher alcohol being a surface reaction of the alcohol of next-lower carbon number. All other steps, including CO-insertion, H{sub 2}-cleavage, and hydrogenation steps, do not appear to affect the rate correlations.« less

Ab initio simulation of particle momentum distributions in high-pressure water

NASA Astrophysics Data System (ADS)

Ceriotti, M.

2014-12-01

Applying pressure to water reduces the average oxygen-oxygen distance, and facilitates the delocalisation of protons along the hydrogen bond. This pressure-induced delocalisation is further enhanced by the quantum nature of hydrogen nuclei, which is very significant even well above room temperature. Here we will evaluate the quantum kinetic energy and the particle momentum distribution of hydrogen and oxygen nuclei in water at extreme pressure, using ab initio path integral molecular dynamics. We will show that (transient) dissociation of water molecules induce measurable changes in the kinetic energy hydrogen atoms, although current deep inelastic scattering experiments are probably unable to capture the heterogeneity of the sample.

ION EXCHANGE SUBSTANCES BY SAPONIFICATION OF ALLYL PHOSPHATE POLYMERS

DOEpatents

Kennedy, J.

1959-04-14

An ion exchange resin having a relatively high adsorption capacity tor uranyl ion as compared with many common cations is reported. The resin comprises an alphyl-allyl hydrogen phosphate polymer, the alphyl group being either allyl or a lower alkyl group having up to 5 carbon atoins. The resin is prepared by polymerizing compounds such as alkyl-diallyl phosphate and triallyl phosphate in the presence of a free radical generating substance and then partially hydrolyzing the resulting polymer to cause partial replacement of organic radicals by cations. A preferred free radical gencrating agent is dibenzoyl peroxide. The partial hydrolysis is brought about by refluxing the polymer with concentrated aqueous NaOH for three or four hours.

Adsorption of hydrogen gas and redox processes in clays.

PubMed

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

2012-03-20

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

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.

Graphene Derivative in Magnetically Recoverable Catalyst Determines Catalytic Properties in Transfer Hydrogenation of Nitroarenes to Anilines with 2-Propanol.

PubMed

Das, Vijay Kumar; Mazhar, Sumaira; Gregor, Lennon; Stein, Barry D; Morgan, David Gene; Maciulis, Nicholas A; Pink, Maren; Losovyj, Yaroslav; Bronstein, Lyudmila M

2018-06-14

Here, we report transfer hydrogenation of nitroarenes to aminoarenes using 2-propanol as a hydrogen source and Ag-containing magnetically recoverable catalysts based on partially reduced graphene oxide (pRGO) sheets. X-ray diffraction and X-ray photoelectron spectroscopy data demonstrated that, during the one-pot catalyst synthesis, formation of magnetite nanoparticles (NPs) is accompanied by the reduction of graphene oxide (GO) to pRGO. The formation of Ag 0 NPs on top of magnetite nanoparticles does not change the pRGO structure. At the same time, the catalyst structure is further modified during the transfer hydrogenation, leading to a noticeable increase of sp 2 carbons. These carbons are responsible for the adsorption of substrate and intermediates, facilitating a hydrogen transfer from Ag NPs and creating synergy between the components of the catalyst. The nitroarenes with electron withdrawing and electron donating substituents allow for excellent yields of aniline derivatives with high regio and chemoselectivity, indicating that the reaction is not disfavored by these functionalities. The versatility of the catalyst synthetic protocol was demonstrated by a synthesis of an Ru-containing graphene derivative based catalyst, also allowing for efficient transfer hydrogenation. Easy magnetic separation and stable catalyst performance in the transfer hydrogenation make this catalyst promising for future applications.

Capacity retention in hydrogen storage alloys

NASA Technical Reports Server (NTRS)

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

1992-01-01

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

Probing skin interaction with hydrogen peroxide using diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Zonios, George; Dimou, Aikaterini; Galaris, Dimitrios

2008-01-01

Hydrogen peroxide is an important oxidizing agent in biological systems. In dermatology, it is frequently used as topical antiseptic, it has a haemostatic function, it can cause skin blanching, and it can facilitate skin tanning. In this work, we investigated skin interaction with hydrogen peroxide, non-invasively, using diffuse reflectance spectroscopy. We observed transient changes in the oxyhaemoglobin and deoxyhaemoglobin concentrations as a result of topical application of dilute H2O2 solutions to the skin, with changes in deoxyhaemoglobin concentration being more pronounced. Furthermore, we did not observe any appreciable changes in melanin absorption properties as well as in the skin scattering properties. We also found no evidence for production of oxidized haemoglobin forms. Our observations are consistent with an at least partial decomposition of hydrogen peroxide within the stratum corneum and epidermis, with the resulting oxygen and/or remaining hydrogen peroxide inducing vasoconstriction to dermal blood vessels and increasing haemoglobin oxygen saturation. An assessment of the effects of topical application of hydrogen peroxide to the skin may serve as the basis for the development of non-invasive techniques to measure skin antioxidant capacity and also may shed light onto skin related disorders such as vitiligo.

The modified extended Hansen method to determine partial solubility parameters of drugs containing a single hydrogen bonding group and their sodium derivatives: benzoic acid/Na and ibuprofen/Na.

PubMed

Bustamante, P; Pena, M A; Barra, J

2000-01-20

Sodium salts are often used in drug formulation but their partial solubility parameters are not available. Sodium alters the physical properties of the drug and the knowledge of these parameters would help to predict adhesion properties that cannot be estimated using the solubility parameters of the parent acid. This work tests the applicability of the modified extended Hansen method to determine partial solubility parameters of sodium salts of acidic drugs containing a single hydrogen bonding group (ibuprofen, sodium ibuprofen, benzoic acid and sodium benzoate). The method uses a regression analysis of the logarithm of the experimental mole fraction solubility of the drug against the partial solubility parameters of the solvents, using models with three and four parameters. The solubility of the drugs was determined in a set of solvents representative of several chemical classes, ranging from low to high solubility parameter values. The best results were obtained with the four parameter model for the acidic drugs and with the three parameter model for the sodium derivatives. The four parameter model includes both a Lewis-acid and a Lewis-base term. Since the Lewis acid properties of the sodium derivatives are blocked by sodium, the three parameter model is recommended for these kind of compounds. Comparison of the parameters obtained shows that sodium greatly changes the polar parameters whereas the dispersion parameter is not much affected. Consequently the total solubility parameters of the salts are larger than for the parent acids in good agreement with the larger hydrophilicity expected from the introduction of sodium. The results indicate that the modified extended Hansen method can be applied to determine the partial solubility parameters of acidic drugs and their sodium salts.

Experimental investigations of the hydrogen addition effects on diesel engine performance

NASA Astrophysics Data System (ADS)

Mirica, I.; Pana, C.; Negurescu, N.; Cernat, A.; Nutu, C.

2016-08-01

In the global content regarding the impact on the environmental of the gases emissions resulted from the fossil fuels combustion, an interest aspect discussed on the 21st Session of the Conference of the Parties from the 2015 Paris Climate Conference and the gradual diminution of the worldwide oil reserves contribute to the necessity of searching of alternative energy from durable and renewable resources. At the use of hydrogen as addition in air to diesel engine, the level of CO, HC and smoke from the exhaust gases will decrease due to the improvement of the combustion process. At low and medium partial loads and low hydrogen energetic ratios used the NOX emission level can decrease comparative to classic diesel engine. The hydrogen use as fuel for diesel engine leads to the improving of the energetic and emissions performance of the engine due to combustion improvement and reduction of carbon content. The paper presents, in a comparative way, results of the experimental researches carried on a truck compression ignition engine fuelled with diesel fuel and with hydrogen diesel fuel and hydrogen as addition in air at different engine operation regimes. The results obtained during experimental investigations show better energetic and pollution performance of the engine fuelled with hydrogen as addition in air comparative to classic engine. The influences of hydrogen addition on engine operation are shown.

Re-fermentation of washed spent solids from batch hydrogenogenic fermentation for additional production of biohydrogen from the organic fraction of municipal solid waste.

PubMed

Muñoz-Páez, Karla M; Ríos-Leal, Elvira; Valdez-Vazquez, Idania; Rinderknecht-Seijas, Noemí; Poggi-Varaldo, Héctor M

2012-03-01

In the first batch solid substrate anaerobic hydrogenogenic fermentation with intermittent venting (SSAHF-IV) of the organic fraction of municipal solid waste (OFMSW), a cumulative production of 16.6 mmol H(2)/reactor was obtained. Releases of hydrogen partial pressure first by intermittent venting and afterward by flushing headspace of reactors with inert gas N(2) allowed for further hydrogen production in a second to fourth incubation cycle, with no new inoculum nor substrate nor inhibitor added. After the fourth cycle, no more H(2) could be harvested. Interestingly, accumulated hydrogen in 4 cycles was 100% higher than that produced in the first cycle alone. At the end of incubation, partial pressure of H(2) was near zero whereas high concentrations of organic acids and solvents remained in the spent solids. So, since approximate mass balances indicated that there was still a moderate amount of biodegradable matter in the spent solids we hypothesized that the organic metabolites imposed some kind of inhibition on further fermentation of digestates. Spent solids were washed to eliminate organic metabolites and they were used in a second SSAHF-IV. Two more cycles of H(2) production were obtained, with a cumulative production of ca. 2.4 mmol H(2)/mini-reactor. As a conclusion, washing of spent solids of a previous SSAHF-IV allowed for an increase of hydrogen production by 15% in a second run of SSAHF-IV, leading to the validation of our hypothesis. Copyright © 2011 Elsevier Ltd. All rights reserved.

Feasibility of recommending certain replacement or alternative fats.

PubMed

Skeaff, C M

2009-05-01

Expert groups and public health authorities recommend that trans-fatty acid (TFA) intakes from industrially produced partially hydrogenated vegetable oils (PHVOs) should be less than 1% of total energy intake. The starting point for any regulatory or nonregulatory response to this recommendation is to assess the extent of the problem by determining where in the food supply TFAs are found and the amounts consumed in the population. Unfortunately, this is a particularly difficult task using traditional methods of dietary assessment inasmuch as food composition databases with TFA data are either nonexistent or incomplete in most countries. Current evidence on estimates of intake suggests there is high variability in TFA intakes and their food sources between countries. The ubiquitous presence of PHVOs in the global food supply in bakery products, deep-fried foods, snack foods, confectionery products and table spreads attests to their commercial value and convenience. However, their common use is more the result of historical convenience from an industry infrastructure developed over 50 years based on efficient, cost-effective hydrogenation of vegetable oils rather than any inherent sensory or physical superiority of the hydrogenated fats over purpose-made zero-trans fats and oils. Current global supply of appropriate zero-trans replacement fats high in cis-unsaturated fatty acids is insufficient to meet the demand if all PHVOs in the food supply were replaced. Regulatory action needs to be coordinated with supply to maximize the opportunity for health gains by replacing partially hydrogenated fats with purpose-ready zero-trans vegetable oils low in saturates and high in cis-unsaturates rather than animal fats and tropical oils high in saturated fatty acids.

Neutron Crystallography, Molecular Dynamics, and Quantum Mechanics Studies of the Nature of Hydrogen Bonding in Cellulose I beta

USDA-ARS?s Scientific Manuscript database

In the crystal structure of cellulose Ibeta, disordered hydrogen (H) bonding can be represented by the average of two mutually exclusive H bonding schemes that have been designated A and B. An unanswered question is whether A and B interconvert dynamically, or whether they are static but present in ...

Fat composition of vegetable oil spreads and margarines in the USA in 2013: a national marketplace analysis

PubMed Central

Garsetti, Marcella; Balentine, Douglas A.; Zock, Peter L.; Blom, Wendy A.M.; Wanders, Anne J.

2016-01-01

Abstract Worldwide, the fat composition of spreads and margarines (“spreads”) has significantly changed over the past decades. Data on fat composition of US spreads are limited and outdated. This paper compares the fat composition of spreads sold in 2013 to that sold in 2002 in the USA. The fat composition of 37 spreads representing >80% of the US market sales volume was determined by standard analytical methods. Sales volume weighted averages were calculated. In 2013, a 14 g serving of spread contained on average 7.1 g fat and 0.2 g trans-fatty acids and provided 22% and 15% of the daily amounts recommended for male adults in North America of omega-3 α-linolenic acid and omega-6 linoleic acid, respectively. Our analysis of the ingredient list on the food label showed that 86% of spreads did not contain partially hydrogenated vegetable oils (PHVO) in 2013. From 2002 to 2013, based on a 14 g serving, total fat and trans-fatty acid content of spreads decreased on average by 2.2 g and 1.5 g, respectively. In the same period, the overall fat composition improved as reflected by a decrease of solid fat (from 39% to 30% of total-fatty acids), and an increase of unsaturated fat (from 61% to 70% of total-fatty acids). The majority of US spreads no longer contains PHVO and can contribute to meeting dietary recommendations by providing unsaturated fat. PMID:27046021

Partially ionized hydrogen plasma in strong magnetic fields.

PubMed

Potekhin, A Y; Chabrier, G; Shibanov, Y A

1999-08-01

We study the thermodynamic properties of a partially ionized hydrogen plasma in strong magnetic fields, B approximately 10(12)-10(13) G, typical of neutron stars. The properties of the plasma depend significantly on the quantum-mechanical sizes and binding energies of the atoms, which are strongly modified by thermal motion across the field. We use new fitting formulas for the atomic binding energies and sizes, based on accurate numerical calculations and valid for any state of motion of the atom. In particular, we take into account decentered atomic states, neglected in previous studies of thermodynamics of magnetized plasmas. We also employ analytic fits for the thermodynamic functions of nonideal fully ionized electron-ion Coulomb plasmas. This enables us to construct an analytic model of the free energy. An ionization equilibrium equation is derived, taking into account the strong magnetic field effects and the nonideality effects. This equation is solved by an iteration technique. Ionization degrees, occupancies, and the equation of state are calculated.

Healable Antifouling Films Composed of Partially Hydrolyzed Poly(2-ethyl-2-oxazoline) and Poly(acrylic acid).

PubMed

Li, Yixuan; Pan, Tiezheng; Ma, Benhua; Liu, Junqiu; Sun, Junqi

2017-04-26

Antifouling polymeric films can prevent undesirable adhesion of bacteria but are prone to accidental scratches, leading to a loss of their antifouling functions. To solve this problem, we report the fabrication of healable antifouling polymeric films by layer-by-layer assembly of partially hydrolyzed poly(2-ethyl-2-oxazoline) (PEtOx-EI-7%) and poly(acrylic acid) (PAA) based on hydrogen-bonding interaction as the driving force. The thermally cross-linked (PAA/PEtOx-EI-7%)*100 films show strong resistance to adhesion of both Gram-negative Escherichia coli and Gram-positive Bacillus subtilis bacteria due to the high surface and bulk concentration of the antifouling polymer PEtOx-EI-7%. Meanwhile, the dynamic nature of the hydrogen-bonding interactions and the high mobility of the polymers in the presence of water enable repeated healing of cuts of several tens of micrometers wide in cross-linked (PAA/PEtOx-EI-7%)*100 films to fully restore their antifouling function.

Low oxygen levels contribute to improve photohydrogen production in mixotrophic non-stressed Chlamydomonas cultures.

PubMed

Jurado-Oller, Jose Luis; Dubini, Alexandra; Galván, Aurora; Fernández, Emilio; González-Ballester, David

2015-01-01

Currently, hydrogen fuel is derived mainly from fossil fuels, but there is an increasing interest in clean and sustainable technologies for hydrogen production. In this context, the ability of some photosynthetic microorganisms, particularly cyanobacteria and microalgae, to produce hydrogen is a promising alternative for renewable, clean-energy production. Among a diverse array of photosynthetic microorganisms able to produce hydrogen, the green algae Chlamydomonas reinhardtii is the model organism widely used to study hydrogen production. Despite the well-known fact that acetate-containing medium enhances hydrogen production in this algae, little is known about the precise role of acetate during this process. We have examined several physiological aspects related to acetate assimilation in the context of hydrogen production metabolism. Measurements of oxygen and CO2 levels, acetate uptake, and cell growth were performed under different light conditions, and oxygenic regimes. We show that oxygen and light intensity levels control acetate assimilation and modulate hydrogen production. We also demonstrate that the determination of the contribution of the PSII-dependent hydrogen production pathway in mixotrophic cultures, using the photosynthetic inhibitor DCMU, can lead to dissimilar results when used under various oxygenic regimes. The level of inhibition of DCMU in hydrogen production under low light seems to be linked to the acetate uptake rates. Moreover, we highlight the importance of releasing the hydrogen partial pressure to avoid an inherent inhibitory factor on the hydrogen production. Low levels of oxygen allow for low acetate uptake rates, and paradoxically, lead to efficient and sustained production of hydrogen. Our data suggest that acetate plays an important role in the hydrogen production process, during non-stressed conditions, other than establishing anaerobiosis, and independent of starch accumulation. Potential metabolic pathways involved in hydrogen production in mixotrophic cultures are discussed. Mixotrophic nutrient-replete cultures under low light are shown to be an alternative for the simultaneous production of hydrogen and biomass.

Variation of molecular hydrogen tropospheric concentration over Southern Poland - results of the continuous chromatographic measurements.

NASA Astrophysics Data System (ADS)

Necki, J.; Chmura, L.

2012-04-01

Although hydrogen is one of the fundamental constituents of the earth's atmosphere its global balance is still poorly clarified. A few developed inventories diverging values for efficiency of sources and sinks of this gas. The European network for the hydrogen concentrations measurement is based on several unevenly spaced measurement points. While in 2009 MPI Jena has delivered accurate scale for hydrogen measurements and the techniques of analyses are well described, still large areas of Central Europe is uncovered by representative stations. The first measurement point, established under the EUROHYDROS EU program, on the territory of Poland was Kraków city. Different laboratory setups was tested there and compared to each other. The Kraków area has significant car traffic and its geographical location implies frequent temperature inversions in lower troposphere leading to the accumulation of trace gases in atmosphere of the city. Observations launched in 2007 revealed that the concentration of hydrogen fluctuates strongly within diurnal and seasonal timescales. Its average concentration is three times larger than this, observed at the other stations. The European "background" concentrations of hydrogen are not reflected in the Krakow record. An ideal place to carry out observation of the regional air composition for Central Europe is a research station located in the meteorological observatory at Kasprowy Wierch. Measurement point at the top of mountain peak with elevation of 2000m a.s.l. gives an access to the well mixed troposphere. The station delivers also the necessary facilities and logistics. Since year 1996 greenhouse gas measurement program has been operating at this point. The first measurements of atmospheric concentrations of hydrogen at Kasprowy Wierch were performed in year 2010, based on dedicated gas chromatograph using RGD detector installed at the station. Analysis of hydrogen content in the outside air is performed without any enrichment process with precision better than 1ppb. But a temporary problems with UV lamp power supply module considerably hampers the research and adversely affect the reproducibility of the analysis. The results should be treated as a preliminary diagnosis of the diurnal and seasonal variation of the hydrogen concentration at the mountain site. The average short term variation of hydrogen concentrations does not exceed 50ppb and reveals the periodic nature except special situations when the concentration abruptly rises up by 150ppb and returns to an average of 480-520ppb. It is possible to observe the variations with larger time constant probably related with mezzo-scale circulation in atmosphere and slight seasonality in the level of hydrogen observed in autumn and in winter (with amplitude of 50ppb). Measurements carried out at Kasprowy Wierch were also used to balance the hydrogen for the city of Kraków. The work was partly financed from Polish national grant N N305 400939.

Symmetrical solid oxide fuel cells with impregnated SrFe0.75Mo0.25O3-δ electrodes

NASA Astrophysics Data System (ADS)

Meng, Xie; Liu, Xuejiao; Han, Da; Wu, Hao; Li, Junliang; Zhan, Zhongliang

2014-04-01

Here we report nominally symmetrical solid oxide fuel cells that feature thin La0.9Sr0.1Ga0.8Mg0.2O3-δ (LSGM) electrolytes and impregnated SrFe0.75Mo0.25O3-δ (SFMO)-LSGM composite electrodes. Operation on hydrogen fuels and air oxidants can produce maximum power densities of 0.39 W cm-2 at 650 °C and 0.97 W cm-2 at 800 °C. Impedance measurements indicate that the anode and the cathode polarizations are 0.22 and 0.04 Ω cm2 at 800 °C, respectively. Hydrogen partial pressure and temperature dependence of impedance data in humidified hydrogen shows that hydrogen oxidation kinetics is largely determined by hydrogen adsorption on the SFMO catalysts at high temperatures and charge transfer reactions along the SFMO|LSGM interfaces at low temperatures. Carbon tolerance of the present fuel cells is also examined in iso-octane fuels balanced by nitrogen at 800 °C that yields stable maximum power densities of 0.39 W cm-2.

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.

Prereduction of Metal Oxides via Carbon Plasma Treatment for Efficient and Stable Electrocatalytic Hydrogen Evolution.

PubMed

Zhang, Yongqi; Ouyang, Bo; Xu, Kun; Xia, Xinhui; Zhang, Zheng; Rawat, Rajdeep Singh; Fan, Hong Jin

2018-04-01

Prereduction of transition metal oxides is a feasible and efficient strategy to enhance their catalytic activity for hydrogen evolution. Unfortunately, the prereduction via the common H 2 annealing method is unstable for nanomaterials during the hydrogen evolution process. Here, using NiMoO 4 nanowire arrays as the example, it is demonstrated that carbon plasma (C-plasma) treatment can greatly enhance both the catalytic activity and the long-term stability of transition metal oxides for hydrogen evolution. The C-plasma treatment has two functions at the same time: it induces partial surface reduction of the NiMoO 4 nanowire to form Ni 4 Mo nanoclusters, and simultaneously deposits a thin graphitic carbon shell. As a result, the C-plasma treated NiMoO 4 can maintain its array morphology, chemical composition, and catalytic activity during long-term intermittent hydrogen evolution process. This work may pave a new way for simultaneous activation and stabilization of transition metal oxide-based electrocatalysts. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A first-principles study of hydrogen storage capacity based on Li-Na-decorated silicene.

PubMed

Sheng, Zhe; Wu, Shujing; Dai, Xianying; Zhao, Tianlong; Hao, Yue

2018-05-23

Surface decoration with alkali metal adatoms has been predicted to be promising for silicene to obtain high hydrogen storage capacity. Herein, we performed a detailed study of the hydrogen storage properties of Li and Na co-decorated silicene (Li-Na-decorated silicene) based on first-principles calculations using van der Waals correction. The hydrogen adsorption behaviors, including the adsorption order, the maximum capacity, and the corresponding mechanism were analyzed in detail. Our calculations show that up to three hydrogen molecules can firmly bind to each Li atom and six for each Na atom, respectively. The hydrogen storage capacity is estimated to be as high as 6.65 wt% with a desirable average adsorption energy of 0.29 eV/H2. It is confirmed that both the charge-induced electrostatic interaction and the orbital hybridizations play a great role in hydrogen storage. Our results may enhance our fundamental understanding of the hydrogen storage mechanism, which is of great importance for the practical application of Li-Na-decorated silicene in hydrogen storage.

Use of coffee mucilage as a new substrate for hydrogen production in anaerobic co-digestion with swine manure.

PubMed

Hernández, Mario Andrés; Rodríguez Susa, Manuel; Andres, Yves

2014-09-01

Coffee mucilage (CM), a novel substrate produced as waste from agricultural activity in Colombia, the largest fourth coffee producer in the world, was used for hydrogen production. The study evaluated three ratios (C1-3) for co-digestion of CM and swine manure (SM), and an increase in organic load to improve hydrogen production (C4). The hydrogen production was improved by a C/N ratio of 53.4 used in C2 and C4. The average hydrogen production rate in C4 was 7.6 NL H2/LCMd, which indicates a high hydrogen potential compare to substrates such as POME and wheat starch. In this condition, the biogas composition was 0.1%, 50.6% and 39.0% of methane, carbon dioxide and hydrogen, respectively. The butyric and acetic fermentation pathways were the main routes identified during hydrogen production which kept a Bu/Ac ratio at around 1.0. A direct relationship between coffee mucilage, biogas and cumulative hydrogen volume was established. Copyright © 2014 Elsevier Ltd. All rights reserved.

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

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

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

Partial microwave-assisted wet digestion of animal tissue using a baby-bottle sterilizer for analyte determination by inductively coupled plasma optical emission spectrometry

NASA Astrophysics Data System (ADS)

Matos, Wladiana O.; Menezes, Eveline A.; Gonzalez, Mário H.; Costa, Letícia M.; Trevizan, Lilian C.; Nogueira, Ana Rita A.

2009-06-01

A procedure for partial digestion of bovine tissue is proposed using polytetrafluoroethylene (PTFE) micro-vessels inside a baby-bottle sterilizer under microwave radiation for multi-element determination by inductively coupled plasma optical emission spectrometry (ICP OES). Samples were directly weighed in laboratory-made polytetrafluoroethylene vessels. Nitric acid and hydrogen peroxide were added to the uncovered vessels, which were positioned inside the baby-bottle sterilizer, containing 500 mL of water. The hydrogen peroxide volume was fixed at 100 µL. The system was placed in a domestic microwave oven and partial digestion was carried out for the determination of Ca, Cu, Fe, Mg, Mn and Zn by inductively coupled plasma optical emission spectrometry. The single-vessel approach was used in the entire procedure, to minimize contamination in trace analysis. Better recoveries and lower residual carbon content (RCC) levels were obtained under the conditions established through a 2 4-1 fractional factorial design: 650 W microwave power, 7 min digestion time, 50 µL nitric acid and 50 mg sample mass. The digestion efficiency was ascertained according to the residual carbon content determined by inductively coupled plasma optical emission spectrometry. The accuracy of the proposed procedure was checked against two certified reference materials.

Fluid transition layer between rigid solute and liquid solvent: is there depletion or enrichment?

PubMed

Djikaev, Yuri S; Ruckenstein, Eli

2016-03-21

The fluid layer between solute and liquid solvent is studied by combining the density functional theory with the probabilistic hydrogen bond model. This combination allows one to obtain the equilibrium distribution of fluid molecules, taking into account the hydrogen bond contribution to the external potential whereto they are subjected near the solute. One can find the effective width of the fluid solvent-solute transition layer and fluid average density in that layer, and determine their dependence on temperature, solvent-solute affinity, vicinal hydrogen bond (hb) energy alteration ratio, and solute radius. Numerical calculations are performed for the solvation of a plate and spherical solutes of four different radii in two model solvents (associated liquid and non-associated one) in the temperature range from 293 K to 333 K for various solvent-solute affinities and hydrogen bond energy alteration ratios. The predictions of our model for the effective width and average density of the transition layer are consistent with experiments and simulations. The small-to-large crossover lengthscale for hydrophobic hydration is expected to be about 3-5 nm. Remarkably, characterizing the transition layer with the average density, one can observe that for small hydrophobes, the transition layer becomes enriched with rather than depleted of fluid when the solvent-solute affinity and hb-energy alteration ratio become large enough. The boundary values of solvent-solute affinity and hb-energy alteration ratio, needed for the "depletion-to-enrichment" crossover (in the smoothed density sense), are predicted to decrease with increasing temperature.

LES/RANS Simulation of a Supersonic Reacting Wall Jet

NASA Technical Reports Server (NTRS)

Edwards, Jack R.; Boles, John A.; Baurle, Robert A.

2010-01-01

This work presents results from large-eddy / Reynolds-averaged Navier-Stokes (LES/RANS) simulations of the well-known Burrows-Kurkov supersonic reacting wall-jet experiment. Generally good agreement with experimental mole fraction, stagnation temperature, and Pitot pressure profiles is obtained for non-reactive mixing of the hydrogen jet with a non-vitiated air stream. A lifted flame, stabilized between 10 and 22 cm downstream of the hydrogen jet, is formed for hydrogen injected into a vitiated air stream. Flame stabilization occurs closer to the hydrogen injection location when a three-dimensional combustor geometry (with boundary layer development resolved on all walls) is considered. Volumetric expansion of the reactive shear layer is accompanied by the formation of large eddies which interact strongly with the reaction zone. Time averaged predictions of the reaction zone structure show an under-prediction of the peak water concentration and stagnation temperature, relative to experimental data and to results from a Reynolds-averaged Navier-Stokes calculation. If the experimental data can be considered as being accurate, this result indicates that the present LES/RANS method does not correctly capture the cascade of turbulence scales that should be resolvable on the present mesh. Instead, energy is concentrated in the very largest scales, which provide an over-mixing effect that excessively cools and strains the flame. Predictions improve with the use of a low-dissipation version of the baseline piecewise parabolic advection scheme, which captures the formation of smaller-scale structures superimposed on larger structures of the order of the shear-layer width.

Outer satellite atmospheres: Their nature and planetary interactions. [atmospheric models for Amalthea, Ganymede, Callisto, and Titan are presented

NASA Technical Reports Server (NTRS)

Smyth, W. H.

1978-01-01

Results show that Amalthea is likely to form a tightly-bound partial toroidal-shaped hydrogen cloud about its planet, while Ganymede, Callisto and Titan may have rather large, complete and nearly symmetric toroidal-shaped clouds. The toroidal cloud for Amalthea compares favorably with spacecraft data of Pioneer 10 for a satellite escape flux of order 10 to the 11th power atoms/sq cm/sec. Model results for Ganymede, Callisto and Titan suggest that these extended hydrogen atmospheres are likely to be detected by the Voyager spacecrafts and that Titan's cloud might also be detected by the Pioneer 11 spacecraft. Ions created because of atoms lost through ionization processes from these four extended hydrogen atmospheres and from the sodium cloud of Io are discussed.

Propagation of a partially coherent hollow vortex Gaussian beam through a paraxial ABCD optical system in turbulent atmosphere.

PubMed

Zhou, Guoquan; Cai, Yangjian; Chu, Xiuxiang

2012-04-23

The propagation of a partially coherent hollow vortex Gaussian beam through a paraxial ABCD optical system in turbulent atmosphere has been investigated. The analytical expressions for the average intensity and the degree of the polarization of a partially coherent hollow vortex Gaussian beam through a paraxial ABCD optical system are derived in turbulent atmosphere, respectively. The average intensity distribution and the degree of the polarization of a partially coherent hollow vortex Gaussian beam in turbulent atmosphere are numerically demonstrated. The influences of the beam parameters, the topological charge, the transverse coherent lengths, and the structure constant of the atmospheric turbulence on the propagation of a partially coherent hollow vortex Gaussian beam in turbulent atmosphere are also examined in detail. This research is beneficial to the practical applications in free-space optical communications and the remote sensing of the dark hollow beams. © 2012 Optical Society of America

Distribution and motions of atomic hydrogen in lenticular galaxies. X - The blue S0 galaxy NGC 5102

NASA Technical Reports Server (NTRS)

Van Woerden, H.; Van Driel, W.; Braun, R.; Rots, A. H.

1993-01-01

Results of the mapping of the blue gas-rich S0 galaxy NGC 5102 in the 21-cm H I line with a spatial resolution of 34 x 37 arcsec (delta(alpha) x Delta(delta)) and a velocity resolution of 12 km/s are presented. The H I distribution has a pronounced central depression of 1.9 kpc radius, and most of the H I is concentrated in a 3.6 kpc wide ring with an average radius of 3.7 kpc, assuming a distance of 4 Mpc for NGC 5102. The maximum azimuthally averaged H I surface density in the ring is 1.4 solar mass/sq pc, comparable to that found in other S0 galaxies. The HI velocity field is quite regular, showing no evidence for large-scale deviations from circular rotation, and the H I is found to rotate in the plane of the stellar disk. Both the H I mass/blue luminosity ratio and the radial H I distribution are similar to those in early-type spirals. The H I may be an old disk or it may have been acquired through capture of a gas-rich smaller galaxy. The recent starburst in the nuclear region, which gave the galaxy its blue color, may have been caused by partial radial collapse of the gas disk, or by infall of a gas-rich dwarf galaxy.

Methane and Hydrogen Production from Anaerobic Fermentation of Municipal Solid Wastes

NASA Astrophysics Data System (ADS)

Kobayashi, Takuro; Lee, Dong-Yeol; Xu, Kaiqin; Li, Yu-You; Inamori, Yuhei

Methane and hydrogen production was investigated in batch experiments of thermophilic methane and hydrogen fermentation, using domestic garbage and food processing waste classified by fat/carbohydrate balance as a base material. Methane production per unit of VS added was significantly positively correlated with fat content and negatively correlated with carbohydrate content in the substrate, and the average value of the methane production per unit of VS added from fat-rich materials was twice as large as that from carbohydrate-rich materials. By contrast, hydrogen production per unit of VS added was significantly positively correlated with carbohydrate content and negatively correlated with fat content. Principal component analysis using the results obtained in this study enable an evaluation of substrates for methane and hydrogen fermentation based on nutrient composition.

On the cooperativity of association and reference energy scales in thermodynamic perturbation theory

NASA Astrophysics Data System (ADS)

Marshall, Bennett D.

2016-11-01

Equations of state for hydrogen bonding fluids are typically described by two energy scales. A short range highly directional hydrogen bonding energy scale as well as a reference energy scale which accounts for dispersion and orientationally averaged multi-pole attractions. These energy scales are always treated independently. In recent years, extensive first principles quantum mechanics calculations on small water clusters have shown that both hydrogen bond and reference energy scales depend on the number of incident hydrogen bonds of the water molecule. In this work, we propose a new methodology to couple the reference energy scale to the degree of hydrogen bonding in the fluid. We demonstrate the utility of the new approach by showing that it gives improved predictions of water-hydrocarbon mutual solubilities.

Highly hydrogen-sensitive thermal desorption spectroscopy system for quantitative analysis of low hydrogen concentration (˜1 × 1016 atoms/cm3) in thin-film samples

NASA Astrophysics Data System (ADS)

Hanna, Taku; Hiramatsu, Hidenori; Sakaguchi, Isao; Hosono, Hideo

2017-05-01

We developed a highly hydrogen-sensitive thermal desorption spectroscopy (HHS-TDS) system to detect and quantitatively analyze low hydrogen concentrations in thin films. The system was connected to an in situ sample-transfer chamber system, manipulators, and an rf magnetron sputtering thin-film deposition chamber under an ultra-high-vacuum (UHV) atmosphere of ˜10-8 Pa. The following key requirements were proposed in developing the HHS-TDS: (i) a low hydrogen residual partial pressure, (ii) a low hydrogen exhaust velocity, and (iii) minimization of hydrogen thermal desorption except from the bulk region of the thin films. To satisfy these requirements, appropriate materials and components were selected, and the system was constructed to extract the maximum performance from each component. Consequently, ˜2000 times higher sensitivity to hydrogen than that of a commercially available UHV-TDS system was achieved using H+-implanted Si samples. Quantitative analysis of an amorphous oxide semiconductor InGaZnO4 thin film (1 cm × 1 cm × 1 μm thickness, hydrogen concentration of 4.5 × 1017 atoms/cm3) was demonstrated using the HHS-TDS system. This concentration level cannot be detected using UHV-TDS or secondary ion mass spectroscopy (SIMS) systems. The hydrogen detection limit of the HHS-TDS system was estimated to be ˜1 × 1016 atoms/cm3, which implies ˜2 orders of magnitude higher sensitivity than that of SIMS and resonance nuclear reaction systems (˜1018 atoms/cm3).

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.

Software User’s Manual for the RAILCAR4.1 Toxic Industrial Chemical Source Characterization Program

DTIC Science & Technology

2015-04-01

average cloud area during formation as half of the final cloud area of  Dc2/4.    Since the equations for these parameters can be quite  complex , the...hydrogen chloride  propane (LPG)  chlorine  hydrogen  cyanide  sulfur dioxide  chlorine dioxide  hydrogen fluoride  sulfuric acid  cyanogen chloride

A survey of local interstellar hydrogen from OAO-2 observations of Lyman alpha absorption

NASA Technical Reports Server (NTRS)

Savage, B. D.; Jenkins, E. B.

1972-01-01

The Wisconsin far ultraviolet spectrometer aboard OAO-2 observed the wavelength region near 1216 A for 69 stars of spectral type B2 or earlier. From the strength of the observed interstellar L sub alpha absorption, atomic hydrogen column densities were derived over distances averaging 300 pc away from the sun. The OAO data were compared to synthetic ultraviolet spectra, originally derived from earlier higher resolution rocket observations, which were computer processed to simulate the effects of absorption by different amounts of hydrogen followed by the instrumental blending.

Peroxide as a Novel Treatment for Ecchymoses

PubMed Central

Sroa, Novie; Campbell, Shannon M.; Bechtel, Mark A.; Mitch Opremcak, E.

2010-01-01

Ecchymoses, commonly known as bruises, frequently occur after injury to the skin causes extravasation of red blood cells into interstitial tissue. This extravasation can lead to an inflammatory cascade. The case report presented details one patient who displayed rapid improvement in the pain and appearance of a partially treated bruise on her thigh after an eight-hour application of hydrogen peroxide 15% carbamide gel under occlusion. Hydrogen peroxide 15% carbamide gel may represent a novel treatment for ecchymoses. This potential new treatment for bruises needs to be studied further to detail its adverse effects, safety profile, and efficacy profile. PMID:21103315

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.

Elastic scattering of low energy electrons in partially ionized dense semiclassical plasma

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

Dzhumagulova, K. N., E-mail: dzhumagulova.karlygash@gmail.com; Shalenov, E. O.; Ramazanov, T. S.

2015-08-15

Elastic scattering of electrons by hydrogen atoms in a dense semiclassical hydrogen plasma for low impact energies has been studied. Differential scattering cross sections were calculated within the effective model of electron-atom interaction taking into account the effect of screening as well as the quantum mechanical effect of diffraction. The calculations were carried out on the basis of the phase-function method. The influence of the diffraction effect on the Ramsauer–Townsend effect was studied on the basis of a comparison with results made within the effective polarization model of the Buckingham type.

Analysis of space tug operating techniques. Volume 2: Study results

NASA Technical Reports Server (NTRS)

1972-01-01

The design requirements for space tug systems and cost analysis of the refurbishment phases are discussed. The vehicle is an integral propulsion stage using liquid hydrogen and liquid oxygen as propellants and is capable of operating either as a fully or a partially autonomous vehicle. Structural features are an integral liquid hydrogen tank, a liquid oxygen tank, a meteoroid shield, an aft conical docking and structural support ring, and a staged combustion main engine. The vehicle is constructed of major modules for ease of maintenance. Line drawings and block diagrams are included to explain the maintenance requirements for the subsystems.

Alternative backing up pump for turbomolecular pumps

DOEpatents

Myneni, Ganapati Rao

2003-04-22

As an alternative to the use of a mechanical backing pump in the application of wide range turbomolecular pumps in ultra-high and extra high vacuum applications, palladium oxide is used to convert hydrogen present in the evacuation stream and related volumes to water with the water then being cryo-pumped to a low pressure of below about 1.e.sup.-3 Torr at 150.degree. K. Cryo-pumping is achieved using a low cost Kleemenco cycle cryocooler, a somewhat more expensive thermoelectric cooler, a Venturi cooler or a similar device to achieve the required minimization of hydrogen partial pressure.

Quantum statistical mechanics of dense partially ionized hydrogen

NASA Technical Reports Server (NTRS)

Dewitt, H. E.; Rogers, F. J.

1972-01-01

The theory of dense hydrogen plasmas beginning with the two component quantum grand partition function is reviewed. It is shown that ionization equilibrium and molecular dissociation equilibrium can be treated in the same manner with proper consideration of all two-body states. A quantum perturbation expansion is used to give an accurate calculation of the equation of state of the gas for any degree of dissociation and ionization. The statistical mechanical calculation of the plasma equation of state is intended for stellar interiors. The general approach is extended to the calculation of the equation of state of the outer layers of large planets.

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.

Effect on Grass and Cereal Seedlings of Hydrogen Cyanide Produced by Mycelium and Sporophores of Marasmius oreades

Treesearch

T. H. Filer

1966-01-01

Hydrogen cyanide caused root damage to Poa pratensis, Festuca rubra, and Agrostis tenuis when the grasses were suspended 7 days above a 28-day-old viable culture Marasmius oreades (Bolt. ) Fr. The amount of HCN produced by this culture (Washington isolate 1) averaged 49 ppm per 24 hours collected in 5 ml of...

Hydrogen ion input to the Hubbard Brook Experimental Forest, New Hampshire, during the last decade

Treesearch

Gene E. Likens; F. Herbert Bormann; John S. Eaton; Robert S. Pierce; Noye M. Johnson

1976-01-01

Being downwind of eastern and midwestern industrial centers, the Hubbard Brook Experimental Forest offers a prime location to monitor long-term trends in atmospheric chemistry. Continuous measurements of precipitation chemistry during the last 10 years provide a measure of recent changes in precipitation inputs of hydrogen ion. The weighted average pH of precipitation...

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.

Hydrogen Gas Inhalation Attenuates Seawater Instillation-Induced Acute Lung Injury via the Nrf2 Pathway in Rabbits.

PubMed

Diao, Mengyuan; Zhang, Sheng; Wu, Lifeng; Huan, Le; Huang, Fenglou; Cui, Yunliang; Lin, Zhaofen

2016-12-01

Seawater instillation-induced acute lung injury involves oxidative stress and apoptosis. Although hydrogen gas inhalation is reportedly protective in multiple types of lung injury, the effect of hydrogen gas inhalation on seawater instillation-induced acute lung injury remains unknown. This study investigated the effect of hydrogen gas on seawater instillation-induced acute lung injury and explored the mechanisms involved. Rabbits were randomly assigned to control, hydrogen (2 % hydrogen gas inhalation), seawater (3 mL/kg seawater instillation), and seawater + hydrogen (3 mL/kg seawater instillation + 2 % hydrogen gas inhalation) groups. Arterial partial oxygen pressure and lung wet/dry weight ratio were detected. Protein content in bronchoalveolar lavage fluid (BALF) and serum as well as tumor necrosis factor (TNF)-α, interleukin (IL)-1β, and IL-6 levels were determined. Hematoxylin-eosin staining was used to monitor changes in lung specimens, and malondialdehyde (MDA) content and myeloperoxidase (MPO) activity were assayed. In addition, NF-E2-related factor (Nrf) 2 and heme oxygenase (HO)-1 mRNA and protein expression were measured, and apoptosis was assessed by measuring caspase-3 expression and using terminal deoxy-nucleotidyl transferase dUTP nick end-labeling (TUNEL) staining. Hydrogen gas inhalation markedly improved lung endothelial permeability and decreased both MDA content and MPO activity in lung tissue; these changes were associated with decreases in TNF-α, IL-1β, and IL-6 in BALF. Hydrogen gas also alleviated histopathological changes and cell apoptosis. Moreover, Nrf2 and HO-1 expressions were significantly activated and caspase-3 expression was inhibited. These results demonstrate that hydrogen gas inhalation attenuates seawater instillation-induced acute lung injury in rabbits and that the protective effects observed may be related to the activation of the Nrf2 pathway.

Spin-wave resonances and surface spin pinning in Ga1-xMnxAs thin films

NASA Astrophysics Data System (ADS)

Bihler, C.; Schoch, W.; Limmer, W.; Goennenwein, S. T. B.; Brandt, M. S.

2009-01-01

We investigate the dependence of the spin-wave resonance (SWR) spectra of Ga0.95Mn0.05As thin films on the sample treatment. We find that for the external magnetic field perpendicular to the film plane, the SWR spectrum of the as-grown thin films and the changes upon etching and short-term hydrogenation can be quantitatively explained via a linear gradient in the uniaxial magnetic anisotropy field in growth direction. The model also qualitatively explains the SWR spectra observed for the in-plane easy-axis orientation of the external magnetic field. Furthermore, we observe a change in the effective surface spin pinning of the partially hydrogenated sample, which results from the tail in the hydrogen-diffusion profile. The latter leads to a rapidly changing hole concentration/magnetic anisotropy profile acting as a barrier for the spin-wave excitations. Therefore, short-term hydrogenation constitutes a simple method to efficiently manipulate the surface spin pinning.

Combustion of hydrogen injected into a supersonic airstream (the SHIP computer program)

NASA Technical Reports Server (NTRS)

Markatos, N. C.; Spalding, D. B.; Tatchell, D. G.

1977-01-01

The mathematical and physical basis of the SHIP computer program which embodies a finite-difference, implicit numerical procedure for the computation of hydrogen injected into a supersonic airstream at an angle ranging from normal to parallel to the airstream main flow direction is described. The physical hypotheses built into the program include: a two-equation turbulence model, and a chemical equilibrium model for the hydrogen-oxygen reaction. Typical results for equilibrium combustion are presented and exhibit qualitatively plausible behavior. The computer time required for a given case is approximately 1 minute on a CDC 7600 machine. A discussion of the assumption of parabolic flow in the injection region is given which suggests that improvement in calculation in this region could be obtained by use of the partially parabolic procedure of Pratap and Spalding. It is concluded that the technique described herein provides the basis for an efficient and reliable means for predicting the effects of hydrogen injection into supersonic airstreams and of its subsequent combustion.

Exploring the Reaction Pathways of Bioglycerol Hydrodeoxygenation to Propene over Molybdena-Based Catalysts.

PubMed

Zacharopoulou, Vasiliki; Vasiliadou, Efterpi S; Lemonidou, Angeliki A

2018-01-10

The one-step reaction of glycerol with hydrogen to form propene selectively is a particularly challenging catalytic pathway that has not yet been explored thoroughly. Molybdena-based catalysts are active and selective to C-O bond scission; propene is the only product in the gas phase under the standard reaction conditions, and further hydrogenation to propane is impeded. Within this context, this work focuses on the exploration of the reaction pathways and the investigation of various parameters that affect the catalytic performance, such as the role of hydrogen on the product distribution and the effect of the catalyst pretreatment step. Under a hydrogen atmosphere, propene is produced primarily via 2-propenol, whereas under an inert atmosphere propanal and glycerol dissociation products are formed mainly. The reaction most likely proceeds through a reverse Mars-van Krevelen mechanism as partially reduced Mo species drive the reaction to the formation of the desired product. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Efficient photocatalytic degradation of tetrabromodiphenyl ethers and simultaneous hydrogen production by TiO2-Cu2O composite films in N2 atmosphere: Influencing factors, kinetics and mechanism.

PubMed

Hu, Zhe; Wang, Xi; Dong, Haitai; Li, Shangyi; Li, Xukai; Li, Laisheng

2017-10-15

TiO 2 -Cu 2 O photocatalyst composite film with a heterostructure was synthesized on a copper substrate for 2,2',4,4'-tetrabromodiphenyl ether (BDE47) reduction. First, Cu 2 O film was synthesized by the electrochemical deposition method, and then TiO 2 was coated on the surface of the Cu 2 O film. The morphology, surface chemical composition and optical characteristics of TiO 2 -Cu 2 O film were characterized. The degradation efficiency of BDE47 and hydrogen production by TiO 2 -Cu 2 O films was higher than those by pure TiO 2 or Cu 2 O films. The highest BDE47 degradation efficiency of 90% and hydrogen production of 12.7mmolL liq -1 after 150min were achieved by 67%TiO 2 -Cu 2 O films. The influencing factors were investigated in terms of film component, solvent condition, and initial pH. A kinetics study demonstrated that BDE47 degradation followed a pseudo-first-order model. Photocatalytic apparent reaction rate constant of BDE47 by TiO 2 -Cu 2 O films was 0.0070min -1 , which was 3.3 times of that by directly photolysis process. During photocatalytic debrmination process, the photogenerated holes were reserved in the valance band of Cu 2 O to oxidize methanol. Meanwhile, the partial photogenerated electrons transferred to the conduction band of TiO 2 and directly eliminated the ortho-Br of BDE47 and yielded BDE28 and BDE15. The other partial photogenerated electrons reduced protons (H + ) to form atomic hydrogen (H°), which could substitute the para-Br of BDE47 and generated BDE17 and produce hydrogen. Copyright © 2017 Elsevier B.V. All rights reserved.

The Effect of Converting to a U.S. Hydrogen Fuel Cell Vehicle Fleet on Emissions and Energy Use

NASA Astrophysics Data System (ADS)

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

2004-12-01

This study analyzes the potential change in emissions and energy use from replacing fossil-fuel based vehicles with hydrogen fuel cell vehicles. This study examines three different hydrogen production scenarios to determine their resultant emissions and energy usage: hydrogen produced via 1) steam reforming of methane, 2) coal gasification, or 3) wind electrolysis. The atmospheric model simulations require two primary sets of data: the actual emissions associated with hydrogen fuel production and use, and the corresponding reduction in emissions associated with reducing fossil fuel use. The net change in emissions is derived using 1) the U.S. EPA's National Emission Inventory (NEI) that incorporates several hundred categories of on-road vehicles and 2) a Process Chain Analysis (PCA) for the different hydrogen production scenarios. NEI: The quantity of hydrogen-related emission is ultimately a function of the projected hydrogen consumption in on-road vehicles. Data for hydrogen consumption from on-road vehicles was derived from the number of miles driven in each U.S. county based on 1999 NEI data, the average fleet mileage of all on-road vehicles, the average gasoline vehicle efficiency, and the efficiency of advanced 2004 fuel cell vehicles. PCA: PCA involves energy and mass balance calculations around the fuel extraction, production, transport, storage, and delivery processes. PCA was used to examine three different hydrogen production scenarios: In the first scenario, hydrogen is derived from natural gas, which is extracted from gas fields, stored, chemically processed, and transmitted through pipelines to distributed fuel processing units. The fuel processing units, situated in similar locations as gasoline refueling stations, convert natural gas to hydrogen via a combination of steam reforming and fuel oxidation. Purified hydrogen is compressed for use onboard fuel cell vehicles. In the second scenario, hydrogen is derived from coal, which is extracted from mines and chemically processed into a hydrogen rich gas. Hydrogen is transmitted through pipelines to refueling stations. In the third scenario, hydrogen is derived via electrolysis powered by wind-generated electricity that has been transmitted across the country to electrolyzers at distributed hydrogen refueling stations. If hydrogen is produced via the first scenario, total annual U.S. production of carbon dioxide (CO2) could be expected to decrease by approximately 900 million metric tons, or 16 percent of annual U.S. CO2 production from all anthropogenic sources. Under this scenario, compared with the conventional vehicle fleet, a fuel cell vehicle fleet would produce some additional CO2 emissions due to the electric power required for the compression of hydrogen, but less CO2 emissions on the road during vehicle operation. This scenario results in an additional methane leakage of approximately one million metric tons per year, or 4 percent of annual U.S. methane emissions from all anthropogenic sources.

Calculation of the Full Scattering Amplitude without Partial Wave Decomposition. 2; Inclusion of Exchange

NASA Technical Reports Server (NTRS)

Shertzer, Janine; Temkin, Aaron

2004-01-01

The development of a practical method of accurately calculating the full scattering amplitude, without making a partial wave decomposition is continued. The method is developed in the context of electron-hydrogen scattering, and here exchange is dealt with by considering e-H scattering in the static exchange approximation. The Schroedinger equation in this approximation can be simplified to a set of coupled integro-differential equations. The equations are solved numerically for the full scattering wave function. The scattering amplitude can most accurately be calculated from an integral expression for the amplitude; that integral can be formally simplified, and then evaluated using the numerically determined wave function. The results are essentially identical to converged partial wave results.

Calculation of the Full Scattering Amplitude without Partial Wave Decomposition II: Inclusion of Exchange

NASA Technical Reports Server (NTRS)

Shertzer, Janine; Temkin, A.

2003-01-01

As is well known, the full scattering amplitude can be expressed as an integral involving the complete scattering wave function. We have shown that the integral can be simplified and used in a practical way. Initial application to electron-hydrogen scattering without exchange was highly successful. The Schrodinger equation (SE), which can be reduced to a 2d partial differential equation (pde), was solved using the finite element method. We have now included exchange by solving the resultant SE, in the static exchange approximation, which is reducible to a pair of coupled pde's. The resultant scattering amplitudes, both singlet and triplet, calculated as a function of energy are in excellent agreement with converged partial wave results.

The influence of partial cutting on mountain pine beetle-caused tree mortality in Black Hills ponderosa pine stands

Treesearch

J.M. Schmid; S.A. Mata; R.R. Kessler; J.B. Popp

2007-01-01

Ponderosa pine stands were partially cut to various stocking levels at five locations, periodically surveyed, and remeasured during the 20 years after installation. Mean diameter generally increased 2 inches over the 20-year period on most partially cut plots and less than 2 inches on unmanaged controls. Average diameter growth for diameter classes in partially cut...

Statistical, time series, and fractal analysis of full stretch of river Yamuna (India) for water quality management.

PubMed

Parmar, Kulwinder Singh; Bhardwaj, Rashmi

2015-01-01

River water is a major resource of drinking water on earth. Management of river water is highly needed for surviving. Yamuna is the main river of India, and monthly variation of water quality of river Yamuna, using statistical methods have been compared at different sites for each water parameters. Regression, correlation coefficient, autoregressive integrated moving average (ARIMA), box-Jenkins, residual autocorrelation function (ACF), residual partial autocorrelation function (PACF), lag, fractal, Hurst exponent, and predictability index have been estimated to analyze trend and prediction of water quality. Predictive model is useful at 95% confidence limits and all water parameters reveal platykurtic curve. Brownian motion (true random walk) behavior exists at different sites for BOD, AMM, and total Kjeldahl nitrogen (TKN). Quality of Yamuna River water at Hathnikund is good, declines at Nizamuddin, Mazawali, Agra D/S, and regains good quality again at Juhikha. For all sites, almost all parameters except potential of hydrogen (pH), water temperature (WT) crosses the prescribed limits of World Health Organization (WHO)/United States Environmental Protection Agency (EPA).

Encapsulation of small ionic molecules within alpha-cyclodextrins.

PubMed

Rodriguez, Javier; Elola, M Dolores

2009-02-05

Results from molecular dynamics experiments pertaining to the encapsulation of ClO4- within the hydrophobic cavity of an aqueous alpha-cyclodextrin (alpha-CD) are presented. Using a biased sampling procedure, we constructed the Gibbs free energy profile associated with the complexation process. The profile presents a global minimum at the vicinity of the primary hydroxyl groups, where the ion remains tightly coordinated to four water molecules via hydrogen bonds. Our estimate for the global free energy of encapsulation yields DeltaGenc approximately -2.5 kBT. The decomposition of the average forces acting on the trapped ion reveals that the encapsulation is controlled by Coulomb interactions between the ion and OH groups in the CD, with a much smaller contribution from the solvent molecules. Changes in the previous results, arising from the partial methylation of the host CD and modifications in the charge distribution of the guest molecule are also discussed. The global picture that emerges from our results suggests that the stability of the ClO4- encapsulation involves not only the individual ion but also its first solvation shell.

Energy balance in the solar transition region. I - Hydrostatic thermal models with ambipolar diffusion

NASA Technical Reports Server (NTRS)

Fontenla, J. M.; Avrett, E. H.; Loeser, R.

1990-01-01

The energy balance in the lower transition region is analyzed by constructing theoretical models which satisfy the energy balance constraint. The energy balance is achieved by balancing the radiative losses and the energy flowing downward from the corona. This energy flow is mainly in two forms: conductive heat flow and hydrogen ionization energy flow due to ambipolar diffusion. Hydrostatic equilibrium is assumed, and, in a first calculation, local mechanical heating and Joule heating are ignored. In a second model, some mechanical heating compatible with chromospheric energy-balance calculations is introduced. The models are computed for a partial non-LTE approach in which radiation departs strongly from LTE but particles depart from Maxwellian distributions only to first order. The results, which apply to cases where the magnetic field is either absent, or uniform and vertical, are compared with the observed Lyman lines and continuum from the average quiet sun. The approximate agreement suggests that this type of model can roughly explain the observed intensities in a physically meaningful way, assuming only a few free parameters specified as chromospheric boundary conditions.

Understanding the Origins of Dipolar Couplings and Correlated Motion in the Vibrational Spectrum of Water.

PubMed

Heyden, Matthias; Sun, Jian; Forbert, Harald; Mathias, Gerald; Havenith, Martina; Marx, Dominik

2012-08-16

The combination of vibrational spectroscopy and molecular dynamics simulations provides a powerful tool to obtain insights into the molecular details of water structure and dynamics in the bulk and in aqueous solutions. Applying newly developed approaches to analyze correlations of charge currents, molecular dipole fluctuations, and vibrational motion in real and k-space, we compare results from nonpolarizable water models, widely used in biomolecular modeling, to ab initio molecular dynamics. For the first time, we unfold the infrared response of bulk water into contributions from correlated fluctuations in the three-dimensional, anisotropic environment of an average water molecule, from the OH-stretching region down to the THz regime. Our findings show that the absence of electronic polarizability in the force field model not only results in differences in dipolar couplings and infrared absorption but also induces artifacts into the correlated vibrational motion between hydrogen-bonded water molecules, specifically at the intramolecular bending frequency. Consequently, vibrational motion is partially ill-described with implications for the accuracy of non-self-consistent, a posteriori methods to add polarizability.

Physical properties of beeswax, sunflower wax, and candelilla wax mixtures and organogels

USDA-ARS?s Scientific Manuscript database

There is increased interest in natural waxes as alternatives to partially hydrogenated oils and saturated fats as oil structuring agents. Using relatively low concentrations (0.5-5%), natural waxes are able to form crystalline networks, or organogels, which bind liquid oil. Each natural wax is uniqu...

Hydroxyl orientations in cellobiose and other polyhydroxy compounds – modeling versus experiment

USDA-ARS?s Scientific Manuscript database

Theoretical and experimental gas-phase studies of carbohydrates show that their hydroxyl groups are located in homodromic partial rings that resemble cooperative hydrogen bonds, albeit with long H…O distances and small O-H…O angles. On the other hand, anecdotal experience with disaccharide crystal ...

Dietary Trans Fatty Acids and Cardiovascular Disease Risk: Past and Present

USDA-ARS?s Scientific Manuscript database

Dietary trans double bond fatty acids have been associated with increased risk of cardiovascular disease. There are two main sources of dietary trans fatty acids: meat and dairy fats, and partially-hydrogenated oils. Due to a number of factors, including changes in federal labeling requirements fo...

Process for conversion of lignin to reformulated, partially oxygenated gasoline

DOEpatents

Shabtai, Joseph S.; Zmierczak, Wlodzimierz W.; Chornet, Esteban

2001-01-09

A high-yield process for converting lignin into reformulated, partially oxygenated gasoline compositions of high quality is provided. The process is a two-stage catalytic reaction process that produces a reformulated, partially oxygenated gasoline product with a controlled amount of aromatics. In the first stage of the process, a lignin feed material is subjected to a base-catalyzed depolymerization reaction, followed by a selective hydrocracking reaction which utilizes a superacid catalyst to produce a high oxygen-content depolymerized lignin product mainly composed of alkylated phenols, alkylated alkoxyphenols, and alkylbenzenes. In the second stage of the process, the depolymerized lignin product is subjected to an exhaustive etherification reaction, optionally followed by a partial ring hydrogenation reaction, to produce a reformulated, partially oxygenated/etherified gasoline product, which includes a mixture of substituted phenyl/methyl ethers, cycloalkyl methyl ethers, C.sub.7 -C.sub.10 alkylbenzenes, C.sub.6 -C.sub.10 branched and multibranched paraffins, and alkylated and polyalkylated cycloalkanes.

Process for the synthesis of aliphatic alcohol-containing mixtures

DOEpatents

Greene, Marvin I.; Gelbein, Abraham P.

1984-01-01

A process for the synthesis of mixtures which include saturated aliphatic alcohols is disclosed. In the first step of the process, the first catalyst activation stage, a catalyst, which comprises the oxides of copper, zinc, aluminum, potassium and one or two additional metals selected from the group consisting of chromium, magnesium, cerium, cobalt, thorium and lanthanum, is partially activated. In this step, a reducing gas stream, which includes hydrogen and at least one inert gas, flows past the catalyst at a space velocity of up to 5,000 liters (STP) per hour, per kilogram of catalyst. The partially activated catalyst is then subjected to the second step of the process, second-stage catalyst activation. In this step, the catalyst is contacted by an activation gas stream comprising hydrogen and carbon monoxide present in a volume ratio of 0.5:1 and 4:1, respectively, at a temperature of 200.degree. to 450.degree. C. and a pressure of between 35 and 200 atmospheres. The activation gas flows at a space velocity of from 1,000 to 20,000 liters (STP) per hour, per kilogram of catalyst. Second-stage activation continues until the catalyst is contacted with at least 500,000 liters (STP) of activation gas per kilogram of catalyst. The fully activated catalyst, in the third step of the process, contacts a synthesis gas stream comprising hydrogen and carbon monoxide.

Process for the synthesis of aliphatic alcohol-containing mixtures

DOEpatents

Greene, M.I.; Gelbein, A.P.

1984-10-16

A process for the synthesis of mixtures which include saturated aliphatic alcohols is disclosed. In the first step of the process, the first catalyst activation stage, a catalyst, which comprises the oxides of copper, zinc, aluminum, potassium and one or two additional metals selected from the group consisting of chromium, magnesium, cerium, cobalt, thorium and lanthanum, is partially activated. In this step, a reducing gas stream, which includes hydrogen and at least one inert gas, flows past the catalyst at a space velocity of up to 5,000 liters (STP) per hour, per kilogram of catalyst. The partially activated catalyst is then subjected to the second step of the process, second-stage catalyst activation. In this step, the catalyst is contacted by an activation gas stream comprising hydrogen and carbon monoxide present in a volume ratio of 0.5:1 and 4:1, respectively, at a temperature of 200 to 450 C and a pressure of between 35 and 200 atmospheres. The activation gas flows at a space velocity of from 1,000 to 20,000 liters (STP) per hour, per kilogram of catalyst. Second-stage activation continues until the catalyst is contacted with at least 500,000 liters (STP) of activation gas per kilogram of catalyst. The fully activated catalyst, in the third step of the process, contacts a synthesis gas stream comprising hydrogen and carbon monoxide.

Clusters of isoleucine, leucine, and valine side chains define cores of stability in high-energy states of globular proteins: Sequence determinants of structure and stability.

PubMed

Kathuria, Sagar V; Chan, Yvonne H; Nobrega, R Paul; Özen, Ayşegül; Matthews, C Robert

2016-03-01

Measurements of protection against exchange of main chain amide hydrogens (NH) with solvent hydrogens in globular proteins have provided remarkable insights into the structures of rare high-energy states that populate their folding free-energy surfaces. Lacking, however, has been a unifying theory that rationalizes these high-energy states in terms of the structures and sequences of their resident proteins. The Branched Aliphatic Side Chain (BASiC) hypothesis has been developed to explain the observed patterns of protection in a pair of TIM barrel proteins. This hypothesis supposes that the side chains of isoleucine, leucine, and valine (ILV) residues often form large hydrophobic clusters that very effectively impede the penetration of water to their underlying hydrogen bond networks and, thereby, enhance the protection against solvent exchange. The linkage between the secondary and tertiary structures enables these ILV clusters to serve as cores of stability in high-energy partially folded states. Statistically significant correlations between the locations of large ILV clusters in native conformations and strong protection against exchange for a variety of motifs reported in the literature support the generality of the BASiC hypothesis. The results also illustrate the necessity to elaborate this simple hypothesis to account for the roles of adjacent hydrocarbon moieties in defining stability cores of partially folded states along folding reaction coordinates. © 2015 The Protein Society.

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.

Thermodynamics of hydrogen bond patterns in supramolecular assemblies of water molecules.

PubMed

Henry, Marc

2002-07-02

The PACHA (Partial Atomic Charges and Hardnesses Analysis) formalism is applied to various supramolecular assemblies of water molecules. After a detailed study of all available crystal structures for ice polymorphs, we shown that the hydrogen bond strength is roughly constant below 1 GPa and considerably weakened above that value. New hydrogen bond patterns are proposed for ice IV, V, and VI after (EB) (electrostatic balance) minimization. For other polymorphs, there is an almost perfect coincidence between experimental and predicted hydrogen bond patterns. The evolution of hydrogen bond energy as a function of molecular geometry in water clusters with up to 280 water molecules and in large supramolecular compounds is quantitatively described. Intermolecular hydrogen bonds are found to lie between -9 and -32 kJ mol-1, the stronger interaction occurs within the spherical fully disordered water droplet buried at the heart of Müller's superfullerene keplerate. The weakest one occurs in a chiral molecular snub cube built from six calix[4]resorcinarene and eight water molecules. Intramolecular hydrogen bonds are found in the range -10-100 kJ mol-1 and can thus be considerably stronger than intermolecular bonds. Finally, through the investigation of a clathrate type I compound, it was possible to obtain a deep insight of the host-guest interactions and self-assembly rules of water cages in these materials.

Molecular Hydrogen Attenuates Neuropathic Pain in Mice

PubMed Central

Kawaguchi, Masanori; Satoh, Yasushi; Otsubo, Yukiko; Kazama, Tomiei

2014-01-01

Neuropathic pain remains intractable and the development of new therapeutic strategies are urgently required. Accumulating evidence indicates that overproduction of oxidative stress is a key event in the pathogenesis of neuropathic pain. However, repeated intra-peritoneal or intrathecal injections of antioxidants are unsuitable for continuous use in therapy. Here we show a novel therapeutic method against neuropathic pain: drinking water containing molecular hydrogen (H2) as antioxidant. The effect of hydrogen on neuropathic pain was investigated using a partial sciatic nerve ligation model in mice. As indicators of neuropathic pain, temporal aspects of mechanical allodynia and thermal hyperalgesia were analysed for 3 weeks after ligation. Mechanical allodynia and thermal hyperalgesia were measured using the von Frey test and the plantar test, respectively. When mice were allowed to drink water containing hydrogen at a saturated level ad libitum after ligation, both allodynia and hyperalgesia were alleviated. These symptoms were also alleviated when hydrogen was administered only for the induction phase (from day 0 to 4 after ligation). When hydrogen was administered only for the maintenance phase (from day 4 to 21 after ligation), hyperalgesia but not allodynia was alleviated. Immunohistochemical staining for the oxidative stress marker, 4-hydroxy-2-nonenal and 8-hydroxydeoxyguanosine, showed that hydrogen administration suppressed oxidative stress induced by ligation in the spinal cord and the dorsal root ganglion. In conclusion, oral administration of hydrogen water may be useful for alleviating neuropathic pain in a clinical setting. PMID:24941001

39 CFR 3010.22 - Calculation of less than annual limitation.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Postal Service files its notice of rate adjustment and dividing the sum by 12 (Recent Average). The partial year limitation is then calculated by dividing the Recent Average by the Recent Average from the most recent previous notice of rate adjustment (Previous Recent Average) applicable to each affected...

39 CFR 3010.22 - Calculation of less than annual limitation.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Postal Service files its notice of rate adjustment and dividing the sum by 12 (Recent Average). The partial year limitation is then calculated by dividing the Recent Average by the Recent Average from the most recent previous notice of rate adjustment (Previous Recent Average) applicable to each affected...

39 CFR 3010.22 - Calculation of less than annual limitation.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Postal Service files its notice of rate adjustment and dividing the sum by 12 (Recent Average). The partial year limitation is then calculated by dividing the Recent Average by the Recent Average from the most recent previous notice of rate adjustment (Previous Recent Average) applicable to each affected...

Haptic biofeedback for improving compliance with lower-extremity partial weight bearing.

PubMed

Fu, Michael C; DeLuke, Levi; Buerba, Rafael A; Fan, Richard E; Zheng, Ying Jean; Leslie, Michael P; Baumgaertner, Michael R; Grauer, Jonathan N

2014-11-01

After lower-extremity orthopedic trauma and surgery, patients are often advised to restrict weight bearing on the affected limb. Conventional training methods are not effective at enabling patients to comply with recommendations for partial weight bearing. The current study assessed a novel method of using real-time haptic (vibratory/vibrotactile) biofeedback to improve compliance with instructions for partial weight bearing. Thirty healthy, asymptomatic participants were randomized into 1 of 3 groups: verbal instruction, bathroom scale training, and haptic biofeedback. Participants were instructed to restrict lower-extremity weight bearing in a walking boot with crutches to 25 lb, with an acceptable range of 15 to 35 lb. A custom weight bearing sensor and biofeedback system was attached to all participants, but only those in the haptic biofeedback group were given a vibrotactile signal if they exceeded the acceptable range. Weight bearing in all groups was measured with a separate validated commercial system. The verbal instruction group bore an average of 60.3±30.5 lb (mean±standard deviation). The bathroom scale group averaged 43.8±17.2 lb, whereas the haptic biofeedback group averaged 22.4±9.1 lb (P<.05). As a percentage of body weight, the verbal instruction group averaged 40.2±19.3%, the bathroom scale group averaged 32.5±16.9%, and the haptic biofeedback group averaged 14.5±6.3% (P<.05). In this initial evaluation of the use of haptic biofeedback to improve compliance with lower-extremity partial weight bearing, haptic biofeedback was superior to conventional physical therapy methods. Further studies in patients with clinical orthopedic trauma are warranted. Copyright 2014, SLACK Incorporated.

Renewable hydrogen production via thermochemical/electrochemical coupling

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

Ambrosini, Andrea; Babiniec, Sean Michael; Miller, James E.

A coupled electrochemical/thermochemical cycle was investigated to produce hydrogen from renewable resources. Like a conventional thermochemical cycle, this cycle leverages chemical energy stored in a thermochemical working material that is reduced thermally by solar energy. However, in this concept, the stored chemical energy only needs to be partially, but not fully, capable of splitting steam to produce hydrogen. To complete the process, a proton-conducting membrane is driven to separate hydrogen as it is produced, thus shifting the thermodynamics toward further hydrogen production. This novel coupled-cycle concept provides several benefits. First, the required oxidation enthalpy of the reversible thermochemical material ismore » reduced, enabling the process to occur at lower temperatures. Second, removing the requirement for spontaneous steam-splitting widens the scope of materials compositions, allowing for less expensive/more abundant elements to be used. Lastly, thermodynamics calculations suggest that this concept can potentially reach higher efficiencies than photovoltaic-to-electrolysis hydrogen production methods. This Exploratory Express LDRD involved assessing the practical feasibility of the proposed coupled cycle. A test stand was designed and constructed and proton-conducting membranes were synthesized. While the full proof of concept was not achieved, the individual components of the experiment were validated and new capabilities that can be leveraged by a variety of programs were developed.« less

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

NASA Astrophysics Data System (ADS)

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

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

Unraveling the Hydrogenation of TiO 2 and Graphene Oxide/TiO 2 Composites in Real Time by in Situ Synchrotron X-ray Powder Diffraction and Pair Distribution Function Analysis

DOE PAGES

Nguyen-Phan, Thuy-Duong; Liu, Zongyuan; Luo, Si; ...

2016-02-18

The functionalization of graphene oxide (GO) and graphene by TiO 2 and other metal oxides has attracted considerable attention due to numerous promising applications in catalysis, energy conversion, and storage. We propose hydrogenation of this class of materials as a promising way to tune catalytic properties by altering the structural and chemical transformations that occur upon H incorporation. We also investigate the structural changes that occur during the hydrogenation process using in situ powder X-ray diffraction and pair distribution function analysis of GO–TiO 2 and TiO 2 under H 2 reduction. Sequential Rietveld refinement was employed to gain insight intomore » the evolution of crystal growth of TiO 2 nanoparticles in the presence of two-dimensional (2D) GO nanosheets. GO sheets not only significantly retarded the nucleation and growth of rutile impurities, stabilizing the anatase structure, but was also partially reduced to hydrogenated graphene by the introduction of atomic hydrogen into the honeycomb lattice. We discuss the hydrogenation processes and the resulting composite structure that occurs during the incorporation of atomic H and the dynamic structural transformations that leads to a highly active photocatalyst.« less

Conversion of para and ortho hydrogen in the Jovian planets

NASA Technical Reports Server (NTRS)

Massie, S. T.; Hunten, D. M.

1982-01-01

A mechanism is proposed which partially equilibrates the para and ortho rotational levels of molecular hydrogen in the atmospheres of Jupiter, Saturn, and Uranus. Catalytic reactions between the free-radical surface sites of aerosol particles and hydrogen modecules yield significant equilibration near 1 bar pressure, if the efficiency of conversion per collision is between 10 to the -8th and 10 to the -10th and the effective eddy mixing coefficient is 10,000 sq cm/sec. At lower pressures the ortho-para ratio retains the value at the top of the cloud layer, except for a very small effect from conversion in the thermosphere. The influence of conversion on the specific heat and adiabatic lapse rate is also investigated. The effect is found to be generally small, though is can rise to 10% inside the aerosol layer.

Thin-thick hydrogen target for nuclear physics

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

Gheller, J.-M.; Juster, F.-P.; Authelet, G.

In spectroscopic studies of unstable nuclei, hydrogen targets are of key importance. The CHyMENE Project aims to provide to the nuclear physics community a thin and pure solid windowless hydrogen or deuterium target. CHyMENE project must respond to this request for the production of solid Hydrogen. The solid hydrogen target is produced in a continuous flow (1 cm/s) by an extrusion technique (developed with the PELIN laboratory) in a vacuum chamber. The shape of the target is determined by the design of the nozzle at the extrusion process. For the purpose, the choice is a rectangular shape with a widthmore » of 10 mm and a thickness in the range of 30-50 microns necessary for the physics objectives. The cryostat is equipped with a GM Cryocooler with sufficient power for the solidification of the hydrogen in the lower portion of the extruder. In the higher part of the cryostat, the hydrogen gas is first liquefied and partially solidified. It is then compressed at 100 bars in the cooled extruder before expulsion of the film through the nozzle at the center of the reaction vacuum chamber. After the previous step, the solid hydrogen ribbon falls by gravity into a dedicated chamber where it sublimes and the gas is pumped and evacuated in a exhaust line. This paper deals with the design of the cryostat with its equipment, with the sizing of the thermal bridge (Aluminum and copper), with the results regarding the contact resistance as well as with the vacuum computations of the reaction and recovery hydrogen gas chambers.« less

Chemical composition and cytotoxicity evaluation of essential oil from leaves of Casearia sylvestris, its main compound α-zingiberene and derivatives.

PubMed

Bou, Diego Dinis; Lago, João Henrique G; Figueiredo, Carlos R; Matsuo, Alisson L; Guadagnin, Rafael C; Soares, Marisi G; Sartorelli, Patricia

2013-08-08

Casearia sylvestris (Salicaceae), popularly known as "guaçatonga", is a plant widely used in folk medicine to treat various diseases, including cancer. The present work deals with the chemical composition as well as the cytotoxic evaluation of its essential oil, its main constituent and derivatives. Thus, the crude essential oil from leaves of C. sylvestris was obtained using a Clevenger type apparatus and analyzed by GC/MS. This analysis afforded the identification of 23 substances, 13 of which corresponded to 98.73% of the total oil composition, with sesquiterpene a-zingiberene accounting for 50% of the oil. The essential oil was evaluated for cytotoxic activity against several tumor cell lines, giving IC50 values ranging from 12 to 153 mg/mL. Pure a-zingiberene, isolated from essential oil, was also evaluated against the tumor cell lines showing activity for HeLa, U-87, Siha and HL60 cell lines, but with IC50 values higher than those determined for the crude essential oil. Aiming to evaluate the effect of the double bonds of a-zingiberene on the cytotoxic activity, partially hydrogenated a-zingiberene (PHZ) and fully hydrogenated a-zingiberene (THZ) derivatives were obtained. For the partially hydrogenated derivative only cytotoxic activity to the B16F10-Nex2 cell line (IC50 65 mg/mL) was detected, while totally hydrogenated derivative showed cytotoxic activity for almost all cell lines, with B16F10-Nex2 and MCF-7 as exceptions and with IC50 values ranging from 34 to 65 mg/mL. These results indicate that cytotoxic activity is related with the state of oxidation of compound.

Water Molecules and Hydrogen-Bonded Networks in Bacteriorhodopsin—Molecular Dynamics Simulations of the Ground State and the M-Intermediate

PubMed Central

Grudinin, Sergei; Büldt, Georg; Gordeliy, Valentin; Baumgaertner, Artur

2005-01-01

Protein crystallography provides the structure of a protein, averaged over all elementary cells during data collection time. Thus, it has only a limited access to diffusive processes. This article demonstrates how molecular dynamics simulations can elucidate structure-function relationships in bacteriorhodopsin (bR) involving water molecules. The spatial distribution of water molecules and their corresponding hydrogen-bonded networks inside bR in its ground state (G) and late M intermediate conformations were investigated by molecular dynamics simulations. The simulations reveal a much higher average number of internal water molecules per monomer (28 in the G and 36 in the M) than observed in crystal structures (18 and 22, respectively). We found nine water molecules trapped and 19 diffusive inside the G-monomer, and 13 trapped and 23 diffusive inside the M-monomer. The exchange of a set of diffusive internal water molecules follows an exponential decay with a 1/e time in the order of 340 ps for the G state and 460 ps for the M state. The average residence time of a diffusive water molecule inside the protein is ∼95 ps for the G state and 110 ps for the M state. We have used the Grotthuss model to describe the possible proton transport through the hydrogen-bonded networks inside the protein, which is built up in the picosecond-to-nanosecond time domains. Comparing the water distribution and hydrogen-bonded networks of the two different states, we suggest possible pathways for proton hopping and water movement inside bR. PMID:15731388

Simultaneous determination of the styrene unit content and assessment of molecular weight of triblock copolymers in adhesives by a size exclusion chromatography method.

PubMed

Wang, Mingfang; Wang, Yuerong; Luo, Pei; Zhang, Hongyang; Zhang, Min; Hu, Ping

2017-10-01

The content of styrene units in nonhydrogenated and hydrogenated styrene-butadiene-styrene and styrene-isoprene-styrene triblock copolymers significantly influences product performance. A size exclusion chromatography method was developed to determine the average styrene content of triblock copolymers blended with tackifier in adhesives. A complete separation of the triblock copolymer from the other additives was realized with size exclusion chromatography. The peak area ratio of the UV and refraction index signals of the copolymers at the same effective elution volume was correlated to the average styrene unit content using nuclear magnetic resonance spectroscopy with commercial copolymers as standards. The obtained calibration curves showed good linearity for both the hydrogenated and nonhydrogenated styrene-butadiene-styrene and styrene-isoprene-styrene triblock copolymers (r = 0.974 for styrene contents of 19.3-46.3% for nonhydrogenated ones and r = 0.970 for the styrene contents of 23-58.2% for hydrogenated ones). For copolymer blends, the developed method provided more accurate average styrene unit contents than nuclear magnetic resonance spectroscopy provided. These results were validated using two known copolymer blends consisting of either styrene-isoprene-styrene or hydrogenated styrene-butadiene-styrene and a hydrocarbon tackifying resin as well as an unknown adhesive with styrene-butadiene-styrene and an aromatic tackifying resin. The methodology can be readily applied to styrene-containing polymers in blends such as poly(acrylonitrile-butadiene styrene). © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Calculations of High-Temperature Jet Flow Using Hybrid Reynolds-Average Navier-Stokes Formulations

NASA Technical Reports Server (NTRS)

Abdol-Hamid, Khaled S.; Elmiligui, Alaa; Giriamaji, Sharath S.

2008-01-01

Two multiscale-type turbulence models are implemented in the PAB3D solver. The models are based on modifying the Reynolds-averaged Navier Stokes equations. The first scheme is a hybrid Reynolds-averaged- Navier Stokes/large-eddy-simulation model using the two-equation k(epsilon) model with a Reynolds-averaged-Navier Stokes/large-eddy-simulation transition function dependent on grid spacing and the computed turbulence length scale. The second scheme is a modified version of the partially averaged Navier Stokes model in which the unresolved kinetic energy parameter f(sub k) is allowed to vary as a function of grid spacing and the turbulence length scale. This parameter is estimated based on a novel two-stage procedure to efficiently estimate the level of scale resolution possible for a given flow on a given grid for partially averaged Navier Stokes. It has been found that the prescribed scale resolution can play a major role in obtaining accurate flow solutions. The parameter f(sub k) varies between zero and one and is equal to one in the viscous sublayer and when the Reynolds-averaged Navier Stokes turbulent viscosity becomes smaller than the large-eddy-simulation viscosity. The formulation, usage methodology, and validation examples are presented to demonstrate the enhancement of PAB3D's time-accurate turbulence modeling capabilities. The accurate simulations of flow and turbulent quantities will provide a valuable tool for accurate jet noise predictions. Solutions from these models are compared with Reynolds-averaged Navier Stokes results and experimental data for high-temperature jet flows. The current results show promise for the capability of hybrid Reynolds-averaged Navier Stokes and large eddy simulation and partially averaged Navier Stokes in simulating such flow phenomena.

Controlling Hydrogen Embrittlement in Ultra-High Strength Steels

DTIC Science & Technology

2006-06-01

this tempering temperature, (5) finely distributed, partly coherent M2C (where M = 75 at.% Cr, 13 Fe and 12 Mo) in martensite , averaging 2 nm...states in a complex precipitation hardened martensitic microstructure and is susceptible to severe hydrogen embrittlement (HE) at threshold stress...repartitions to interstitial sites proximate to the highly stressed crack tip and, subsequently, may retrap at martensitic lath interfaces to produce substantial

Hollow porous-wall glass microspheres for hydrogen storage

DOEpatents

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

2010-02-23

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

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.

Hexagonal boron nitride nanoparticles decorated halloysite clay nanotubes as a potential hydrogen storage medium

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

Muthu, R. Naresh, E-mail: rnaresh7708@gmail.com; Rajashabala, S.; Kannan, R.

2016-05-23

The light weight and compact hydrogen storage materials is still prerequisite for the carbon free hydrogen fuel cell technology. In this work, the hydrogen storage performance of acid treated halloysite clay nanotubes (A-HNTs) and hexagonal boron nitride (h-BN) nanoparticles decorated acid treated halloysite nanoclay composite (A-HNT-h-BN) are demonstrated, where facile ultrasonic technique is adopted for the synthesis of A-HNT-h-BN nanoclay composite. Hydrogen storage studies were carried out using Sieverts-like hydrogenation setup. The A-HNTs and A-HNT-h-BN nanoclay composite were analyzed by XRD, FTIR, HRTEM, EDX, CHNS-elemental analysis and TGA. The A-HNT-h-BN nanoclay composite shows superior storage capacity of 2.19 wt% atmore » 50 °C compared to the A-HNTs (0.58 wt%). A 100% desorption of stored hydrogen is noted in the temperature range of 138–175 °C. The average binding energy of hydrogen was found to be 0.34 eV for the prepared A-HNT-h-BN nanoclay composite. The excellent storage capability of A-HNT-h-BN nanoclay composite towards hydrogen at ambient temperature may find bright perspective in hydrogen fuel cell technology in near future.« less

Enhanced Hydrogen Storage Properties and Reversibility of LiBH4 Confined in Two-Dimensional Ti3C2.

PubMed

Zang, Lei; Sun, Weiyi; Liu, Song; Huang, Yike; Yuan, Huatang; Tao, Zhanliang; Wang, Yijing

2018-05-30

LiBH 4 is of particular interest as one of the most promising materials for solid-state hydrogen storage. Herein, LiBH 4 is confined into a novel two-dimensional layered Ti 3 C 2 MXene through a facile impregnation method for the first time to improve its hydrogen storage performance. The initial desorption temperature of LiBH 4 is significantly reduced, and the de-/rehydrogenation kinetics are remarkably enhanced. It is found that the initial desorption temperature of LiBH 4 @2Ti 3 C 2 hybrid decreases to 172.6 °C and releases 9.6 wt % hydrogen at 380 °C within 1 h, whereas pristine LiBH 4 only releases 3.2 wt % hydrogen under identical conditions. More importantly, the dehydrogenated products can partially rehydrogenate at 300 °C and under 95 bar H 2 . The nanoconfined effect caused by unique layered structure of Ti 3 C 2 can hinder the particles growth and agglomeration of LiBH 4 . Meanwhile, Ti 3 C 2 could possess superior effect to destabilize LiBH 4 . The synergetic effect of destabilization and nanoconfinement contributes to the remarkably lowered desorption temperature and improved de-/rehydrogenation kinetics.

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.

Resistive hydrogen sensing element

DOEpatents

Lauf, Robert J.

2000-01-01

Systems and methods are described for providing a hydrogen sensing element with a more robust exposed metallization by application of a discontinuous or porous overlay to hold the metallization firmly on the substrate. An apparatus includes: a substantially inert, electrically-insulating substrate; a first Pd containing metallization deposited upon the substrate and completely covered by a substantially hydrogen-impermeable layer so as to form a reference resistor on the substrate; a second Pd containing metallization deposited upon the substrate and at least a partially accessible to a gas to be tested, so as to form a hydrogen-sensing resistor; a protective structure disposed upon at least a portion of the second Pd containing metallization and at least a portion of the substrate to improve the attachment of the second Pd containing metallization to the substrate while allowing the gas to contact said the second Pd containing metallization; and a resistance bridge circuit coupled to both the first and second Pd containing metallizations. The circuit determines the difference in electrical resistance between the first and second Pd containing metallizations. The hydrogen concentration in the gas may be determined. The systems and methods provide advantages because adhesion is improved without adversely effecting measurement speed or sensitivity.

Use of a copolymer dressing on superficial and partial-thickness burns in a paediatric population.

PubMed

Everett, M; Massand, S; Davis, W; Burkey, B; Glat, P M

2015-07-01

Despite extensive research into the treatment of partial-thickness burns, to date there has not been the emergence of a preeminent modality. This pilot study, the first such study to be performed in a burn unit in the US, was designed to evaluate the efficacy and outcomes of the application of copolymer dressing (Suprathel; PolyMedics Innovations Corporation, Stuttgart, Germany) for both superficial and deeper partial-thickness burns. The copolymer dressing was used as a primary wound dressing to treat superficial and deep partial-thickness burns (average 5% total body surface area) in paediatric patients. Burns were debrided within 24 hours, at bedside, in the burn unit or in the operating room. The copolymer dressing was then applied directly to the wound and covered with a non-adherent second layer and an absorptive outer dressing. After discharge, patients were seen every 5-7 days until healed. Parameters evaluated included average hospital length of stay, average number of intravenous doses of narcotics administered, pain score at first follow-up visit, average time to complete re epithelialisation, incidence of burn wound infection, and patient/parent satisfaction on a 4-point scale. We also evaluated our experience with the dressing. Data were evaluated retrospectively under an Investigational Review Board approved protocol. Of the 17 patients assessed the average hospital length of stay was 1.4 days during which the average number of intravenous narcotic doses administered before copolymer dressing application was 1.5 and after was 0.1 doses. At the first follow-up visit, average pain score was 1.2 on a 10-point scale and the average time to re epithelialisation was 9.5 days. There was no incidence of burn wound infection. Patient/parent satisfaction was average of 3.66 on a 4-point scale. The staff had found that the self-adherence and elasticity of the dressing made it easy to apply and stay adherent, especially in areas of difficult contour. There were no readmissions for further debridement or skin grafting. Our experience shows that patients may be discharged shortly after the application of the copolymer dressing, with manageable pain scores and ease of use as determined by the caretakers high satisfaction. This new, fully synthetic copolymer dressing is easy to apply, does not require any additional antimicrobial coverage and may be used to successfully manage deeper partial-thickness burns, donor sites or burns in areas of contour, where many other dressings might not be considered or be appropriate. None declared.

Isotope Induced Proton Ordering in Partially Deuterated Aspirin

NASA Astrophysics Data System (ADS)

Schiebel, P.; Papoular, R. J.; Paulus, W.; Zimmermann, H.; Detken, A.; Haeberlen, U.; Prandl, W.

1999-08-01

We report the nuclear density distribution of partially deuterated aspirin, C8H5O4-CH2D, at 300 and 15 K, as determined by neutron diffraction coupled with maximum entropy method image reconstruction. While fully protonated and fully deuterated methyl groups in aspirin are delocalized at low temperatures due to quantum mechanical tunneling, we provide here direct evidence that in aspirin- CH2D at 15 K the methyl hydrogens are localized, while randomly distributed over three sites at 300 K. This is the first observation by diffraction methods of low-temperature isotopic ordering in condensed matter.

40 CFR 60.1885 - What must I include in my annual report?

Code of Federal Regulations, 2010 CFR

2010-07-01

...) Dioxins/furans. (2) Cadmium. (3) Lead (4) Mercury. (5) Opacity. (6) Particulate matter. (7) Hydrogen... controlling dioxins/furans or mercury emissions, include four records: (1) The average carbon feed rates recorded during the most recent dioxins/furans and mercury stack tests. (2) The lowest 8-hour block average...

Light metal decoration on nitrogen/sulfur codoped graphyne: An efficient strategy for designing hydrogen storage media

NASA Astrophysics Data System (ADS)

Mohajeri, Afshan; Shahsavar, Azin

2018-07-01

Nitrogen/sulfur dual doped carbon materials have attracted a great deal of interest due to their fascinating applications in lithium ion batteries, hydrogen storage, and oxygen reduction reactions. Here, the hydrogen storage capacity of NS dual-doped graphyne (GYNS) decorated with Li or Na is theoretically explored. The NS-codoping leads to greater charge transfer and stronger binding between the alkali metal and graphyne surface giving rise to enhanced hydrogen storage capacity. We showed that the NS-codoping increases the hydrogen storage capacities of Li-decorated and Na-decorated GY by almost 30% and 60%, respectively. At high NS concentration, the hydrogen uptake capacities can reach to 8.98 wt% and 9.34 wt% for double-side Li- decorated GYNS and Na-decorated GYNS. Moreover, the average adsorption energies per H2 are -0.27 eV for 2Li/GYNS(33.3%) and -0.26 eV for 2Na/GYNS(33.3%) which lie in desirable range for practical applications at ambient conditions.

UV irradiation of polycyclic aromatic hydrocarbons in ices: production of alcohols, quinones, and ethers

NASA Technical Reports Server (NTRS)

Bernstein, M. P.; Sandford, S. A.; Allamandola, L. J.; Gillette, J. S.; Clemett, S. J.; Zare, R. N.

1999-01-01

Polycyclic aromatic hydrocarbons (PAHs) in water ice were exposed to ultraviolet (UV) radiation under astrophysical conditions, and the products were analyzed by infrared spectroscopy and mass spectrometry. Peripheral carbon atoms were oxidized, producing aromatic alcohols, ketones, and ethers, and reduced, producing partially hydrogenated aromatic hydrocarbons, molecules that account for the interstellar 3.4-micrometer emission feature. These classes of compounds are all present in carbonaceous meteorites. Hydrogen and deuterium atoms exchange readily between the PAHs and the ice, which may explain the deuterium enrichments found in certain meteoritic molecules. This work has important implications for extraterrestrial organics in biogenesis.

In-reactor oxidation of zircaloy-4 under low water vapor pressures

NASA Astrophysics Data System (ADS)

Luscher, Walter G.; Senor, David J.; Clayton, Kevin K.; Longhurst, Glen R.

2015-01-01

Complementary in- and ex-reactor oxidation tests have been performed to evaluate the oxidation and hydrogen absorption performance of Zircaloy-4 (Zr-4) under relatively low partial pressures (300 and 1000 Pa) of water vapor at specified test temperatures (330 and 370 °C). Data from these tests will be used to support the fabrication of components intended for isotope-producing targets and provide information regarding the temperature and pressure dependence of oxidation and hydrogen absorption of Zr-4 over the specified range of test conditions. Comparisons between in- and ex-reactor test results were performed to evaluate the influence of irradiation.

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.

Development of rigorous fatty acid near-infrared spectroscopy quantitation methods in support of soybean oil improvement

USDA-ARS?s Scientific Manuscript database

The seed of soybean (Glycine max L. Merr) is a valuable source of high quality edible oil and protein. Despite dramatic breeding gains over the past 80 years, soybean seed oil continues to be oxidatively unstable. Until recently, the majority of soybean oil underwent partial chemical hydrogenation. ...

Evidence for extended chromospheres surrounding red giant stars

NASA Technical Reports Server (NTRS)

Stencel, R. E.

1982-01-01

Observational evidence and theoretical arguments are summarized which indicate that regions of partially ionized hydrogen extending several stellar radii are an important feature of red giant and supergiant stars. The implications of the existence of extended chromospheres are examined in terms of the nature of the other atmospheres of, and mass loss from cool stars.

Catalytic Partial Oxidation Reforming of JP8 AND S8

DTIC Science & Technology

2007-06-01

separated from the gas mixtures. The membrane used is normally palladium . This membrane allows the hydrogen created to be used as fuel in the fuel cell...for a hydrocarbon such as propane, a catalyst with rhodium (Rh) supported on alumina has shown promising results. Pt and Ni catalysts have been

Genotyping-by-sequencing-based investigation of the genetic architecture responsible for a ~sevenfold increase in soybean seed stearic acid

USDA-ARS?s Scientific Manuscript database

Soybean oil is highly unsaturated and oxidatively unstable, rendering it non-ideal for most food applications. Until recently, the majority of soybean oil underwent partial chemical hydrogenation, a process which produces trans fats as an unavoidable consequence. Dietary intake of trans fat and most...

Microorganisms detected by enzyme-catalyzed reaction

NASA Technical Reports Server (NTRS)

Vango, S. P.; Weetall, H. H.; Weliky, N.

1966-01-01

Enzymes detect the presence of microorganisms in soils. The enzyme lysozymi is used to release the enzyme catalase from the microorganisms in a soil sample. The catalase catalyzes the decomposition of added hydrogen peroxide to produce oxygen which is detected manometrically. The partial pressure of the oxygen serves as an index of the samples bacteria content.

Resonant states for the scattering of slow particles by screened potentials

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

Bruk, Yu. M., E-mail: yubruk@gmail.com; Voloshchuk, A. N.

2016-09-15

Partial resonant situations for the scattering of slow particles with nonzero angular momenta by short-range screened Yukawa and Buckingham potentials are considered. The problem of electron scattering by a hydrogen atom placed in a plasma medium is discussed. A general scheme of resonances has been constructed in the Pais approximation.

Combinatorial Partial Hydrogenation Reactions of 4-Nitroacetophenone: An Undergraduate Organic Laboratory

ERIC Educational Resources Information Center

Kittredge, Kevin W.; Marine, Susan S.; Taylor, Richard T.

2004-01-01

A molecule possessing other functional groups that could be hydrogenerated is examined, where a variety of metal catalysts are evaluated under similar reaction conditions. Optimizing organic reactions is both time and labor intensive, and the use of a combinatorial parallel synthesis reactor was great time saving device, as per summary.

Coal liquefaction process

DOEpatents

Carr, Norman L.; Moon, William G.; Prudich, Michael E.

1983-01-01

A C.sub.5 -900.degree. F. (C.sub.5 -482.degree. C.) liquid yield greater than 50 weight percent MAF feed coal is obtained in a coal liquefaction process wherein a selected combination of higher hydrogen partial pressure, longer slurry residence time and increased recycle ash content of the feed slurry are controlled within defined ranges.

Properties of organogels of high stearic soybean oil

USDA-ARS?s Scientific Manuscript database

Recently, the U.S. Food and Drug Administration (FDA) announced that food companies have to phase out the use of partially hydrogenated oils containing trans-fats by 2018. The use of high-stearic oils has been recognized as one of the ways to replace trans fats in food. Organogels also have drawn a ...

78 FR 79701 - Tentative Determination Regarding Partially Hydrogenated Oils; Request for Comments and for...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-12-31

... therefore are subject to regulation as food additives. We are taking this action in response to multiple... DEPARTMENT OF HEALTH AND HUMAN SERVICES Food and Drug Administration [Docket No. FDA-2013-N-1317... and Information; Extension of Comment Period AGENCY: Food and Drug Administration, HHS. ACTION: Notice...

Interactions of hydrogen with amorphous hafnium oxide

NASA Astrophysics Data System (ADS)

Kaviani, Moloud; Afanas'ev, Valeri V.; Shluger, Alexander L.

2017-02-01

We used density functional theory (DFT) calculations to study the interaction of hydrogen with amorphous hafnia (a -HfO2 ) using a hybrid exchange-correlation functional. Injection of atomic hydrogen, its diffusion towards electrodes, and ionization can be seen as key processes underlying charge instability of high-permittivity amorphous hafnia layers in many applications. Hydrogen in many wide band gap crystalline oxides exhibits negative-U behavior (+1 and -1 charged states are thermodynamically more stable than the neutral state) . Our results show that in a -HfO2 hydrogen is also negative-U, with charged states being the most thermodynamically stable at all Fermi level positions. However, metastable atomic hydrogen can share an electron with intrinsic electron trapping precursor sites [Phys. Rev. B 94, 020103 (2016)., 10.1103/PhysRevB.94.020103] forming a [etr -+O -H ] center, which is lower in energy on average by about 0.2 eV. These electron trapping sites can affect both the dynamics and thermodynamics of the interaction of hydrogen with a -HfO2 and the electrical behavior of amorphous hafnia films in CMOS devices.

STME Hydrogen Mixer Study

NASA Technical Reports Server (NTRS)

Blumenthal, Rob; Kim, Dongmoon; Bache, George

1992-01-01

The hydrogen mixer for the Space Transportation Main Engine is used to mix cold hydrogen bypass flow with warm hydrogen coolant chamber gas, which is then fed to the injectors. It is very important to have a uniform fuel temperature at the injectors in order to minimize mixture ratio problems due to the fuel density variations. In addition, the fuel at the injector has certain total pressure requirements. In order to achieve these objectives, the hydrogen mixer must provide a thoroughly mixed fluid with a minimum pressure loss. The AEROVISC computational fluid dynamics (CFD) code was used to analyze the STME hydrogen mixer, and proved to be an effective tool in optimizing the mixer design. AEROVISC, which solves the Reynolds Stress-Averaged Navier-Stokes equations in primitive variable form, was used to assess the effectiveness of different mixer designs. Through a parametric study of mixer design variables, an optimal design was selected which minimized mixed fuel temperature variation and fuel mixer pressure loss. The use of CFD in the design process of the STME hydrogen mixer was effective in achieving an optimal mixer design while reducing the amount of hardware testing.

The PEMFC-integrated CO oxidation — a novel method of simplifying the fuel cell plant

NASA Astrophysics Data System (ADS)

Rohland, Bernd; Plzak, Vojtech

Natural gas and methanol are the most economical fuels for residential fuel cell power generators as well as for mobile PEM-fuel cells. However, they have to be reformed with steam into hydrogen, which is to be cleaned from CO by shift-reaction and by partial oxidation to a level of no more than 30 ppm CO. This level is set by the Pt/Ru-C-anode of the PEMFC. A higher partial oxidation reaction rate for CO than those of Pt/Ru-C can be achieved in an oxidic Au-catalyst system. In the Fe 2O 3-Au system, a reaction rate of 2·10 -3 mol CO/s g Au at 1000 ppm CO and 5% "air bleed" at 80°C is achieved. This high rate allows to construct a catalyst-sheet for each cell within a PEMFC-stack. Practical and theoretical current/voltage characteristics of PEMFCs with catalyst-sheet are presented at 1000 ppm CO in hydrogen with 5% "air bleed". This gives the possibility of simplifying the gas processor of the plant.

Mechanistic Insights on the Hydrogenation of α,β-Unsaturated Ketones and Aldehydes to Unsaturated Alcohols over Metal Catalysts

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

Ide, Matthew S.; Hao, Bing; Neurock, Matthew

The selective hydrogenation of unsaturated ketones (methyl vinyl ketone and benzalacetone) and unsaturated aldehydes (crotonaldehyde and cinnamaldehyde) was carried out with H₂ at 2 bar absolute over Pd/C, Pt/C, Ru/C, Au/C, Au/TiO₂, or Au/Fe₂O₃ catalysts in ethanol or water solvent at 333 K. Comparison of the turnover frequencies revealed Pd/C to be the most active hydrogenation catalyst, but the catalyst failed to produce unsaturated alcohols, indicating hydrogenation of the C=C bond was highly preferred over the C=O bond on Pd. The Pt and Ru catalysts were able to produce unsaturated alcohols from unsaturated aldehydes, but not from unsaturated ketones. Althoughmore » Au/ Fe₂O₃ was able to partially hydrogenate unsaturated ketones to unsaturated alcohols, the overall hydrogenation rate over gold was the lowest of all of the metals examined. First-principles density functional theory calculations were therefore used to explore the reactivity trends of methyl vinyl ketone (MVK) and benzalacetone (BA) hydrogenation over model Pt(111) and Ru(0001) surfaces. The observed selectivity over these metals is likely controlled by the significantly higher activation barriers to hydrogenate the C=O bond compared with those required to hydrogenate the C=C bond. Both the unsaturated alcohol and the saturated ketone, which are the primary reaction products, are strongly bound to Ru and can react further to the saturated alcohol. The lower calculated barriers for the hydrogenation steps over Pt compared with Ru account for the higher observed turnover frequencies for the hydrogenation of MVK and BA over Pt. The presence of a phenyl substituent α to the C=C bond in BA increased the barrier for C=C hydrogenation over those associated with the C=C bond in MVK; however, the increase in barriers with phenyl substitution was not adequate to reverse the selectivity trend.« less

Anatomic findings and complications after surgical treatment of chronic, partial distal biceps tendon tears: a case cohort comparison study.

PubMed

Ruch, David S; Watters, Tyler Steven; Wartinbee, Daniel A; Richard, Marc J; Leversedge, Fraser J; Mithani, Suhail K

2014-08-01

To describe pertinent anatomic findings during repair of chronic, partial distal biceps tendon tears and to compare the complications of surgery with a similar cohort of acute, complete tears. Group 1 included 14 patients (15 elbows) with partial tears managed operatively an average of 10 months from onset of injury or symptoms. Group 2 included a matched cohort of 16 patients (17 elbows) treated for complete, acute tears an average of 19 days from injury. A retrospective review of all 30 patients focused on demographic data, intraoperative findings, and postoperative complications. A single, anterior incision was used in all cases with multiple suture anchors or a bicortical toggling button for fixation of the repair. We evaluated 27 men and 3 women with an average age of 55 years (group 1) and 48 years (group 2). Intratendinous ganglion formation at the site of rupture of the degenerative tendon was observed in 5 cases of partial tears and none of the complete tears. Partial tears involved the lateral aspect or short head of the biceps tendon insertion in all cases. Postoperative complications included lateral antebrachial cutaneous nerve neuritis in 8 group 1 patients and 6 group 2 patients and transient posterior interosseus nerve palsy in 3 group 1 patients. Partial distal biceps tendon ruptures showed a consistent pattern of pathology involving disruption of the lateral side of the tendon insertion involving the small head of the biceps. Degenerative intratendinous ganglion formation was present in one third of cases. Repair of chronic, partial distal biceps tendon injuries may have a higher incidence of posterior interosseous and lateral antebrachial cutaneous nerve palsies. Therapeutic III. Copyright © 2014 American Society for Surgery of the Hand. Published by Elsevier Inc. All rights reserved.

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

NASA Astrophysics Data System (ADS)

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

2017-07-01

The characteristics of hydrogen adsorption on Li-doped defective graphene systems were investigated using density functional theory (DFT) calculations. Four types of defective structures were selected. Li atoms were well dispersed on the defective graphene without clustering, evidenced by the binding energy value between Li and defective graphene than that of Li-Lix. Additionally, as the amount of adsorbed H2 molecules increase, the H2 molecules show tilting configuration toward the Li adatom. This is beneficial for more hydrogen adsorption under the electrostatic interaction. On these four stable structures, there were up to three polarized H2 molecules adsorbed on per Li adatom, with the average hydrogen adsorption energy in the range of approximately 0.2-0.4 eV. These results provide new focus on the nature of Li-doped defective graphene with sometimes B substitution medium, which could be considered as a promising candidate for hydrogen storage.

Comparative analysis of hydrogen fire and explosion incidents: quarterly report No. 2, December 1, 1977--February 28, 1978

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

Zalosh, R.G.; Short, T.P.

1978-03-01

Additional hydrogen incident reports compiled during this quarter have increased the size of the computerized data base to a current total of 280 incidents. Listings of 165 incidents that have occurred in industrial and transportation operations since 1968 are presented here. Sample case histories in six different cause categories are provided together with a discussion of common safety problems contributing to these incidents. Some of these problems are inadequate detection measures for hydrogen leaks and fires and ineffective purging with inert gas. A preliminary comparison of losses due to natural gas fires/explosions and hydrogen incidents indicates that hydrogen explosions havemore » been, on the average, four-to-six times as damaging as natural gas explosions. Some tentative explanations for this result are presented but await confirmation from a more sophisticated statistical analysis.« less

Hydrogenation of GaSb/GaAs quantum rings

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

Hodgson, P. D., E-mail: pdhodgson@hotmail.co.uk; Hayne, M.; Zhuang, Q. D.

2014-08-25

We present the results of photoluminescence measurements on hydrogenated type-II GaSb/GaAs quantum dot/ring (QD/QR) samples at temperatures ranging from 4.2 K to 400 K. Hydrogenation is found to suppress optically induced charge depletion (associated with the presence of carbon acceptors in this system). A redshift of the QD\\QR emission energy of a few tens of meV is observed at temperatures ≥300 K, consistent with a reduction in average occupancy by ∼1 hole. These effects are accompanied by a reduction in PL intensity post-hydrogenation. We conclude that although hydrogenation may have neutralized the carbon acceptors, multiple hole occupancy of type-II GaSb/GaAs QD/QRs is verymore » likely a precondition for intense emission, which would make extending the wavelength significantly beyond 1300 nm at room temperature difficult.« less

The Strength of Hydrogen Bonds between Fluoro-Organics and Alcohols, a Theoretical Study.

PubMed

Rosenberg, Robert E

2018-05-10

Fluorinated organic compounds are ubiquitous in the pharmaceutical and agricultural industries. To better discern the mode of action of these compounds, it is critical to understand the strengths of hydrogen bonds involving fluorine. There are only a few published examples of the strengths of these bonds. This study provides a high level ab initio study of inter- and intramolecular hydrogen bonds between RF and R'OH, where R and R' are aryl, vinyl, alkyl, and cycloalkyl. Intermolecular binding energies average near 5 kcal/mol, while intramolecular binding energies average about 3 kcal/mol. Inclusion of zero-point energies and applying a counterpoise correction lessen the difference. In both series, modest increases in binding energies are seen with increased acidity of R'OH and increased electron donation of R in RF. In the intramolecular compounds, binding energy increases with the rigidity of the F-(C) n -OH ring. Inclusion of free energy corrections at 298 K results in exoergic binding energies for the intramolecular compounds and endoergic binding energies for the intermolecular compounds. Parameters such as bond lengths, vibrational frequencies, and atomic populations are consistent with formation of a hydrogen bond and with slightly stronger binding in the intermolecular cases over the intramolecular cases. However, these parameters correlated poorly with binding energies.

The hybrid RANS/LES of partially premixed supersonic combustion using G/Z flamelet model

NASA Astrophysics Data System (ADS)

Wu, Jinshui; Wang, Zhenguo; Bai, Xuesong; Sun, Mingbo; Wang, Hongbo

2016-10-01

In order to describe partially premixed supersonic combustion numerically, G/Z flamelet model is developed and compared with finite rate model in hybrid RANS/LES simulation to study the strut-injection supersonic combustion flow field designed by the German Aerospace Center. A new temperature calculation method based on time-splitting method of total energy is introduced in G/Z flamelet model. Simulation results show that temperature predictions in partially premixed zone by G/Z flamelet model are more consistent with experiment than finite rate model. It is worth mentioning that low temperature reaction zone behind the strut is well reproduced. Other quantities such as average velocity and average velocity fluctuation obtained by developed G/Z flamelet model are also in good agreement with experiment. Besides, simulation results by G/Z flamelet also reveal the mechanism of partially premixed supersonic combustion by the analyses of the interaction between turbulent burning velocity and flow field.

The X-ray spectrum and spectral energy distribution of FIRST J155633.8+351758: a LoBAL quasar with a probable polar outflow

NASA Astrophysics Data System (ADS)

Berrington, Robert C.; Brotherton, Michael S.; Gallagher, Sarah C.; Ganguly, Rajib; Shang, Zhaohui; DiPompeo, Michael; Chatterjee, Ritaban; Lacy, Mark; Gregg, Michael D.; Hall, Patrick B.; Laurent-Muehleisen, S. A.

2013-12-01

We report the results of a new 60 ks Chandra X-ray Observatory Advanced CCD Imaging Spectrometer S-array (ACIS-S) observation of the reddened, radio-selected, highly polarized `FeLoBAL' quasar FIRST J1556+3517. We investigated a number of models of varied sophistication to fit the 531-photon spectrum. These models ranged from simple power laws to power laws absorbed by hydrogen gas in differing ionization states and degrees of partial covering. Preferred fits indicate that the intrinsic X-ray flux is consistent with that expected for quasars of similarly high luminosity, i.e. an intrinsic, dereddened and unabsorbed optical to X-ray spectral index of -1.7. We cannot tightly constrain the intrinsic X-ray power-law slope, but find indications that it is flat (photon index Γ = 1.7 or flatter at a >99 per cent confidence for a neutral hydrogen absorber model). Absorption is present, with a column density a few times 1023 cm-2, with both partially ionized models and partially covering neutral hydrogen models providing good fits. We present several lines of argument that suggest the fraction of X-ray emissions associated with the radio jet is not large. We combine our Chandra data with observations from the literature to construct the spectral energy distribution of FIRST J1556+3517 from radio to X-ray energies. We make corrections for Doppler beaming for the pole-on radio jet, optical dust reddening and X-ray absorption, in order to recover a probable intrinsic spectrum. The quasar FIRST J1556+3517 seems to be an intrinsically normal radio-quiet quasar with a reddened optical/UV spectrum, a Doppler-boosted but intrinsically weak radio jet and an X-ray absorber not dissimilar from that of other broad absorption line quasars.

Study of the dynamics of the MoO2-Mo2C system for catalytic partial oxidation reactions

NASA Astrophysics Data System (ADS)

Cuba Torres, Christian Martin

On a global scale, the energy demand is largely supplied by the combustion of non-renewable fossil fuels. However, their rapid depletion coupled with environmental and sustainability concerns are the main drivers to seek for alternative energetic strategies. To this end, the sustainable generation of hydrogen from renewable resources such as biodiesel would represent an attractive alternative solution to fossil fuels. Furthermore, hydrogen's lower environmental impact and greater independence from foreign control make it a strong contender for solving this global problem. Among a wide variety of methods for hydrogen production, the catalytic partial oxidation offers numerous advantages for compact and mobile fuel processing systems. For this reaction, the present work explores the versatility of the Mo--O--C catalytic system under different synthesis methods and reforming conditions using methyl oleate as a surrogate biodiesel. MoO2 exhibits good catalytic activity and exhibits high coke-resistance even under reforming conditions where long-chain oxygenated compounds are prone to form coke. Moreover, the lattice oxygen present in MoO2 promotes the Mars-Van Krevelen mechanism. Also, it is introduced a novel beta-Mo2C synthesis by the in-situ formation method that does not utilize external H2 inputs. Herein, the MoO 2/Mo2C system maintains high catalytic activity for partial oxidation while the lattice oxygen serves as a carbon buffer for preventing coke formation. This unique feature allows for longer operation reforming times despite slightly lower catalytic activity compared to the catalysts prepared by the traditional temperature-programmed reaction method. Moreover, it is demonstrated by a pulse reaction technique that during the phase transformation of MoO2 to beta-Mo2C, the formation of Mo metal as an intermediate is not responsible for the sintering of the material wrongly assumed by the temperature-programmed method.

Electron capture in collisions of S4+ with atomic hydrogen

NASA Astrophysics Data System (ADS)

Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.

2001-06-01

Charge transfer processes due to collisions of ground state S4+(3s2 1S) ions with atomic hydrogen are investigated for energies between 1 meV u-1 and 10 MeV u-1 using the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially stripped S3+ excited classical states. Hydrogen target isotope effects are explored and rate coefficients for temperatures between 100 and 106 K are also presented.

Spectators Control Selectivity in Surface Chemistry: Acrolein Partial Hydrogenation Over Pd

PubMed Central

2015-01-01

We present a mechanistic study on selective hydrogenation of acrolein over model Pd surfaces—both single crystal Pd(111) and Pd nanoparticles supported on a model oxide support. We show for the first time that selective hydrogenation of the C=O bond in acrolein to form an unsaturated alcohol is possible over Pd(111) with nearly 100% selectivity. However, this process requires a very distinct modification of the Pd(111) surface with an overlayer of oxopropyl spectator species that are formed from acrolein during the initial stages of reaction and turn the metal surface selective toward propenol formation. By applying pulsed multimolecular beam experiments and in situ infrared reflection–absorption spectroscopy, we identified the chemical nature of the spectator and the reactive surface intermediate (propenoxy species) and experimentally followed the simultaneous evolution of the reactive intermediate on the surface and formation of the product in the gas phase. PMID:26481220

Partial oxidation of methane (POM) assisted solid oxide co-electrolysis

DOEpatents

Chen, Fanglin; Wang, Yao

2017-02-21

Methods for simultaneous syngas generation by opposite sides of a solid oxide co-electrolysis cell are provided. The method can comprise exposing a cathode side of the solid oxide co-electrolysis cell to a cathode-side feed stream; supplying electricity to the solid oxide co-electrolysis cell such that the cathode side produces a product stream comprising hydrogen gas and carbon monoxide gas while supplying oxygen ions to an anode side of the solid oxide co-electrolysis cell; and exposing the anode side of the solid oxide co-electrolysis cell to an anode-side feed stream. The cathode-side feed stream comprises water and carbon dioxide, and the anode-side feed stream comprises methane gas such that the methane gas reacts with the oxygen ions to produce hydrogen and carbon monoxide. The cathode-side feed stream can further comprise nitrogen, hydrogen, or a mixture thereof.

Combustion of hydrogen injected into a supersonic airstream (a guide to the HISS computer program)

NASA Technical Reports Server (NTRS)

Dyer, D. F.; Maples, G.; Spalding, D. B.

1976-01-01

A computer program based on a finite-difference, implicit numerical integration scheme is described for the prediction of hydrogen injected into a supersonic airstream at an angle ranging from normal to parallel to the airstream main flow direction. Results of calculations for flow and thermal property distributions were compared with 'cold flow data' taken by NASA/Langley and show excellent correlation. Typical results for equilibrium combustion are presented and exhibit qualitatively plausible behavior. Computer time required for a given case is approximately one minute on a CDC 7600. A discussion of the assumption of parabolic flow in the injection region is given which demonstrates that improvement in calculation in this region could be obtained by a partially-parabolic procedure which has been developed. It is concluded that the technique described provides an efficient and reliable means for analyzing hydrogen injection into supersonic airstreams and the subsequent combustion.

Analysis performance of proton exchange membrane fuel cell (PEMFC)

NASA Astrophysics Data System (ADS)

Mubin, A. N. A.; Bahrom, M. H.; Azri, M.; Ibrahim, Z.; Rahim, N. A.; Raihan, S. R. S.

2017-06-01

Recently, the proton exchange membrane fuel cell (PEMFC) has gained much attention to the technology of renewable energy due to its mechanically ideal and zero emission power source. PEMFC performance reflects from the surroundings such as temperature and pressure. This paper presents an analysis of the performance of the PEMFC by developing the mathematical thermodynamic modelling using Matlab/Simulink. Apart from that, the differential equation of the thermodynamic model of the PEMFC is used to explain the contribution of heat to the performance of the output voltage of the PEMFC. On the other hand, the partial pressure equation of the hydrogen is included in the PEMFC mathematical modeling to study the PEMFC voltage behaviour related to the input variable input hydrogen pressure. The efficiency of the model is 33.8% which calculated by applying the energy conversion device equations on the thermal efficiency. PEMFC’s voltage output performance is increased by increasing the hydrogen input pressure and temperature.

Interpretation of plasma impurity deposition probes. Analytic approximation

NASA Astrophysics Data System (ADS)

Stangeby, P. C.

1987-10-01

Insertion of a probe into the plasma induces a high speed flow of the hydrogenic plasma to the probe which, by friction, accelerates the impurity ions to velocities approaching the hydrogenic ion acoustic speed, i.e., higher than the impurity ion thermal speed. A simple analytic theory based on this effect provides a relation between impurity fluxes to the probe Γimp and the undisturbed impurity ion density nimp, with the hydrogenic temperature and density as input parameters. Probe size also influences the collection process and large probes are found to attract a higher flux density than small probes in the same plasma. The quantity actually measured, cimp, the impurity atom surface density (m-2) net-deposited on the probe, is related to Γimp and thus to nimp by taking into account the partial removal of deposited material caused by sputtering and the redeposition process.

Catalytic two-stage coal liquefaction process having improved nitrogen removal

DOEpatents

Comolli, Alfred G.

1991-01-01

A process for catalytic multi-stage hydrogenation and liquefaction of coal to produce high yields of low-boiling hydrocarbon liquids containing low concentrations of nitogen compounds. First stage catalytic reaction conditions are 700.degree.-800.degree. F. temperature, 1500-3500 psig hydrogen partial pressure, with the space velocity maintained in a critical range of 10-40 lb coal/hr ft.sup.3 catalyst settled volume. The first stage catalyst has 0.3-1.2 cc/gm total pore volume with at least 25% of the pore volume in pores having diameters of 200-2000 Angstroms. Second stage reaction conditions are 760.degree.-870.degree. F. temperature with space velocity exceeding that in the first stage reactor, so as to achieve increased hydrogenation yield of low-boiling hydrocarbon liquid products having at least 75% removal of nitrogen compounds from the coal-derived liquid products.

Mechanism of α-ketol-type rearrangement of benzoin derivatives under basic conditions.

PubMed

Karino, Masahiro; Kubouchi, Daiki; Hamaoka, Kazuki; Umeyama, Shintaro; Yamataka, Hiroshi

2013-07-19

The mechanism of base-catalyzed rearrangement of ring-substituted benzoins in aqueous methanol was examined by kinetic and product analyses. Substituent effects on the rate and equilibrium constants revealed that the kinetic process has a different electron demand compared to the equilibrium process. Reactions in deuterated solvents showed that the rate of H/D exchange of the α-hydrogen is similar to the overall rate toward the equilibrium state. A proton-inventory experiment using partially deuterated solvents showed a linear dependence of the rate on the deuterium fraction of the solvent, indicating that only one deuterium isotope effect contributes to the overall rate process. All these results point to a mechanism in which the rearrangement is initiated by the rate-determining α-hydrogen abstraction rather than a mechanism with initial hydroxyl hydrogen abstraction as in the general α-ketol rearrangement.

Fuels processing for transportation fuel cell systems

NASA Astrophysics Data System (ADS)

Kumar, R.; Ahmed, S.

Fuel cells primarily use hydrogen as the fuel. This hydrogen must be produced from other fuels such as natural gas or methanol. The fuel processor requirements are affected by the fuel to be converted, the type of fuel cell to be supplied, and the fuel cell application. The conventional fuel processing technology has been reexamined to determine how it must be adapted for use in demanding applications such as transportation. The two major fuel conversion processes are steam reforming and partial oxidation reforming. The former is established practice for stationary applications; the latter offers certain advantages for mobile systems and is presently in various stages of development. This paper discusses these fuel processing technologies and the more recent developments for fuel cell systems used in transportation. The need for new materials in fuels processing, particularly in the area of reforming catalysis and hydrogen purification, is discussed.

Fuel processing requirements and techniques for fuel cell propulsion power

NASA Astrophysics Data System (ADS)

Kumar, R.; Ahmed, S.; Yu, M.

Fuels for fuel cells in transportation systems are likely to be methanol, natural gas, hydrogen, propane, or ethanol. Fuels other than hydrogen will need to be reformed to hydrogen on-board the vehicle. The fuel reformer must meet stringent requirements for weight and volume, product quality, and transient operation. It must be compact and lightweight, must produce low levels of CO and other byproducts, and must have rapid start-up and good dynamic response. Catalytic steam reforming, catalytic or noncatalytic partial oxidation reforming, or some combination of these processes may be used. This paper discusses salient features of the different kinds of reformers and describes the catalysts and processes being examined for the oxidation reforming of methanol and the steam reforming of ethanol. Effective catalysts and reaction conditions for the former have been identified; promising catalysts and reaction conditions for the latter are being investigated.

Modeling evolution of hydrogen bonding and stabilization of transition states in the process of cocaine hydrolysis catalyzed by human butyrylcholinesterase.

PubMed

Gao, Daquan; Zhan, Chang-Guo

2006-01-01

Molecular dynamics (MD) simulations and quantum mechanical/molecular mechanical (QM/MM) calculations were performed on the prereactive enzyme-substrate complex, transition states, intermediates, and product involved in the process of human butyrylcholinesterase (BChE)-catalyzed hydrolysis of (-)-cocaine. The computational results consistently reveal a unique role of the oxyanion hole (consisting of G116, G117, and A199) in BChE-catalyzed hydrolysis of cocaine, compared to acetylcholinesterase (AChE)-catalyzed hydrolysis of acetylcholine. During BChE-catalyzed hydrolysis of cocaine, only G117 has a hydrogen bond with the carbonyl oxygen (O31) of the cocaine benzoyl ester in the prereactive BChE-cocaine complex, and the NH groups of G117 and A199 are hydrogen-bonded with O31 of cocaine in all of the transition states and intermediates. Surprisingly, the NH hydrogen of G116 forms an unexpected hydrogen bond with the carboxyl group of E197 side chain and, therefore, is not available to form a hydrogen bond with O31 of cocaine in the acylation. The NH hydrogen of G116 is only partially available to form a weak hydrogen bond with O31 of cocaine in some structures involved in the deacylation. The change of the estimated hydrogen-bonding energy between the oxyanion hole and O31 of cocaine during the reaction process demonstrates how the protein environment can affect the energy barrier for each step of the BChE-catalyzed hydrolysis of cocaine. These insights concerning the effects of the oxyanion hole on the energy barriers provide valuable clues on how to rationally design BChE mutants with a higher catalytic activity for the hydrolysis of (-)-cocaine. 2005 Wiley-Liss, Inc.

Modeling Evolution of Hydrogen Bonding and Stabilization of Transition States in the Process of Cocaine Hydrolysis Catalyzed by Human Butyrylcholinesterase

PubMed Central

Gao, Daquan; Zhan, Chang-Guo

2010-01-01

Molecular dynamics (MD) simulations and quantum mechanical/molecular mechanical (QM/MM) calculations were performed on the prereactive enzyme-substrate complex, transition states, intermediates, and product involved in the process of human butyrylcholinesterase (BChE)-catalyzed hydrolysis of (−)-cocaine. The computational results consistently reveal a unique role of the oxyanion hole (consisting of G116, G117, and A199) in BChE-catalyzed hydrolysis of cocaine, as compared to acetylcholinesterase (AChE)-catalyzed hydrolysis of acetylcholine. During BChE-catalyzed hydrolysis of cocaine, only G117 has a hydrogen bond with the carbonyl oxygen (O31) of the cocaine benzoyl ester in the prereactive BChE-cocaine complex, and the NH groups of G117 and A199 are hydrogen-bonded with O31 of cocaine in all of the transition states and intermediates. Surprisingly, the NH hydrogen of G116 forms an unexpected hydrogen bond with the carboxyl group of E197 side chain and, therefore, is not available to form a hydrogen bond with O31 of cocaine in the acylation. The NH hydrogen of G116 is only partially available to form a weak hydrogen bond with O31 of cocaine in some structures involved in the deacylation. The change of the estimated hydrogen bonding energy between the oxyanion hole and O31 of cocaine during the reaction process demonstrates how the protein environment can affect the energy barrier for each step of the BChE-catalyzed hydrolysis of cocaine. These insights concerning the effects of the oxyanion hole on the energy barriers provide valuable clues on how to rationally design BChE mutants with a higher catalytic activity for the hydrolysis of (−)-cocaine. PMID:16288482

Fast detection and low power hydrogen sensor using edge-oriented vertically aligned 3-D network of MoS2 flakes at room temperature

NASA Astrophysics Data System (ADS)

Agrawal, A. V.; Kumar, R.; Venkatesan, S.; Zakhidov, A.; Zhu, Z.; Bao, Jiming; Kumar, Mahesh; Kumar, Mukesh

2017-08-01

The increased usage of hydrogen as a next generation clean fuel strongly demands the parallel development of room temperature and low power hydrogen sensors for their safety operation. In this work, we report strong evidence for preferential hydrogen adsorption at edge-sites in an edge oriented vertically aligned 3-D network of MoS2 flakes at room temperature. The vertically aligned edge-oriented MoS2 flakes were synthesised by a modified CVD process on a SiO2/Si substrate and confirmed by Scanning Electron Microscopy. Raman spectroscopy and PL spectroscopy reveal the signature of few-layer MoS2 flakes in the sample. The sensor's performance was tested from room temperature to 150 °C for 1% hydrogen concentration. The device shows a fast response of 14.3 s even at room temperature. The sensitivity of the device strongly depends on temperature and increases from ˜1% to ˜11% as temperature increases. A detail hydrogen sensing mechanism was proposed based on the preferential hydrogen adsorption at MoS2 edge sites. The proposed gas sensing mechanism was verified by depositing ˜2-3 nm of ZnO on top of the MoS2 flakes that partially passivated the edge sites. We found a decrease in the relative response of MoS2-ZnO hybrid structures. This study provides a strong experimental evidence for the role of MoS2 edge-sites in the fast hydrogen sensing and a step closer towards room temperature, low power (0.3 mW), hydrogen sensor development.

Secondary Electron Emission Spectroscopy of Diamond Surfaces

NASA Technical Reports Server (NTRS)

Krainsky, Isay L.; Asnin, Vladimir M.; Petukhov, Andre G.

1999-01-01

This report presents the results of the secondary electron emission spectroscopy study of hydrogenated diamond surfaces for single crystals and chemical vapor-deposited polycrystalline films. One-electron calculations of Auger spectra of diamond surfaces having various hydrogen coverages are presented, the major features of the experimental spectra are explained, and a theoretical model for Auger spectra of hydrogenated diamond surfaces is proposed. An energy shift and a change in the line shape of the carbon core-valence-valence (KVV) Auger spectra were observed for diamond surfaces after exposure to an electron beam or by annealing at temperatures higher than 950 C. This change is related to the redistribution of the valence-band local density of states caused by hydrogen desorption from the surface. A strong negative electron affinity (NEA) effect, which appeared as a large, narrow peak in the low-energy portion of the spectrum of the secondary electron energy distribution, was also observed on the diamond surfaces. A fine structure in this peak, which was found for the first time, reflected the energy structure of the bottom of the conduction band. Further, the breakup of the bulk excitons at the surface during secondary electron emission was attributed to one of the features of this structure. The study demonstrated that the NEA type depends on the extent of hydrogen coverage of the diamond surface, changing from the true type for the completely hydrogenated surface to the effective type for the partially hydrogenated surface.

Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H 2 O) n , n = 8, 20 and 24

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

Iwata, Suehiro; Akase, Dai; Aida, Misako

2016-01-01

The relative stability and the characteristics of the hydrogen bond networks in the cubic cages of (H2O)8, dodecahedral cages of (H2O)20,and tetrakaidodecahedral cages of (H2O)24 are studied. The charge-transfer and dispersion interaction terms of every pair of the hydrogen bonds are evaluated by using the perturbation theory based on the locally-projected molecular orbital (LPMO PT). Every water molecule and every hydrogen-bonded pair in polyhedral clusters are classified by the types of the adjacent molecules and hydrogen bonds. The relative binding energies among the polyhedral clusters are grouped by these classifications. The necessary condition for the stable conformers and the rulesmore » of the ordering of the relative stability among the isomers are derived from the analysis. The O–O distances and the pair-wise charge-transfer terms are dependent not only on the types of the hydrogen donor and acceptor waters but also on the types of the adjacent waters. This dependence is analyzed with Mulliken’s charge-transfer theory. The work is partially supported by the Grant-in-Aid for Science Research of JSPS (SI, DA, MA). SSX was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Battelle operates the Pacific Northwest National Laboratory for the US Department of Energy.« less

Behavior of implanted hydrogen in thermally stimulated blistering in silicon

NASA Astrophysics Data System (ADS)

Aleksandrov, P. A.; Baranova, E. K.; Baranova, I. V.; Budaragin, V. V.; Litvinov, V. L.

2003-11-01

The processes of accumulation of ion implanted hydrogen in blisters in silicon and its release during the thermal treatment from 350 to 1020degreesC have been studied by optical techniques. It was established that accumulation of gaseous hydrogen inside blisters takes place at temperatures lower than similar to450-500degreesC and is accompanied by the growth of blister thickness and deformation of their caps. At higher temperatures the gaseous hydrogen goes out of the cavities dissolving in silicon. Due to the internal pressure dropping the elastically deformed top layer partially relaxes and the blister thickness decreases. Etching of the surface layer reveals the agglomerations of small voids (<0.3 mm) located in the place of blisters approximately at their depth. Proceeding from the fact that the processes in blistering are similar to those in ion cut, the following conclusions with respect to the latter were drawn. The exfoliation processes themselves occur at temperatures lower than similar to500degreesC. The exfoliation efficiency particularly at the higher temperatures is essentially dependent on the heating rate.

Evaluation of hydrogen production and internal resistance in forward osmosis membrane integrated microbial electrolysis cells.

PubMed

Lee, Mi-Young; Kim, Kyoung-Yeol; Yang, Euntae; Kim, In S

2015-01-01

In order to enhance hydrogen production by facilitated proton transport through a forward osmosis (FO) membrane, the FO membrane was integrated into microbial electrolysis cells (MECs). An improved hydrogen production rate was obtained in the FO-MEC (12.5±1.84×10(-3)m(3)H2/m(3)/d) compared to that of the cation exchange membrane (CEM) - MEC (4.42±0.04×10(-3)m(3)H2/m(3)/d) during batch tests (72h). After an internal resistance analysis, it was confirmed that the enhanced hydrogen production in FO-MEC was attributed to the smaller charge transfer resistance than in the CEM-MEC (90.3Ω and 133.4Ω respectively). The calculation of partial internal resistance concluded that the transport resistance can be substantially reduced by replacing a CEM with a FO membrane; decrease of the resistance from 0.069Ωm(2) to 5.99×10(-4)Ωm(2). Copyright © 2015 Elsevier Ltd. All rights reserved.

Onboard fuel reformers for fuel cell vehicles: Equilibrium, kinetic and system modeling

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

Kreutz, T.G.; Steinbugler, M.M.; Ogden, J.M.

1996-12-31

On-board reforming of liquid fuels to hydrogen for use in proton exchange membrane (PEM) fuel cell electric vehicles (FCEVs) has been the subject of numerous investigations. In many respects, liquid fuels represent a more attractive method of carrying hydrogen than compressed hydrogen itself, promising greater vehicle range, shorter refilling times, increased safety, and perhaps most importantly, utilization of the current fuel distribution infrastructure. The drawbacks of on-board reformers include their inherent complexity [for example a POX reactor includes: a fuel vaporizer, a reformer, water-gas shift reactors, a preferential oxidation (PROX) unit for CO cleanup, heat exchangers for thermal integration, sensorsmore » and controls, etc.], weight, and expense relative to compressed H{sub 2}, as well as degraded fuel cell performance due to the presence of inert gases and impurities in the reformate. Partial oxidation (POX) of automotive fuels is another alternative for hydrogen production. This paper provides an analysis of POX reformers and a fuel economy comparison of vehicles powered by on-board POX and SRM fuel processors.« less

Natural gas-assisted steam electrolyzer

DOEpatents

Pham, Ai-Quoc; Wallman, P. Henrik; Glass, Robert S.

2000-01-01

An efficient method of producing hydrogen by high temperature steam electrolysis that will lower the electricity consumption to an estimated 65 percent lower than has been achievable with previous steam electrolyzer systems. This is accomplished with a natural gas-assisted steam electrolyzer, which significantly reduces the electricity consumption. Since this natural gas-assisted steam electrolyzer replaces one unit of electrical energy by one unit of energy content in natural gas at one-quarter the cost, the hydrogen production cost will be significantly reduced. Also, it is possible to vary the ratio between the electricity and the natural gas supplied to the system in response to fluctuations in relative prices for these two energy sources. In one approach an appropriate catalyst on the anode side of the electrolyzer will promote the partial oxidation of natural gas to CO and hydrogen, called Syn-Gas, and the CO can also be shifted to CO.sub.2 to give additional hydrogen. In another approach the natural gas is used in the anode side of the electrolyzer to burn out the oxygen resulting from electrolysis, thus reducing or eliminating the potential difference across the electrolyzer membrane.

Calcium looping process for high purity hydrogen production integrated with capture of carbon dioxide, sulfur and halides

DOEpatents

Ramkumar, Shwetha; Fan, Liang-Shih

2013-07-30

A process for producing hydrogen comprising the steps of: (i) gasifying a fuel into a raw synthesis gas comprising CO, hydrogen, steam, sulfur and halide contaminants in the form of H.sub.2S, COS, and HX, wherein X is a halide; (ii) passing the raw synthesis gas through a water gas shift reactor (WGSR) into which CaO and steam are injected, the CaO reacting with the shifted gas to remove CO.sub.2, sulfur and halides in a solid-phase calcium-containing product comprising CaCO.sub.3, CaS and CaX.sub.2; (iii) separating the solid-phase calcium-containing product from an enriched gaseous hydrogen product; and (iv) regenerating the CaO by calcining the solid-phase calcium-containing product at a condition selected from the group consisting of: in the presence of steam, in the presence of CO.sub.2, in the presence of synthesis gas, in the presence of H.sub.2 and O.sub.2, under partial vacuum, and combinations thereof.

Modelling of hydrogen conditioning, retention and release in Tore Supra

NASA Astrophysics Data System (ADS)

Grisolia, C.; Horton, L. D.; Ehrenberg, J. K.

1995-04-01

A model based on a local mixing model has been previously developed at JET to explain the recovery of tritium after the first PTE experiment. This model is extended by a 0D plasma particle balance model and is applied to data from Tore Supra wall saturation experiments. With only two free parameters, representing the diffusion of hydrogen atoms and the volume recombination process between hydrogen atoms into molecules, the model can reproduce experimental data. The time evolution of the after-shot outgassing and the integral amount of particles recovered after the shot (assuming 13 m 2 of interacting surfaces between plasma and walls) are in good agreement with the experimental observations. The same set of parameters allows the model to simulate after-shot outgassing of five consecutive discharges. However, the model fails to predict the observed saturation of the walls by the plasma. Results from helium glow discharge (HeGD) can only be partially described. Good agreement with the experimental hydrogen release and its time evolution during HeGD is observed, but the model fails to describe the stability of a saturated graphite wall.

Efficient epoxidation of a terminal alkene containing allylic hydrogen atoms: trans-methylstyrene on Cu{111}.

PubMed

Cropley, Rachael L; Williams, Federico J; Urquhart, Andrew J; Vaughan, Owain P H; Tikhov, Mintcho S; Lambert, Richard M

2005-04-27

The selective oxidation of trans-methylstyrene, a phenyl-substituted propene that contains labile allylic hydrogen atoms, has been studied on Cu{111}. Mass spectrometry and synchrotron fast XPS were used to detect, respectively, desorbing gaseous products and the evolution of surface species as a function of temperature and time. Efficient partial oxidation occurs yielding principally the epoxide, and the behavior of the system is sensitive to the order in which reactants are adsorbed. The latter is understandable in terms of differences in the spatial distribution of oxygen adatoms; isolated adatoms lead to epoxidation, while islands of "oxidic" oxygen do not. NEXAFS data taken over a range of coverages and in the presence and absence of coadsorbed oxygen indicate that the adsorbed alkene lies essentially flat with the allylic hydrogen atoms close to the surface. The photoemission results and comparison with the corresponding behavior of styrene on Cu{111} strongly suggest that allylic hydrogen abstraction is indeed a critical factor that limits epoxidation selectivity. An overall mechanism consistent with the structural and reactive properties is proposed.

Writing with ring currents: selectively hydrogenated polycyclic aromatics as finite models of graphene and graphane

PubMed Central

Fowler, Patrick W.; Gibson, Christopher M.; Bean, David E.

2014-01-01

Alternating partial hydrogenation of the interior region of a polycyclic aromatic hydrocarbon gives a finite model system representing systems on the pathway from graphene to the graphane modification of the graphene sheet. Calculations at the DFT and coupled Hartree–Fock levels confirm that sp2 cycles of bare carbon centres isolated by selective hydrogenation retain the essentially planar geometry and electron delocalization of the annulene that they mimic. Delocalization is diagnosed by the presence of ring currents, as detected by ipsocentric calculation and visualization of the current density induced in the π system by a perpendicular external magnetic field. These induced ‘ring’ currents have essentially the same sense, strength and orbital origin as in the free hydrocarbon. Subjected to the important experimental proviso of the need for atomic-scale control of hydrogenation, this finding predicts the possibility of writing single, multiple and concentric diatropic and/or paratropic ring currents on the graphene/graphane sheet. The implication is that pathways for free flow of ballistic current can be modelled in the same way. PMID:24611026

The Los ALamos Neutron Science Center Hydrogen Moderator System

NASA Astrophysics Data System (ADS)

Jarmer, J. J.; Knudson, J. N.

2006-04-01

At the Los Alamos Neutron Science Center (LANSCE), spallation neutrons are produced by an 800-MeV proton beam interacting with tungsten targets. Gun-barrel-type penetrations through the heavy concrete and steel shielding that surround the targets collimate neutrons to form neutron beams used for scattering experiments. Two liquid hydrogen moderators of one-liter volume each are positioned adjacent to the neutron-production targets. Some of the neutrons that pass through a moderator interact with or scatter from protons in the hydrogen. The neutron-proton interaction reduces the energy or moderates neutrons to lower energies. Lower energy "moderated" neutrons are the most useful for some neutron scattering experiments. We provide a description of the LANSCE hydrogen-moderator system and its cryogenic performance with proton beams of up to 125 micro-amp average current.

Evidence for the Presence of Hn-PAHs in Post AGB Stars

NASA Technical Reports Server (NTRS)

Materese, Christopher K.; Bregman, Jesse D.; Sandford, Scott A.

2017-01-01

Polycyclic aromatic hydrocarbons (PAHs) are believed to be ubiquitous in space therefore represent an important class of molecules for the field of astrochemistry. PAHs are relatively stable under interstellar conditions, account for a significant fraction of the known Universe's molecular carbon inventory, and are believed responsible for numerous telltale interstellar infrared emission bands. PAHs can be subdivided into numerous classes, one of which is Hydrogenated PAHs (Hn-PAHs). Hn-PAHs are multi-ringed partially aromatic compounds with excess hydrogenation, leading to a partial disruption of the aromatic system. The infrared spectra of these compounds produce telltale signatures that make them distinct from ordinary aromatic or aliphatic molecules (or a mixture of both). Hn-PAHs may be an important subclass of PAHs that could explain the spectra of some astronomical objects with anomalously large 3.4 micron features. The 3.4 micron feature observed in these objects may be associated with the aliphatic C-H stretching vibrations of the excess hydrogen. If this presumption is correct, we also expect to observe methylene scissoring modes at 6.9 microns. We have recently conducted a series of follow-up observations to compliment our laboratory experiments into the properties of Hn-PAHs. Here we present our laboratory and observational results in support of the hypothesis that Hn-PAHs are a viable candidate molecule as the emission source for numerous post-asymptotic giant branch objects with abnormally large 3.4 micron features.

Catalytic partial oxidation reforming of hydrocarbon fuels.

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

Ahmed, S.

1998-09-21

The polymer electrolyte fuel cell (PEFC) is the primary candidate as the power source for light-duty transportation systems. On-board conversion of fuels (reforming) to supply the required hydrogen has the potential to provide the driving range that is typical of today's automobiles. Petroleum-derived fuels, gasoline or some distillate similar to it, are attractive because of their existing production, distribution, and retailing infrastructure. The fuel may be either petroleum-derived or other alternative fuels such as methanol, ethanol, natural gas, etc. [1]. The ability to use a variety of fuels is also attractive for stationary distributed power generation [2], such as inmore » buildings, or for portable power in remote locations. Argonne National Laboratory has developed a catalytic reactor based on partial oxidation reforming that is suitable for use in light-duty vehicles powered by fuel cells. The reactor has shown the ability to convert a wide variety of fuels to a hydrogen-rich gas at less than 800 C, temperatures that are several hundreds of degrees lower than alternative noncatalytic processes. The fuel may be methanol, ethanol, natural gas, or petroleum-derived fuels that are blends of various hydrocarbons such as paraffins, olefins, aromatics, etc., as in gasoline. This paper will discuss the results obtained from a bench-scale (3-kWe) reactor., where the reforming of gasoline and natural gas generated a product gas that contained 38% and 42% hydrogen on a dry basis at the reformer exit, respectively.« less

Implication of the solvent effect, metal ions and topology in the electronic structure and hydrogen bonding of human telomeric G-quadruplex DNA.

PubMed

Poudel, Lokendra; Steinmetz, Nicole F; French, Roger H; Parsegian, V Adrian; Podgornik, Rudolf; Ching, Wai-Yim

2016-08-03

We present a first-principles density functional study elucidating the effects of solvent, metal ions and topology on the electronic structure and hydrogen bonding of 12 well-designed three dimensional G-quadruplex (G4-DNA) models in different environments. Our study shows that the parallel strand structures are more stable in dry environments and aqueous solutions containing K(+) ions within the tetrad of guanine but conversely, that the anti-parallel structure is more stable in solutions containing the Na(+) ions within the tetrad of guanine. The presence of metal ions within the tetrad of the guanine channel always enhances the stability of the G4-DNA models. The parallel strand structures have larger HOMO-LUMO gaps than antiparallel structures, which are in the range of 0.98 eV to 3.11 eV. Partial charge calculations show that sugar and alkali ions are positively charged whereas nucleobases, PO4 groups and water molecules are all negatively charged. Partial charges on each functional group with different signs and magnitudes contribute differently to the electrostatic interactions involving G4-DNA and favor the parallel structure. A comparative study between specific pairs of different G4-DNA models shows that the Hoogsteen OH and NH hydrogen bonds in the guanine tetrad are significantly influenced by the presence of metal ions and water molecules, collectively affecting the structure and the stability of G4-DNA.

Thermodynamical properties of La-Ni-T (T = Mg, Bi and Sb) hydrogen storage systems

NASA Astrophysics Data System (ADS)

Giza, K.; Iwasieczko, W.; Pavlyuk, V. V.; Bala, H.; Drulis, H.

The hydrogen absorption properties of LaNi 4.8T 0.2 (T = Mg, Bi and Sb) alloys are reported. The effects of the substitution of Ni in the LaNi 5 compound with Mg, Bi and Sb are investigated. The ability of alloys to absorb hydrogen is characterized by the pressure-composition (p- c) isotherms. The p- c isotherms allow the determining thermodynamic parameters enthalpy (Δ H des) and entropy (Δ S des) of the dehydrogenation processes. The calculated Δ H des and Δ S des data helps to explain the decrease of hydrogen equilibrium pressure in alloys doped with Al, Mg and Bi and its increase in the Sb-doped LaNi 5 compound. Generally, partial substitution of Ni in LaNi 5 compound with Mg, Bi and Sb cause insignificant changes of hydrogen storage capacity compared to the hydrogen content in the initial LaNi 5H 6 hydride phase. However, it is worth to stress that, in the case of LaNi 4.8Bi 0.2, a small increase of H/f.u. up to 6.8 is observed. The obtained results in these investigations indicate that the LaNi 4.8T 0.2 (T = Al, Mg and Bi) alloys can be very attractive materials dedicated for negative electrodes in Ni/MH batteries.

Flotation process for removal of precipitates from electrochemical chromate reduction unit

DOEpatents

DeMonbrun, James R.; Schmitt, Charles R.; Williams, Everett H.

1976-01-01

This invention is an improved form of a conventional electrochemical process for removing hexavalent chromium or other metal-ion contaminants from cooling-tower blowdown water. In the conventional process, the contaminant is reduced and precipitated at an iron anode, thus forming a mixed precipitate of iron and chromium hydroxides, while hydrogen being evolved copiously at a cathode is vented from the electrochemical cell. In the conventional process, subsequent separation of the fine precipitate has proved to be difficult and inefficient. In accordance with this invention, the electrochemical operation is conducted in a novel manner permitting a much more efficient and less expensive precipitate-recovery operation. That is, the electrochemical operation is conducted under an evolved-hydrogen partial pressure exceeding atmospheric pressure. As a result, most of the evolved hydrogen is entrained as bubbles in the blowdown in the cell. The resulting hydrogen-rich blowdown is introduced to a vented chamber, where the entrained hydrogen combines with the precipitate to form a froth which can be separated by conventional techniques. In addition to the hydrogen, two materials present in most blowdown act as flotation promoters for the precipitate. These are (1) air, with which the blowdown water becomes saturated in the course of normal cooling-tower operation, and (2) surfactants which commonly are added to cooling-tower recirculating-water systems to inhibit the growth of certain organisms or prevent the deposition of insoluble particulates.

Catalysis beyond frontier molecular orbitals: Selectivity in partial hydrogenation of multi-unsaturated hydrocarbons on metal catalysts

PubMed Central

Liu, Wei; Jiang, Yingda; Dostert, Karl-Heinz; O’Brien, Casey P.; Riedel, Wiebke; Savara, Aditya; Schauermann, Swetlana; Tkatchenko, Alexandre

2017-01-01

The mechanistic understanding and control over transformations of multi-unsaturated hydrocarbons on transition metal surfaces remains one of the major challenges of hydrogenation catalysis. To reveal the microscopic origins of hydrogenation chemoselectivity, we performed a comprehensive theoretical investigation on the reactivity of two α,β-unsaturated carbonyls—isophorone and acrolein—on seven (111) metal surfaces: Pd, Pt, Rh, Ir, Cu, Ag, and Au. In doing so, we uncover a general mechanism that goes beyond the celebrated frontier molecular orbital theory, rationalizing the C═C bond activation in isophorone and acrolein as a result of significant surface-induced broadening of high-energy inner molecular orbitals. By extending our calculations to hydrogen-precovered surface and higher adsorbate surface coverage, we further confirm the validity of the “inner orbital broadening mechanism” under realistic catalytic conditions. The proposed mechanism is fully supported by our experimental reaction studies for isophorone and acrolein over Pd nanoparticles terminated with (111) facets. Although the position of the frontier molecular orbitals in these molecules, which are commonly considered to be responsible for chemical interactions, suggests preferential hydrogenation of the C═O double bond, experiments show that hydrogenation occurs at the C═C bond on Pd catalysts. The extent of broadening of inner molecular orbitals might be used as a guiding principle to predict the chemoselectivity for a wide class of catalytic reactions at metal surfaces. PMID:28782033

Continuous catalytic hydrogenation of polyaromatic hydrocarbon compounds in hydrogen-supercritical carbon dioxide.

PubMed

Yuan, Tao; Fournier, Anick R; Proudlock, Raymond; Marshall, William D

2007-03-15

A continuous hydrogenation device was evaluated for the detoxification of selected tri-, tetra-, or pentacyclic polyaromatic hydrocarbon (PAH) compounds {anthracene, phenanthrene, chrysene, and benzo[a]pyrene (B[a]P)} by hydrogenation. A substrate stream in hexane, 0.05-1.0% (w/v), was mixed with hydrogen-carbon dioxide (H2-CO2, 5-30% v/v) and delivered to a heated reactor column (25 cm x 1 cm) containing palladium supported on gamma alumina (Pd0/gamma-Al2O3) that was terminated with a capillary restrictor. The flow rate from the reactor, approximately 800 mL min(-1) decompressed gas, corresponded to 4 mL min(-1) fluid under the operating conditions of the trials. Reaction products were recovered by passing the reactor effluent through hexane. At 90 degrees C, the anthracene or phenanthrene substrate was hydrogenated only partially to octahydro and dodecahydro species and contained only a minor quantity of totally hydrogenated products. For substrates with increasing numbers of fused aromatic rings, the hydrogenation efficiency was decreased further. However, at an increasing temperature (90-150 degrees C) and increasing mobile phase flow rate (20.68 MPa corresponding to 2100 mL min(-1) decompressed gas), B[a]P and chrysene were hydrogenated, virtuallytotally, to their corresponding perhydro analogues (eicosahydrobenzo[a]pyrenes and octadecahydrochrysenes), respectively. That this approach might be useful for decontaminating soil extracts was supported by companion in vitro trials in which the substrate and products were assayed for mutagenic activity with five bacterial strains that are auxotrophic for histidine (Salmonella typhimurium TA98, TA100, TA1535, and TA1537) or tryptophan (Escherichia coliWP2 uvrA), using the bacterial reverse mutation assay (modified Ames test). Generally, substantial increases in revertant colony counts were not observed with any of the strains following exposure to the hydrogenation products in the absence or presence of the 10 or 30% S9 mix, which is consistent with the loss of mutagenic activity from these hydrogenation products.

HBonanza: A Computer Algorithm for Molecular-Dynamics-Trajectory Hydrogen-Bond Analysis

PubMed Central

Durrant, Jacob D.; McCammon, J. Andrew

2011-01-01

In the current work, we present a hydrogen-bond analysis of 2,673 ligand-receptor complexes that suggests the total number of hydrogen bonds formed between a ligand and its protein receptor is a poor predictor of ligand potency; furthermore, even that poor prediction does not suggest a statistically significant correlation between hydrogen-bond formation and potency. While we are not the first to suggest that hydrogen bonds on average do not generally contribute to ligand binding affinities, this additional evidence is nevertheless interesting. The primary role of hydrogen bonds may instead be to ensure specificity, to correctly position the ligand within the active site, and to hold the protein active site in a ligand-friendly conformation. We also present a new computer program called HBonanza (hydrogen-bond analyzer) that aids the analysis and visualization of hydrogen-bond networks. HBonanza, which can be used to analyze single structures or the many structures of a molecular dynamics trajectory, is open source and python implemented, making it easily editable, customizable, and platform independent. Unlike many other freely available hydrogen-bond analysis tools, HBonanza provides not only a text-based table describing the hydrogen-bond network, but also a Tcl script to facilitate visualization in VMD, a popular molecular visualization program. Visualization in other programs is also possible. A copy of HBonanza can be obtained free of charge from http://www.nbcr.net/hbonanza. PMID:21880522

Estimation of selected streamflow statistics for a network of low-flow partial-record stations in areas affected by Base Realignment and Closure (BRAC) in Maryland

USGS Publications Warehouse

Ries, Kernell G.; Eng, Ken

2010-01-01

The U.S. Geological Survey, in cooperation with the Maryland Department of the Environment, operated a network of 20 low-flow partial-record stations during 2008 in a region that extends from southwest of Baltimore to the northeastern corner of Maryland to obtain estimates of selected streamflow statistics at the station locations. The study area is expected to face a substantial influx of new residents and businesses as a result of military and civilian personnel transfers associated with the Federal Base Realignment and Closure Act of 2005. The estimated streamflow statistics, which include monthly 85-percent duration flows, the 10-year recurrence-interval minimum base flow, and the 7-day, 10-year low flow, are needed to provide a better understanding of the availability of water resources in the area to be affected by base-realignment activities. Streamflow measurements collected for this study at the low-flow partial-record stations and measurements collected previously for 8 of the 20 stations were related to concurrent daily flows at nearby index streamgages to estimate the streamflow statistics. Three methods were used to estimate the streamflow statistics and two methods were used to select the index streamgages. Of the three methods used to estimate the streamflow statistics, two of them--the Moments and MOVE1 methods--rely on correlating the streamflow measurements at the low-flow partial-record stations with concurrent streamflows at nearby, hydrologically similar index streamgages to determine the estimates. These methods, recommended for use by the U.S. Geological Survey, generally require about 10 streamflow measurements at the low-flow partial-record station. The third method transfers the streamflow statistics from the index streamgage to the partial-record station based on the average of the ratios of the measured streamflows at the partial-record station to the concurrent streamflows at the index streamgage. This method can be used with as few as one pair of streamflow measurements made on a single streamflow recession at the low-flow partial-record station, although additional pairs of measurements will increase the accuracy of the estimates. Errors associated with the two correlation methods generally were lower than the errors associated with the flow-ratio method, but the advantages of the flow-ratio method are that it can produce reasonably accurate estimates from streamflow measurements much faster and at lower cost than estimates obtained using the correlation methods. The two index-streamgage selection methods were (1) selection based on the highest correlation coefficient between the low-flow partial-record station and the index streamgages, and (2) selection based on Euclidean distance, where the Euclidean distance was computed as a function of geographic proximity and the basin characteristics: drainage area, percentage of forested area, percentage of impervious area, and the base-flow recession time constant, t. Method 1 generally selected index streamgages that were significantly closer to the low-flow partial-record stations than method 2. The errors associated with the estimated streamflow statistics generally were lower for method 1 than for method 2, but the differences were not statistically significant. The flow-ratio method for estimating streamflow statistics at low-flow partial-record stations was shown to be independent from the two correlation-based estimation methods. As a result, final estimates were determined for eight low-flow partial-record stations by weighting estimates from the flow-ratio method with estimates from one of the two correlation methods according to the respective variances of the estimates. Average standard errors of estimate for the final estimates ranged from 90.0 to 7.0 percent, with an average value of 26.5 percent. Average standard errors of estimate for the weighted estimates were, on average, 4.3 percent less than the best average standard errors of estima

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

Anderson, Brian B.; Kirkegaard, Marie C.; Miskowiec, Andrew J.

Uranyl fluoride (UO 2F 2) is a hygroscopic powder with two main structural phases: an anhydrous crystal and a partially hydrated crystal of the same R¯3m symmetry. The formally closed-shell electron structure of anhydrous UO 2F 2 is amenable to density functional theory calculations. We use density functional perturbation theory (DFPT) to calculate the vibrational frequencies of the anhydrous crystal structure and employ complementary inelastic neutron scattering and temperature-dependent Raman scattering to validate those frequencies. As a model closed-shell actinide, we investigated the effect of LDA, GGA, and non-local vdW functionals as well as the spherically-averaged Hubbard +U correction onmore » vibrational frequencies, electronic structure, and geometry of anhydrous UO 2F 2. A particular choice of U eff = 5.5 eV yields the correct U Oyl bond distance and vibrational frequencies for the characteristic Eg and A1g modes that are within the resolution of experiment. Inelastic neutron scattering and Raman scattering suggest a degree of water coupling to the lattice vibrations in the more experimentally accessible partially hydrated UO 2F 2 system, with the symmetric O-U-O stretching vibration shifted approximately 47 cm -1 lower in energy compared to the anhydrous structure. Evidence of water interaction with the uranyl ion is present from a two-peak decomposition of the uranyl stretching vibration in the Raman spectra and anion hydrogen stretching vibrations in the inelastic neutron scattering spectra. A first-order dehydration phase transition temperature is definitively identified to be 125 °C using temperature-dependent Raman scattering.« less

Clinical experience with image-guided radiotherapy in an accelerated partial breast intensity-modulated radiotherapy protocol.

PubMed

Leonard, Charles E; Tallhamer, Michael; Johnson, Tim; Hunter, Kari; Howell, Kathryn; Kercher, Jane; Widener, Jodi; Kaske, Terese; Paul, Devchand; Sedlacek, Scot; Carter, Dennis L

2010-02-01

To explore the feasibility of fiducial markers for the use of image-guided radiotherapy (IGRT) in an accelerated partial breast intensity modulated radiotherapy protocol. Nineteen patients consented to an institutional review board approved protocol of accelerated partial breast intensity-modulated radiotherapy with fiducial marker placement and treatment with IGRT. Patients (1 patient with bilateral breast cancer; 20 total breasts) underwent ultrasound guided implantation of three 1.2- x 3-mm gold markers placed around the surgical cavity. For each patient, table shifts (inferior/superior, right/left lateral, and anterior/posterior) and minimum, maximum, mean error with standard deviation were recorded for each of the 10 BID treatments. The dose contribution of daily orthogonal films was also examined. All IGRT patients underwent successful marker placement. In all, 200 IGRT treatment sessions were performed. The average vector displacement was 4 mm (range, 2-7 mm). The average superior/inferior shift was 2 mm (range, 0-5 mm), the average lateral shift was 2 mm (range, 1-4 mm), and the average anterior/posterior shift was 3 mm (range, 1 5 mm). This study shows that the use of IGRT can be successfully used in an accelerated partial breast intensity-modulated radiotherapy protocol. The authors believe that this technique has increased daily treatment accuracy and permitted reduction in the margin added to the clinical target volume to form the planning target volume. Copyright 2010 Elsevier Inc. All rights reserved.

Surface morphology and grain analysis of successively industrially grown amorphous hydrogenated carbon films (a-C:H) on silicon

NASA Astrophysics Data System (ADS)

Catena, Alberto; McJunkin, Thomas; Agnello, Simonpietro; Gelardi, Franco M.; Wehner, Stefan; Fischer, Christian B.

2015-08-01

Silicon (1 0 0) has been gradually covered by amorphous hydrogenated carbon (a-C:H) films via an industrial process. Two types of these diamond-like carbon (DLC) coatings, one more flexible (f-DLC) and one more robust (r-DLC), have been investigated. Both types have been grown by a radio frequency plasma-enhanced chemical vapor deposition (RF-PECVD) technique with acetylene plasma. Surface morphologies have been studied in detail by atomic force microscopy (AFM) and Raman spectroscopy has been used to investigate the DLC structure. Both types appeared to have very similar morphology and sp2 carbon arrangement. The average height and area for single grains have been analyzed for all depositions. A random distribution of grain heights was found for both types. The individual grain structures between the f- and r-type revealed differences: the shape for the f-DLC grains is steeper than for the r-DLC grains. By correlating the average grain heights to the average grain areas for all depositions a limited region is identified, suggesting a certain regularity during the DLC deposition mechanisms that confines both values. A growth of the sp2 carbon entities for high r-DLC depositions is revealed and connected to a structural rearrangement of carbon atom hybridizations and hydrogen content in the DLC structure.

On the Relationship between Solar Wind Speed, Earthward-Directed Coronal Mass Ejections, Geomagnetic Activity, and the Sunspot Cycle Using 12-Month Moving Averages

NASA Technical Reports Server (NTRS)

Wilson, Robert M.; Hathaway, David H.

2008-01-01

For 1996 .2006 (cycle 23), 12-month moving averages of the aa geomagnetic index strongly correlate (r = 0.92) with 12-month moving averages of solar wind speed, and 12-month moving averages of the number of coronal mass ejections (CMEs) (halo and partial halo events) strongly correlate (r = 0.87) with 12-month moving averages of sunspot number. In particular, the minimum (15.8, September/October 1997) and maximum (38.0, August 2003) values of the aa geomagnetic index occur simultaneously with the minimum (376 km/s) and maximum (547 km/s) solar wind speeds, both being strongly correlated with the following recurrent component (due to high-speed streams). The large peak of aa geomagnetic activity in cycle 23, the largest on record, spans the interval late 2002 to mid 2004 and is associated with a decreased number of halo and partial halo CMEs, whereas the smaller secondary peak of early 2005 seems to be associated with a slight rebound in the number of halo and partial halo CMEs. Based on the observed aaM during the declining portion of cycle 23, RM for cycle 24 is predicted to be larger than average, being about 168+/-60 (the 90% prediction interval), whereas based on the expected aam for cycle 24 (greater than or equal to 14.6), RM for cycle 24 should measure greater than or equal to 118+/-30, yielding an overlap of about 128+/-20.

Vaccenic acid and trans fatty acid isomers from partially hydrogenated oil both adversely affect LDL cholesterol: a double-blind, randomized controlled trial

USDA-ARS?s Scientific Manuscript database

Evidence of the adverse effects of industrially-produced trans fatty acids (iTFA) on risk of cardiovascular disease is consistent and well documented in the scientific literature; however, the cardiovascular effects of naturally-occurring TFA synthesized in ruminant animals (rTFA), such as vaccenic ...

What do we really know about the health effects of natural sources of trans fatty acids?

USDA-ARS?s Scientific Manuscript database

While the food industry remains actively engaged in the development of alternatives for partially hydrogenated vegetable oils in order to reduce intake of trans fatty acids, intake of these fatty acids from natural sources remains as a small part of our diet. The question remains, are there differ...

20 CFR 617.12 - Evidence of qualification.

Code of Federal Regulations, 2010 CFR

2010-04-01

... qualifying requirements in § 617.11; (2) The individual's average weekly wage; and (3) For an individual claiming to be partially separated, the average weekly hours and average weekly wage in adversely affected... records, income tax returns, or statements of fellow workers, and shall be verified by the employer. (d...

Bridging the Gap: From Model Surfaces to Nanoparticle Analogs for Selective Oxidation and Steam Reforming of Methanol and Selective Hydrogenation Catalysis

NASA Astrophysics Data System (ADS)

Boucher, Matthew B.

Most industrial catalysts are very complex, comprising of non-uniform materials with varying structures, impurities, and interaction between the active metal and supporting substrate. A large portion of the ongoing research in heterogeneous catalysis focuses on understanding structure-function relationships in catalytic materials. In parallel, there is a large area of surface science research focused on studying model catalytic systems for which structural parameters can be tuned and measured with high precision. It is commonly argued, however, that these systems are oversimplified, and that observations made in model systems do not translate to robust catalysts operating in practical environments; this discontinuity is often referred to as a "gap." The focus of this thesis is to explore the mutual benefits of surface science and catalysis, or "bridge the gap," by studying two catalytic systems in both ultra-high vacuum (UHV) and near ambient-environments. The first reaction is the catalytic steam reforming of methanol (SRM) to hydrogen and carbon dioxide. The SRM reaction is a promising route for on-demand hydrogen production. For this catalytic system, the central hypothesis in this thesis is that a balance between redox capability and weak binding of reaction intermediates is necessary for high SRM activity and selectivity to carbon dioxide. As such, a new catalyst for the SRM reaction is developed which incorporates very small amounts of gold (<1 atomic %) supported on zinc oxide nanoparticles with controlled crystal structures. The performance of these catalysts was studied in a fixed-bed micro-reactor system at ambient pressures, and their structure was characterized by high-resolution microscopic and spectroscopic techniques. Pre-existing oxygen defects in zinc oxide {0001} surfaces, and those created by a perturbation of the defect equilibrium by addition of gold, provide an anchoring site for highly dispersed gold species. By utilizing shape control of zinc oxide supports, it is found that highly dispersed gold, capable of low-temperature redox behavior is most prominent on zinc oxide {0001} surfaces and leads to high SRM activity and selectivity to carbon dioxide. Like other Group IB metal catalysts the SRM over gold-zinc oxide proceeds through the formation and weak binding of formaldehyde, and subsequent coupling with methoxy to produce methyl formate. Mechanistic clarification of this point was achieved by studying the interaction methanol-water mixtures with model catalyst surfaces. Model catalysts were studied in a UHV chamber where the base pressure was maintained at 10-10 mbar. High resolutions surface science techniques show that hydrogen-bonded networks of water are capable of deprotonating methanol to methoxy on low index surfaces in the absence of atomic oxygen. These UHV studies show that adsorbates, other than oxygen, are capable of activating methanol on Group IB metal surfaces. The second reaction involves the selective hydrogenation of alkynes to alkenes. Selective hydrogenations of carbon-carbon multiple bonds are important for a wide range of industrial processes. The governing hypothesis for this reaction system is that cooperation between a minority metal with a low barrier for hydrogen dissociation, and a less-reactive host metal capable of hydrogen uptake via spillover will lead to high alkene selectivity. A strategy for the preparation of such a catalyst is developed using model catalyst studied in a UHV chamber. The model catalyst features isolated palladium atoms in a copper(111) surface, termed single atom alloy (SAA). Individual, isolated palladium atoms act as sites for hydrogen uptake, dissociation, and spillover onto an otherwise inert copper(111) host. Weak binding offered by copper provides a surface where selective hydrogenation reactions can take place. Palladium-copper SAA model catalysts are highly selective to the partial hydrogenation of acetylene, whereas surfaces containing larger palladium ensembles facilitate complete hydrogenation and decomposition. Nanoparticle analogs of palladium-copper SAAs were prepared to investigate the feasibility of this strategy for practical application. Very small amounts of palladium (<0.2 atomic %) on the surface of copper nanoparticles are highly active and selective catalysts for the partial hydrogenation of phenylacetylene to styrene. The performance of these catalysts was studied in a liquid-phase, stirred-tank batch reactor under a hydrogen head pressure of approximately 7 bar. Palladium alloyed into the surface of otherwise inactive copper nanoparticles shows a marked improvement in selectivity when compared to monometallic palladium catalysts with the same metal loading. This effect is attributed hydrogen spillover onto the copper surface. In summary, the development of new, highly active and selective catalysts for the methanol steam reforming reaction and for the partial hydrogenation of alkynes to alkenes was accomplished by the use of state-of-the-art techniques in both surface science and heterogeneous catalysis. The implications of this work can be extended to a wide variety of catalytic systems.

Calculated Properties of Fully Hydrogenated Single Layers of BN, BC2N, and Graphene: Graphane and Its BN-Containing Analogues

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

Averill, Frank; Morris, James R; Cooper, Valentino R

2009-01-01

Carbon is an attractive material for hydrogen adsorption, due to its light weight, variety of structures, and ability to both physisorb and chemisorb hydrogen. Recently, fully hydrogenated graphene layers ( graphane ) have been predicted to exist [J.O. Sofo et al., Phys. Rev. B 75, 15340 (2007)], and experimentally observed [D.C. Elias et al., Science 323, 610 (2009)]. In this work, we examine analogues of graphane, in particular BNH2 and BC2NH4. Unlike graphene, these materials have a band gap without hydrogenation. Our results indicate that the hydrogenation product of BN is metastable: the fully hydrogenated compound BNH2 is higher inmore » energy than hexagonal BN sheets plus H2 molecules, in sharp contrast with graphane. We find that BC2NH4 is energetically very close to hexagonal BC2N+2H2 molecules. Furthermore our examination of the relative binding strengths of rows of symmetry related hydrogen atoms on BC2NH4shows that this compound is marginally higher in energy than BC2NH2 plus an H2 molecule, with the hydrogen atoms in BC2NH2 absorbed on the carbon sites. These remaining hydrogen atoms are not as strongly bound as in graphane, indicating that the average hydrogen chemisorption energy is controllable by changing the carbon content in the B-C-N layer.« less

39 CFR 3010.22 - Calculation of annual limitation when notices of rate adjustment are less than 12 months apart.

Code of Federal Regulations, 2014 CFR

2014-07-01

... dividing the sum by 12 (Recent Average). The partial year limitation is then calculated by dividing the Recent Average by the Recent Average from the most recent previous notice of rate adjustment (Previous Recent Average) applicable to each affected class of mail and subtracting 1 from the quotient. The result...

Biomass hydrolysis inhibition at high hydrogen partial pressure in solid-state anaerobic digestion.

PubMed

Cazier, E A; Trably, E; Steyer, J P; Escudie, R

2015-08-01

In solid-state anaerobic digestion, so-called ss-AD, biogas production is inhibited at high total solids contents. Such inhibition is likely caused by a slow diffusion of dissolved reaction intermediates that locally accumulate. In this study, we investigated the effect of H2 and CO2 partial pressure on ss-AD. Partial pressure of H2 and/or CO2 was artificially fixed, from 0 to 1 557mbars for H2 and from 0 to 427mbars for CO2. High partial pressure of H2 showed a significant effect on methanogenesis, while CO2 had no impact. At high [Formula: see text] , the overall substrate degradation decreased with no accumulation of metabolites from acidogenic bacteria, indicating that the hydrolytic activity was specifically impacted. Interestingly, such inhibition did not occur when CO2 was added with H2. This result suggests that CO2 gas transfer is probably a key factor in ss-AD from biomass. Copyright © 2015 Elsevier Ltd. All rights reserved.

The CoRoT target HD 49933: a possible seismic signature of heavy elements ionization in the deep convective zone

NASA Astrophysics Data System (ADS)

Brito, Ana; Lopes, Ilídio

2017-04-01

We use a seismic diagnostic, based on the derivative of the phase shift of the acoustic waves reflected by the surface, to probe the outer layers of the star HD 49933. This diagnostic is particularly sensitive to partial ionization processes occurring above the base of the convective zone. The regions of partial ionization of light elements, hydrogen and helium, have well-known seismological signatures. In this work, we detect a different seismic signature in the acoustic frequencies, which we showed to correspond to the location where the partial ionization of heavy elements occurs. The location of the corresponding acoustic glitch lies between the region of the second ionization of helium and the base of the convective zone, approximately 5 per cent below the surface of the stars.

Calculation of the Full Scattering Amplitude without Partial Wave Decomposition II

NASA Technical Reports Server (NTRS)

Shertzer, J.; Temkin, A.

2003-01-01

As is well known, the full scattering amplitude can be expressed as an integral involving the complete scattering wave function. We have shown that the integral can be simplified and used in a practical way. Initial application to electron-hydrogen scattering without exchange was highly successful. The Schrodinger equation (SE) can be reduced to a 2d partial differential equation (pde), and was solved using the finite element method. We have now included exchange by solving the resultant SE, in the static exchange approximation. The resultant equation can be reduced to a pair of coupled pde's, to which the finite element method can still be applied. The resultant scattering amplitudes, both singlet and triplet, as a function of angle can be calculated for various energies. The results are in excellent agreement with converged partial wave results.

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

Evaluation of Environmentally Assisted Cracking of Armour Wires in Flexible Pipes, Power Cables and Umbilicals

NASA Astrophysics Data System (ADS)

Zhang, Zhiying

Environmentally assisted cracking (EAC) of armour wires in flexible pipes, power cables and umbilicals is a major concern with the development of oil and gas fields and wind farms in harsh environments. Hydrogen induced cracking (HIC) or hydrogen embrittlement (HE) of steel armour wires used in deep-water and ultra-deep-water has been evaluated. Simulated tests have been carried out in simulated sea water, under conditions where the susceptibility is the highest, i.e. at room temperature, at the maximum negative cathodic potential and at the maximum stress level expected in service for 150 hours. Examinations of the tested specimens have not revealed cracking or blistering, and measurement of hydrogen content has confirmed hydrogen charging. In addition, sulphide stress cracking (SSC) and chloride stress cracking (CSC) of nickel-based alloy armour wires used in harsh down-hole environments has been evaluated. Simulated tests have been carried out in simulated solution containing high concentration of chloride, with high hydrogen sulphide partial pressure, at high stress level and at 120 °C for 720 hours. Examinations of the tested specimens have not revealed cracking or blistering. Subsequent tensile tests of the tested specimens at ambient pressure and temperature have revealed properties similar to the as-received specimens.

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.

A retrospective assessment of partial cutting to reduce spruce beetle-caused mortality in the southern Rocky Mountains

Treesearch

E. Matthew Hansen; Jose F. Negron; A. Steven Munson; John A. Anhold

2010-01-01

Tree susceptibility to bark beetle-caused mortality has been linked to stand characteristics such as basal area (BA) and average tree size, factors that can be manipulated through partial cutting. There is no experimental evidence, however, demonstrating the efficacy of partial cutting in spruce type. Such experiments are very difficult to complete because of the...

Methods of refining natural oils, and methods of producing fuel compositions

DOEpatents

Firth, Bruce E.; Kirk, Sharon E.

2015-10-27

A method of refining a natural oil includes: (a) providing a feedstock that includes a natural oil; (b) reacting the feedstock in the presence of a metathesis catalyst to form a metathesized product that includes olefins and esters; (c) passivating residual metathesis catalyst with an agent that comprises nitric acid; (d) separating the olefins in the metathesized product from the esters in the metathesized product; and (e) transesterifying the esters in the presence of an alcohol to form a transesterified product and/or hydrogenating the olefins to form a fully or partially saturated hydrogenated product. Methods for suppressing isomerization of olefin metathesis products produced in a metathesis reaction, and methods of producing fuel compositions are described.

Feasibility Studies of Vortex Flow Impact On the Proliferation of Algae in Hydrogen Production for Fuel Cell Applications

NASA Astrophysics Data System (ADS)

Miskon, Azizi; A/L Thanakodi, Suresh; Shiema Moh Nazar, Nazatul; Kit Chong, Marcus Wai; Sobri Takriff, Mohd; Fakir Kamarudin, Kamrul; Aziz Norzali, Abdul; Nooraya Mohd Tawil, Siti

2016-11-01

The instability of crude oil price in global market as well as the sensitivity towards green energy increases, more research works being carried out to find alternative energy replacing the depleting of fossil fuels. Photobiological hydrogen production system using algae is one of the promising alternative energy source. However, the yield of hydrogen utilizing the current photobioreactor (PBR) is still low for commercial application due to restricted light penetration into the deeper regions of the reactor. Therefore, this paper studies the feasibility of vortex flow impact utilizing magnetic stirring in hydrogen production for fuel cell applications. For comparison of results, a magnetic stirrer is placed under a PBR of algae to stir the algae to obtain an even distribution of sunlight to the algae while the controlled PBR of algae kept in static. The produced hydrogen level was measured using hydrogen sensor circuit and the data collected were communicated to laptop using Arduino Uno. The results showed more cell counts and hydrogen produced in the PBR under the influence of magnetic stirring compared to static PBR by an average of 8 percent in 4 days.

Performance assessment of low pressure nuclear thermal propulsion

NASA Technical Reports Server (NTRS)

Gerrish, H. P., Jr.; Doughty, G. E.

1993-01-01

A low pressure nuclear thermal propulsion (LPNTP) system, which takes advantage of hydrogen dissociation/recombination, was proposed as a means of increasing engine specific impulse (Isp). The effect of hydrogen dissociation/recombination on LPNTP Isp is examined. A two-dimensional computer model was used to show that the optimum chamber pressure is approximately 100 psia (at a chamber temperature of 3,000 K), with an Isp approximately 15 s higher than at 1,000 psia. At high chamber temperatures and low chamber pressures, the increase in Isp is due to both lower average molecular weights caused by dissociation and added kinetic energy from monatomic hydrogen recombination. Monatomic hydrogen recombination increases the Isp more then hydrogen dissociation. Variations in the mole fraction of monatomic hydrogen are similar to variations in static pressure along the axial nozzle position. Most recombination occurs close to the nozzle throat. Practical variations in nozzle geometry have minimal impact on recombination. Other models which can simulate a wider range of nozzle designs should be used in the future. The uncertainty of the hydrogen kinetic reaction rates at high temperatures (approximately 3,000 K) affects the accuracy of the analysis and should be verified with simple bench tests.

Metal-functionalized silicene for efficient hydrogen storage.

PubMed

Hussain, Tanveer; Chakraborty, Sudip; Ahuja, Rajeev

2013-10-21

First-principles calculations based on density functional theory are used to investigate the electronic structure along with the stability, bonding mechanism, band gap, and charge transfer of metal-functionalized silicene to envisage its hydrogen-storage capacity. Various metal atoms including Li, Na, K, Be, Mg, and Ca are doped into the most stable configuration of silicene. The corresponding binding energies and charge-transfer mechanisms are discussed from the perspective of hydrogen-storage compatibility. The Li and Na metal dopants are found to be ideally suitable, not only for strong metal-to-substrate binding and uniform distribution over the substrate, but also for the high-capacity storage of hydrogen. The stabilities of both Li- and Na-functionalized silicene are also confirmed through molecular dynamics simulations. It is found that both of the alkali metals, Li(+) and Na(+), can adsorb five hydrogen molecules, attaining reasonably high storage capacities of 7.75 and 6.9 wt %, respectively, with average adsorption energies within the range suitable for practical hydrogen-storage applications. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electronic Structure Calculations of Hydrogen Storage in Lithium-Decorated Metal-Graphyne Framework.

PubMed

Kumar, Sandeep; Dhilip Kumar, Thogluva Janardhanan

2017-08-30

Porous metal-graphyne framework (MGF) made up of graphyne linker decorated with lithium has been investigated for hydrogen storage. Applying density functional theory spin-polarized generalized gradient approximation with the Perdew-Burke-Ernzerhof functional containing Grimme's diffusion parameter with double numeric polarization basis set, the structural stability, and physicochemical properties have been analyzed. Each linker binds two Li atoms over the surface of the graphyne linker forming MGF-Li 8 by Dewar coordination. On saturation with hydrogen, each Li atom physisorbs three H 2 molecules resulting in MGF-Li 8 -H 24 . H 2 and Li interact by charge polarization mechanism leading to elongation in average H-H bond length indicating physisorption. Sorption energy decreases gradually from ≈0.4 to 0.20 eV on H 2 loading. Molecular dynamics simulations and computed sorption energy range indicate the high reversibility of H 2 in the MGF-Li 8 framework with the hydrogen storage capacity of 6.4 wt %. The calculated thermodynamic practical hydrogen storage at room temperature makes the Li-decorated MGF system a promising hydrogen storage material.

Joint optimization of a partially coherent Gaussian beam for free-space optical communication over turbulent channels with pointing errors.

PubMed

Lee, It Ee; Ghassemlooy, Zabih; Ng, Wai Pang; Khalighi, Mohammad-Ali

2013-02-01

Joint beam width and spatial coherence length optimization is proposed to maximize the average capacity in partially coherent free-space optical links, under the combined effects of atmospheric turbulence and pointing errors. An optimization metric is introduced to enable feasible translation of the joint optimal transmitter beam parameters into an analogous level of divergence of the received optical beam. Results show that near-ideal average capacity is best achieved through the introduction of a larger receiver aperture and the joint optimization technique.

Increased Optoelectronic Quality and Uniformity of Hydrogenated p-InP Thin Films

DOE PAGES

Wang, Hsin -Ping; Sutter-Fella, Carolin M.; Lobaccaro, Peter; ...

2016-06-08

The thin-film vapor–liquid–solid (TF-VLS) growth technique presents a promising route for high quality, scalable, and cost-effective InP thin films for optoelectronic devices. Toward this goal, careful optimization of material properties and device performance is of utmost interest. Here, we show that exposure of polycrystalline Zn-doped TF-VLS InP to a hydrogen plasma (in the following referred to as hydrogenation) results in improved optoelectronic quality as well as lateral optoelectronic uniformity. A combination of low temperature photoluminescence and transient photocurrent spectroscopy was used to analyze the energy position and relative density of defect states before and after hydrogenation. Notably, hydrogenation reduces themore » relative intragap defect density by 1 order of magnitude. As a metric to monitor lateral optoelectronic uniformity of polycrystalline TF-VLS InP, photoluminescence and electron beam induced current mapping reveal homogenization of the grain versus grain boundary upon hydrogenation. At the device level, we measured more than 260 TF-VLS InP solar cells before and after hydrogenation to verify the improved optoelectronic properties. Hydrogenation increased the average open-circuit voltage (V OC) of individual TF-VLS InP solar cells by up to 130 mV and reduced the variance in V OC for the analyzed devices.« less

Market Correlation Structure Changes Around the Great Crash: A Random Matrix Theory Analysis of the Chinese Stock Market

NASA Astrophysics Data System (ADS)

Han, Rui-Qi; Xie, Wen-Jie; Xiong, Xiong; Zhang, Wei; Zhou, Wei-Xing

The correlation structure of a stock market contains important financial contents, which may change remarkably due to the occurrence of financial crisis. We perform a comparative analysis of the Chinese stock market around the occurrence of the 2008 crisis based on the random matrix analysis of high-frequency stock returns of 1228 Chinese stocks. Both raw correlation matrix and partial correlation matrix with respect to the market index in two time periods of one year are investigated. We find that the Chinese stocks have stronger average correlation and partial correlation in 2008 than in 2007 and the average partial correlation is significantly weaker than the average correlation in each period. Accordingly, the largest eigenvalue of the correlation matrix is remarkably greater than that of the partial correlation matrix in each period. Moreover, each largest eigenvalue and its eigenvector reflect an evident market effect, while other deviating eigenvalues do not. We find no evidence that deviating eigenvalues contain industrial sectorial information. Surprisingly, the eigenvectors of the second largest eigenvalues in 2007 and of the third largest eigenvalues in 2008 are able to distinguish the stocks from the two exchanges. We also find that the component magnitudes of the some largest eigenvectors are proportional to the stocks’ capitalizations.

40 CFR Table 2 to Subpart Dddd of... - Model Rule-Emission Limitations

Code of Federal Regulations, 2012 CFR

2012-07-01

... part) Hydrogen chloride 62 parts per million by dry volume 3-run average (1 hour minimum sample time...) Sulfur dioxide 20 parts per million by dry volume 3-run average (1 hour minimum sample time per run...-8) or ASTM D6784-02 (Reapproved 2008).c Opacity 10 percent Three 1-hour blocks consisting of ten 6...

Tensile properties of cast titanium alloys: Titanium-6Al-4V ELI and Titanium-5Al-2.5Sn ELI

NASA Technical Reports Server (NTRS)

Billinghurst, E. E., Jr.

1992-01-01

This work was performed to determine the tensile properties of cast, hot isostatic pressed (HIP'ed), and annealed titanium alloys, Ti-6Al-4V ELI and Ti-5Al-2.5Sn ELI, that are candidate materials for the space transportation main engine (STME) liquid hydrogen turbopump impeller. Samples of the cast alloys were HIP'ed, annealed, and machined into tensile specimens. The specimens were tested in air at ambient temperature (70 F) and also at -423 F in liquid hydrogen. The Ti-6Al-4V alloy had an average ultimate strength of 129.1 ksi at 70 F and 212.2 ksi at -423 F. The Ti-5Al-2.5Sn alloy had an average ultimate strength of 108.4 ksi at 70 degrees F and 185.0 ksi at -423 F. The ductility, as measured by reduction of area, for the Ti-6Al-4V averaged 15.2 percent at 70 F and 8.7 percent at -423 F, whereas for the Ti-5Al-2.5Sn alloy average reduction of area was 24.6 percent at 70 F and 11.7 percent at -423 F.

Mechanistic modeling of sulfur-deprived photosynthesis and hydrogen production in suspensions of Chlamydomonas reinhardtii

PubMed Central

Williams, C R; Bees, MA

2014-01-01

The ability of unicellular green algal species such as Chlamydomonas reinhardtii to produce hydrogen gas via iron-hydrogenase is well known. However, the oxygen-sensitive hydrogenase is closely linked to the photosynthetic chain in such a way that hydrogen and oxygen production need to be separated temporally for sustained photo-production. Under illumination, sulfur-deprivation has been shown to accommodate the production of hydrogen gas by partially-deactivating O2 evolution activity, leading to anaerobiosis in a sealed culture. As these facets are coupled, and the system complex, mathematical approaches potentially are of significant value since they may reveal improved or even optimal schemes for maximizing hydrogen production. Here, a mechanistic model of the system is constructed from consideration of the essential pathways and processes. The role of sulfur in photosynthesis (via PSII) and the storage and catabolism of endogenous substrate, and thus growth and decay of culture density, are explicitly modeled in order to describe and explore the complex interactions that lead to H2 production during sulfur-deprivation. As far as possible, functional forms and parameter values are determined or estimated from experimental data. The model is compared with published experimental studies and, encouragingly, qualitative agreement for trends in hydrogen yield and initiation time are found. It is then employed to probe optimal external sulfur and illumination conditions for hydrogen production, which are found to differ depending on whether a maximum yield of gas or initial production rate is required. The model constitutes a powerful theoretical tool for investigating novel sulfur cycling regimes that may ultimately be used to improve the commercial viability of hydrogen gas production from microorganisms. Biotechnol. Bioeng. 2014;111: 320–335. © 2013 The Authors. Biotechnology and Bioengineering Published by Wiley Periodicals, Inc. PMID:24026984

Mechanistic modeling of sulfur-deprived photosynthesis and hydrogen production in suspensions of Chlamydomonas reinhardtii.

PubMed

Williams, C R; Bees, M A

2014-02-01

The ability of unicellular green algal species such as Chlamydomonas reinhardtii to produce hydrogen gas via iron-hydrogenase is well known. However, the oxygen-sensitive hydrogenase is closely linked to the photosynthetic chain in such a way that hydrogen and oxygen production need to be separated temporally for sustained photo-production. Under illumination, sulfur-deprivation has been shown to accommodate the production of hydrogen gas by partially-deactivating O2 evolution activity, leading to anaerobiosis in a sealed culture. As these facets are coupled, and the system complex, mathematical approaches potentially are of significant value since they may reveal improved or even optimal schemes for maximizing hydrogen production. Here, a mechanistic model of the system is constructed from consideration of the essential pathways and processes. The role of sulfur in photosynthesis (via PSII) and the storage and catabolism of endogenous substrate, and thus growth and decay of culture density, are explicitly modeled in order to describe and explore the complex interactions that lead to H2 production during sulfur-deprivation. As far as possible, functional forms and parameter values are determined or estimated from experimental data. The model is compared with published experimental studies and, encouragingly, qualitative agreement for trends in hydrogen yield and initiation time are found. It is then employed to probe optimal external sulfur and illumination conditions for hydrogen production, which are found to differ depending on whether a maximum yield of gas or initial production rate is required. The model constitutes a powerful theoretical tool for investigating novel sulfur cycling regimes that may ultimately be used to improve the commercial viability of hydrogen gas production from microorganisms. © 2013 The Authors. Biotechnology and Bioengineering Published by Wiley Periodicals, Inc.

[Cleavage time for a hydrogen bond under a load].

PubMed

Bespalov, S V; Tolpygo, K B

1993-01-01

Statistics of the hydrogen bond formation and break in a bundle of actin and myosin filaments realizing the attractive force in the sarcomere of a muscle is studied. Purely mechanical problem of the attractive-force formation and motion of myosin heads and action globules under their action is supplemented by accounting for the irreversible processes: 1. Thermal de-excitation of the latter in the chain of hydrogen bond during the elementary act of the ATP energy use resulting in fixing the extended actin filament. 2. Break of the hydrogen bonds, realizing this fixing, due to thermal fluctuations for the time tau. The average life-time turns out to be the order of time necessary for the movement of z-membrane sarcomere for the value of action filament extension delta 1, which is necessary for the process of muscle contraction to be continued.

Intraparticle diffusion limitations in the hydrogenation of monounsaturated edible oils and their fatty acid methyl esters

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

Jonker, G.H.; Veldsink, J.W.; Beenackers, A.A.C.M.

1998-12-01

Intraparticle diffusion limitation in the hydrogenation and isomerization of fatty acid methyl esters (FAMEs) and edible oils (triacylglycerol, TAG) in porous nickel catalyst was investigated both under reactive and under inert conditions. Under reactive conditions, the diffusion coefficients were determined from the best fits of the model simulations applying the intrinsic reacting kinetics of monounsaturated FAME hydrogenation to experiments under diffusion limited conditions. Due to the absence of reaction (hydrogenation of double bonds), the obtained effective H{sub z} diffusion coefficient (D{sub e}) with the HPLC technique is volume averaged and thereby determined by the larger intercrystalline pores (<30% of themore » total pore volume) only. Moreover, D{sub e} measured under reaction conditions reflected the influence of the micropores, resulting in a 10-fold lower value.« less

Spatial imaging of hydrogen Lyman-alpha emission from Jupiter

NASA Technical Reports Server (NTRS)

Clarke, J. T.; Weaver, H. A.; Feldman, P. D.; Moos, H. W.; Fastie, W. G.; Opal, C. B.

1980-01-01

A sounding rocket measurement of the H I L-alpha emission from Jupiter made on Dec. 1, 1978 shows limb darkening and an average disk brightness of 13 kR. This brightness is significantly higher than in previous measurements, and was confirmed by an IUE observation on Dec. 10, 1978. Comparison with a plane-parallel hydrogen layer model indicates that there is enhanced emission from the equatorial regions, reaching a peak near 80 deg longitude.

Tables of branching ratios for electric dipole transitions between arbitrary levels of hydrogen-like atoms

NASA Technical Reports Server (NTRS)

Omidvar, K.

1977-01-01

The branching ratios in hydrogen-like atoms due to the electric-dipole transitions are tabulated for the initial principal and azimuthal quantum numbers n prime l prime, and final principal and azimuthal quantum numbers n l. Average values with respect to l prime are given. The branching ratios not tabulated, including the initial states n prime yields infinity l prime corresponding to the threshold of the continuum, could be obtained by extrapolation.

Application of gallium nitride nanostructures and nitrogen doped carbon spheres as supports for the hydrogenation of cinnamaldehyde.

PubMed

Kente, Thobeka; Dube, Sibongile M A; Coville, Neil J; Mhlanga, Sabelo D

2013-07-01

This paper reports on the synthesis and use of nanostructures of gallium nitride (GaN NSs) and nitrogen doped carbon spheres (NCSs) as support materials for the hydrogenation of cinnamaldehyde. This study provides the first investigation of GaN as a catalyst support in hydrogenation reactions. The GaN NSs were synthesized via chemical vapour deposition (CVD) in a double stage furnace (750 degrees C) while NCSs were made by CVD in a single stage furnace (950 degrees C) respectively. TEM analysis revealed that the GaN NSs were rod-like with average diameters of 200 nm, while the NCSs were solid with smoother surfaces, and with diameters of 450 nm. Pd nanoparticles (1 and 3% loadings) were uniformly dispersed on acid functionalized GaN NSs and NCS. The Pd nanoparticles had average diameters that were influenced by the type of support material used. The GaN NSs and NCSs were tested for the selective hydrogenation of cinnamaldehyde in isopropanol at 40 and 60 degrees C under atmospheric pressure. A comparative study of the activity of the nanostructured materials revealed that the order of catalyst activity was 3% Pd/GaN > 3% Pd/NCSs > 1% Pd/NCSs > 1% Pd/GaN. However, 100% selectivity to hydrocinnamaldehyde (HCALD) was obtained with 1% Pd/GaN at reasonable conversion rates.

Investigating Elevated Concentrations of Hydrogen in the LAX region

NASA Astrophysics Data System (ADS)

Rund, P.; Hughes, S.; Blake, D. R.

2017-12-01

The growing interest in hydrogen (H2) fuel cell vehicles has created a need to study the atmospheric H2 budget. While there is resounding agreement that hydrogen would escape into the atmosphere due to fuel transport/storage processes, there is disagreement over the amount that would be leaked in a hydrogen fuel economy. Leakage rate estimates range from 2% to 10% for total hydrogen production and transport. A hydrogen based energy infrastructure seems a viable clean alternative to oil because, theoretically, the only waste products are H2O and heat. However, hydrogen leads to the formation of water vapor, polar stratospheric clouds, and a decrease in stratospheric temperatures, which contribute to the depletion of stratospheric ozone. Whole air samples (WAS) collected aboard the NASA Sherpa C-23 during the Student Airborne Research Program (SARP) showed elevated concentrations of hydrogen near LAX (950 ± 110 ppbv) compared to global average concentrations of 560 ± 20 ppbv. Trace gas analysis along with wind trajectories obtained with the NOAA HySPLIT models indicate that the source of elevated mixing ratios was leakage from H2 fuel stations in the surrounding areas. Correlation and ratio analyses eliminate the potential for common photochemical sources of H2 in the LAX area. This project could elucidate new and potential factors that contribute to the global atmospheric hydrogen budget.

Mapping low-frequency carbon radio recombination lines towards Cassiopeia A at 340, 148, 54, and 43 MHz

NASA Astrophysics Data System (ADS)

Salas, P.; Oonk, J. B. R.; van Weeren, R. J.; Wolfire, M. G.; Emig, K. L.; Toribio, M. C.; Röttgering, H. J. A.; Tielens, A. G. G. M.

2018-04-01

Quantitative understanding of the interstellar medium requires knowledge of its physical conditions. Low-frequency carbon radio recombination lines (CRRLs) trace cold interstellar gas and can be used to determine its physical conditions (e.g. electron temperature and density). In this work, we present spatially resolved observations of the low-frequency (≤390 MHz) CRRLs centred around C268α, C357α, C494α, and C539α towards Cassiopeia A on scales of ≤1.2 pc. We compare the spatial distribution of CRRLs with other interstellar medium tracers. This comparison reveals a spatial offset between the peak of the CRRLs and other tracers, which is very characteristic for photodissociation regions and that we take as evidence for CRRLs being preferentially detected from the surfaces of molecular clouds. Using the CRRLs, we constrain the gas electron temperature and density. These constraints on the gas conditions suggest variations of less than a factor of 2 in pressure over ˜1 pc scales, and an average hydrogen density of 200-470 cm-3. From the electron temperature and density maps, we also constrain the ionized carbon emission measure, column density, and path length. Based on these, the hydrogen column density is larger than 1022 cm-2, with a peak of ˜4 × 1022 cm-2 towards the south of Cassiopeia A. Towards the southern peak, the line-of-sight length is ˜40 pc over a ˜2 pc wide structure, which implies that the gas is a thin surface layer on a large (molecular) cloud that is only partially intersected by Cassiopeia A. These observations highlight the utility of CRRLs as tracers of low-density extended H I and CO-dark gas halo's around molecular clouds.

Reductive deconstruction of organosolv lignin catalyzed by zeolite supported nickel nanoparticles

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

Kasakov, Stanislav; Shi, Hui; Camaioni, Donald M.

2015-11-01

Mechanistic aspects of deconstruction and hydrodeoxygenation of organosolv lignin using supported Ni catalysts with (Ni/HZSM-5 and Ni/HBEA) and without Brønsted acid sites (Ni/SiO2) are reported. Lignin was deconstructed and converted to saturated cyclic hydrocarbons ranging from C5 to C14. In the one-stage reaction, full conversion with total yield of 70 ± 5 wt.% saturated hydrocarbons was achieved at 593 K and 20 bar H2. The organosolv lignin used consists of seven to eight monolignol subunits and has an average molecular weight of ca. 1200 g mol-1. The monolignols were mainly guaiacyl, syringyl and phenylcoumaran, randomly interconnected through β-O-4, 4-O-5, β-1,more » 5-5’ and β-β ether bonds. In situ IR spectroscopy was used to follow the changes in lignin constituents during reaction. The proposed reaction pathways for the catalytic transformation of this organosolv lignin to alkanes start with the hydrogenolysis of aryl alkyl ether bonds, followed by hydrogenation of the aromatic compounds on Ni to cyclic alcohols. Oxygen is removed from the alcohols via dehydration on Brønsted acid sites to yield cyclic alkenes that are further hydrogenated to alkanes. Formation of condensation products may occur via intermolecular recombination of aromatic monomers or alkylation of aromatic compounds by alkenes. The financial support from TUM-PNNL cooperation project “Development of new methods for in situ characterization in liquid phase reactions” (CN-177939) is highly appreciated. The work by S.K., H.S., and J.A.L was partially supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.« less

Bioaugmentation of Hydrogenispora ethanolica LX-B affects hydrogen production through altering indigenous bacterial community structure.

PubMed

Yang, Zhiman; Guo, Rongbo; Shi, Xiaoshuang; He, Shuai; Wang, Lin; Dai, Meng; Qiu, Yanling; Dang, Xiaoxiao

2016-07-01

Bioaugmentation can facilitate hydrogen production from complex organic substrates, but it still is unknown how indigenous microbial communities respond to the added bacteria. Here, using a Hydrogenispora ethanolica LX-B (named as LX-B) bioaugmentation experiments, the distribution of metabolites and the responses of indigenous bacterial communities were investigated via batch cultivation (BC) and repeated batch cultivation (RBC). In BC the LX-B/sludge ratio of 0.12 achieved substantial high hydrogen yield, which was over twice that of control. In RBC one-time bioaugmentation and repeated batch bioaugmentation of LX-B resulted in the hydrogen yield that was average 1.2-fold and 0.8-fold higher than that in control, respectively. This improved hydrogen production performance mainly benefited from a shift in composition of the indigenous bacterial community caused by LX-B bioaugmentation. The findings represented an important step in understanding the relationship between bioaugmentation, a shift in bacterial communities, and altered bioreactor performance. Copyright © 2016 Elsevier Ltd. All rights reserved.

Role of Hydrogen and Structure on CMSX-2

NASA Technical Reports Server (NTRS)

Baker, C. L.; Chene, J.; Kromp, W.; Pinczolitis, H.; Bernstein, S. M.; Williams, J. C.

1985-01-01

The goal was to characterize and understand the detailed effect of hydrogen on the tensile and fatigue behavior of single crystals of CMSX-2. Specimens were solutionized, air cooled, and then aged in one of two ways. The resultant macro and microstructure included a pronounced dendritic structure with numerous low angle boundaries in the interdendritic region and on the average a high level of porosity with a large variation in size and distribution. Hydrogen permeability and diffusivity in this material was found to be very low at room temperature. Hydrogen concentration studies on thin samples yielded values significantly higher than found for similar charging conditions in nickel and stainless steels. The tensile mechanical properties were found to depend on hydrogen concentration. SEM observations of the brittle subsurface zone revealed a strong correlation between crack initiation sites and voids just beneath the surface. The hollow and solid samples were compared to better understand the influence of increased charged volume on the fatigue behavior.

Lithium-decorated oxidized graphyne for hydrogen storage by first principles study

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

Yan, Zeyu; Wang, Lang; Cheng, Julong

2014-11-07

The geometric stability and hydrogen storage capacity of Li decorated oxidized γ-graphyne are studied based on the first-principles calculations. It is found that oxygen atoms trend to bond with acetylenic carbons and form C=O double bonds on both sides of graphyne. The binding energy of single Li atom on oxidized graphyne is 3.29 eV, owning to the strong interaction between Li atom and O atom. Meanwhile, the dispersion of Li is stable even under a relatively high density. One attached Li atom can at least adsorb six hydrogen molecules around. Benefitting from the porous structure of graphyne and the high attachedmore » Li density, a maximum hydrogen storage density 12.03 wt. % is achieved with four Li atoms in graphyne cell. The corresponding average binding energy is 0.24 eV/H{sub 2}, which is suitable for reversible storage. These results indicate that Li decorated graphyne can serve as a promising hydrogen storage material.« less

Hydrogen motion in Zircaloy-4 cladding during a LOCA transient

NASA Astrophysics Data System (ADS)

Elodie, T.; Jean, D.; Séverine, G.; M-Christine, B.; Michel, C.; Berger, P.; Martine, B.; Antoine, A.

2016-04-01

Hydrogen and oxygen are key elements influencing the embrittlement of zirconium-based nuclear fuel cladding during the quench phase following a Loss Of Coolant Accident (LOCA). The understanding of the mechanisms influencing the motion of these two chemical elements in the metal is required to fully describe the material embrittlement. High temperature steam oxidation tests were performed on pre-hydrided Zircaloy-4 samples with hydrogen contents ranging between 11 and 400 wppm prior to LOCA transient. Thanks to the use of both Electron Probe Micro-Analysis (EPMA) and Elastic Recoil Detection Analysis (μ-ERDA), the chemical elements partitioning has been systematically quantified inside the prior-β phase. Image analysis and metallographic examinations were combined to provide an average oxygen profile as well as hydrogen profile within the cladding thickness after LOCA transient. The measured hydrogen profile is far from homogeneous. Experimental distributions are compared to those predicted numerically using calculations derived from a finite difference thermo-diffusion code (DIFFOX) developed at IRSN.

Preprototype independent air revitalization subsystem

NASA Technical Reports Server (NTRS)

Schubert, F. H.; Hallick, T. M.; Woods, R. R.

1982-01-01

The performance and maturity of a preprototype, three-person capacity, automatically controlled and monitored, self-contained independent air revitalization subsystem were evaluated. The subsystem maintains the cabin partial pressure of oxygen at 22 kPa (3.2 psia) and that of carbon dioxide at 400 Pa (3 mm Hg) over a wide range of cabin air relative humidity conditions. Consumption of water vapor by the water vapor electrolysis module also provides partial humidity control of the cabin environment. During operation, the average carbon dioxide removal efficiency at baseline conditions remained constant throughout the test at 84%. The average electrochemical depolarized concentrator cell voltage at the end of the parametric/endurance test was 0.41 V, representing a very slowly decreasing average cell voltage. The average water vapor electrolysis cell voltage increased only at a rate of 20 mu/h from the initial level of 1.67 V to the final level of 1.69 V at conclusion of the testing.

Solvent Refined Coal (SRC) process. Research and development report No. 53, interim report No. 29, August-November, 1978. Volume VI. Process development unit studies. Part 1

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

None

1980-01-01

This report presents the results of seven SRC-II runs on Process Development Unit P99 feeding Pittsburgh Seam coal. Four of these runs (Runs 41-44) were made feeding coal from the Robinson Run Mine and three (Runs 45-47) were made feeding a second shipment of coal from the Powhatan No. 5 Mine. This work showed that both these coals are satisfactory feedstocks for the SRC-II process. Increasing dissolver outlet hydrogen partial pressure from approximately 1300 to about 1400 psia did not have a significant effect on yields from Robinson Run coal, but simultaneously increasing coal concentration in the feed slurry frommore » 25 to 30 wt% and decreasing the percent recycle solids from 21% to 17% lowered distillate yields. With the Powhatan coal, a modest increase in the boiling temperature (approximately 35/sup 0/F) at the 10% point) of the process solvent had essentially no effect on product yields, while lowering the average dissolver temperature from 851/sup 0/F to 842/sup 0/F reduced gas yield.« less

Measurements of gas parameters in plasma-assisted supersonic combustion processes using diode laser spectroscopy

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

Bolshov, Mikhail A; Kuritsyn, Yu A; Liger, V V

2009-09-30

We report a procedure for temperature and water vapour concentration measurements in an unsteady-state combustion zone using diode laser absorption spectroscopy. The procedure involves measurements of the absorption spectrum of water molecules around 1.39 {mu}m. It has been used to determine hydrogen combustion parameters in M = 2 gas flows in the test section of a supersonic wind tunnel. The relatively high intensities of the absorption lines used have enabled direct absorption measurements. We describe a differential technique for measurements of transient absorption spectra, the procedure we used for primary data processing and approaches for determining the gas temperature andmore » H{sub 2}O concentration in the probed zone. The measured absorption spectra are fitted with spectra simulated using parameters from spectroscopic databases. The combustion-time-averaged ({approx}50 ms) gas temperature and water vapour partial pressure in the hot wake region are determined to be 1050 K and 21 Torr, respectively. The large signal-to-noise ratio in our measurements allowed us to assess the temporal behaviour of these parameters. The accuracy in our temperature measurements in the probed zone is {approx}40 K. (laser applications and other topics in quantum electronics)« less

Rheo-NMR Measurements of Cocoa Butter Crystallized Under

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

Mudge, E.; Mazzanti, G

2009-01-01

Modifications of a benchtop NMR instrument were made to apply temperature control to a shearing NMR cell. This has enabled the determination in situ of the solid fat content (SFC) of cocoa butter under shearing conditions. The cocoa butter was cooled at 3 C/min to three final temperatures of 17.5, 20.0, and 22.5 C with applied shear rates between 45 and 720 s-1. Polymorphic transitions of the cocoa butter were determined using synchrotron X-ray diffraction with an identical shearing system constructed of Lexan. Sheared samples were shown to have accelerated phase transitions compared to static experiments. In experiments where formmore » V was confirmed to be the dominant polymorph, the final SFC averaged around 50%. However, when other polymorphic forms were formed, a lower SFC was measured because the final temperature was within the melting range of that polymorph and only partial crystallization happened. A shear rate of 720 s-1 delayed phase transitions, likely due to viscous heating of the sample. Pulsed NMR is an invaluable tool for determining the crystalline fraction in hydrogen containing materials, yet its use for fundamental and industrial research on fat or alkanes crystallization under shear has only recently been developed.« less

Isolation of thermally stable cellulose nanocrystals by phosphoric acid hydrolysis.

PubMed

Camarero Espinosa, Sandra; Kuhnt, Tobias; Foster, E Johan; Weder, Christoph

2013-04-08

On account of their intriguing mechanical properties, low cost, and renewable nature, high-aspect-ratio cellulose nanocrystals (CNCs) are an attractive component for many nanomaterials. Due to hydrogen bonding between their surface hydroxyl groups, unmodified CNCs (H-CNCs) aggregate easily and are often difficult to disperse. It is shown here that on account of ionic repulsion between charged surface groups, slightly phosphorylated CNCs (P-CNCs, average dimensions 31 ± 14 × 316 ± 127 nm, surface charge density = 10.8 ± 2.7 mmol/kg cellulose), prepared by controlled hydrolysis of cotton with phosphoric acid, are readily dispersible and form stable dispersions in polar solvents such as water, dimethyl sulfoxide, and dimethylformamide. Thermogravimetric analyses reveal that these P-CNCs exhibit a much higher thermal stability than partially sulfated CNCs (S-CNCs), which are frequently employed, but suffer from limited thermal stability. Nanocomposites of an ethylene oxide-epichlorohydrin copolymer and H-CNCs, S-CNCs, and P-CNCs were prepared, and their mechanical properties were studied by dynamic mechanical thermal analysis. The results show that P-CNCs offer a reinforcing capability that is comparable to that of H-CNCs or S-CNCs.

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Measurements of gas parameters in plasma-assisted supersonic combustion processes using diode laser spectroscopy

NASA Astrophysics Data System (ADS)

Bolshov, Mikhail A.; Kuritsyn, Yu A.; Liger, V. V.; Mironenko, V. R.; Leonov, S. B.; Yarantsev, D. A.

2009-09-01

We report a procedure for temperature and water vapour concentration measurements in an unsteady-state combustion zone using diode laser absorption spectroscopy. The procedure involves measurements of the absorption spectrum of water molecules around 1.39 μm. It has been used to determine hydrogen combustion parameters in M = 2 gas flows in the test section of a supersonic wind tunnel. The relatively high intensities of the absorption lines used have enabled direct absorption measurements. We describe a differential technique for measurements of transient absorption spectra, the procedure we used for primary data processing and approaches for determining the gas temperature and H2O concentration in the probed zone. The measured absorption spectra are fitted with spectra simulated using parameters from spectroscopic databases. The combustion-time-averaged (~50 ms) gas temperature and water vapour partial pressure in the hot wake region are determined to be 1050 K and 21 Torr, respectively. The large signal-to-noise ratio in our measurements allowed us to assess the temporal behaviour of these parameters. The accuracy in our temperature measurements in the probed zone is ~40 K.

Bulk hydrogen abundances in the lunar highlands: Measurements from orbital neutron data

NASA Astrophysics Data System (ADS)

Lawrence, David J.; Peplowski, Patrick N.; Plescia, Jeffrey B.; Greenhagen, Benjamin T.; Maurice, Sylvestre; Prettyman, Thomas H.

2015-07-01

The first map of bulk hydrogen concentrations in the lunar highlands region is reported. This map is derived using data from the Lunar Prospector Neutron Spectrometer (LP-NS). We resolve prior ambiguities in the interpretation of LP-NS data with respect to non-polar hydrogen concentrations by comparing the LP-NS data with maps of the 750 nm albedo reflectance, optical maturity, and the wavelength position of the thermal infrared Christiansen Feature. The best explanation for the variations of LP-NS epithermal neutron data in the lunar highlands is variable amounts of solar-wind-implanted hydrogen. The average hydrogen concentration across the lunar highlands and away from the lunar poles is 65 ppm. The highest hydrogen values range from 120 ppm to just over 150 ppm. These values are consistent with the range of hydrogen concentrations from soils and regolith breccias at the Apollo 16 highlands landing site. Based on a moderate-to-strong correlation of epithermal neutrons and orbit-based measures of surface maturity, the map of highlands hydrogen concentration represents a new global maturity index that can be used for studies of the lunar soil maturation process. We interpret these hydrogen concentrations to represent a bulk soil property related to the long-term impact of the space environment on the lunar surface. Consequently, the derived hydrogen concentrations are not likely related to the surficial enhancements (top tens to hundreds of microns) or local time variations of OH/H2O measured with spectral reflectance data.

Regeneration in United States Department of Agriculture Forest Service mixed conifer partial cuttings in the Blue Mountains of Oregon and Washington.

Treesearch

K.W. Seidel; S. Conrade. Head

1983-01-01

A survey in the Blue Mountains of north-eastern Oregon and southeastern Washington showed that, on the average, partial cuts in the grand fir/big huckleberry community were well stocked with a mixture of advance, natural post-harvest, and planted reproduction of a number of species. Partial cuts in the mixed conifer/pinegrass community had considerably fewer seedlings...

Thomson scattering in the average-atom approximation.

PubMed

Johnson, W R; Nilsen, J; Cheng, K T

2012-09-01

The average-atom model is applied to study Thomson scattering of x-rays from warm dense matter with emphasis on scattering by bound electrons. Parameters needed to evaluate the dynamic structure function (chemical potential, average ionic charge, free electron density, bound and continuum wave functions, and occupation numbers) are obtained from the average-atom model. The resulting analysis provides a relatively simple diagnostic for use in connection with x-ray scattering measurements. Applications are given to dense hydrogen, beryllium, aluminum, and titanium plasmas. In the case of titanium, bound states are predicted to modify the spectrum significantly.

A bill to amend the Richard B. Russell National School Lunch Act to prohibit schools that participate in the Federal school meal programs from serving foods that contain trans fats derived from partially hydrogenated oils.

THOMAS, 111th Congress

Sen. Gillibrand, Kirsten E. [D-NY

2009-07-22

Senate - 07/22/2009 Read twice and referred to the Committee on Agriculture, Nutrition, and Forestry. (All Actions) Tracker: This bill has the status IntroducedHere are the steps for Status of Legislation:

Stability of solid oxide fuel cell materials

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

Armstrong, T.R.; Bates, J.L.; Chick, L.A.

1996-04-01

Interconnection materials in a solid oxide fuel cell are exposed to both highly oxidizing conditions at the cathode and to highly reducing conditions at the anode. The thermal expansion characteristics of substituted lanthanum and yttrium chromite interconnect materials were evaluated by dilatometry as a function of oxygen partial pressures from 1 atm to 10{sup -18} atm, controlled using a carbon dioxide/hydrogen buffer.

The discovery of 9/8-ribbons, β/γ-peptides with curved shapes governed by a combined configuration-conformation code.

PubMed

Grison, Claire M; Robin, Sylvie; Aitken, David J

2015-11-21

The de novo design of a β/γ-peptidic foldamer motif has led to the discovery of an unprecedented 9/8-ribbon featuring an uninterrupted alternating C9/C8 hydrogen-bonding network. The ribbons adopt partially curved topologies determined synchronistically by the β-residue configuration and the γ-residue conformation sets.

Amino Acid and Peptide Utilization Profiles of the Fluoroacetate-Degrading Bacterium Synergistetes Strain MFA1 Under Varying Conditions.

PubMed

Leong, Lex E X; Denman, Stuart E; Hugenholtz, Philip; McSweeney, Christopher S

2016-02-01

Synergistetes strain MFA1 is an asaccharolytic ruminal bacterium isolated based on its ability to degrade fluoroacetate, a plant toxin. The amino acid and peptide requirements of the bacterium were investigated under different culturing conditions. The growth of strain MFA1 and its fluoroacetate degradation rate were enhanced by peptide-rich protein hydrolysates (tryptone and yeast extract) compared to casamino acid, an amino acid-rich protein hydrolysate. Complete utilization and preference for arginine, asparagine, glutamate, glycine, and histidine as free amino acids from yeast extract were observed, while the utilization of serine, threonine, and lysine in free form and peptide-bound glutamate was stimulated during growth on fluoroacetate. A predominant peptide in yeast extract preferentially utilized by strain MFA1 was partially characterized by high-liquid performance chromatography-mass spectrometry as a hepta-glutamate oligopeptide. Similar utilization profiles of amino acids were observed between the co-culture of strain MFA1 with Methanobrevibacter smithii without fluoroacetate and pure strain MFA1 culture with fluoroacetate. This suggests that growth of strain MFA1 could be enhanced by a reduction of hydrogen partial pressure as a result of hydrogen removal by a methanogen or reduction of fluoroacetate.

Atomic Beam Scattering Methods to Study Overlayer Structures and H-Surface Interaction Relevant to Astrophysics

NASA Astrophysics Data System (ADS)

Lin, Jingsu

In this thesis we present results of experimental methods for studying surface structures of ultra-thin films and describe a new apparatus to study the recombination of atomic hydrogen on well characterized low temperature surface using atomic and molecular beam methods. We have used atomic beam scattering (ABS) to characterize the growth of mercury and lead overlayers on Cu(001) surface. The structures of ordered phases have been identified using ABS and low-energy electron diffraction (LEED). A model to analyze diffraction data from these phases is presented. The new apparatus we are going to describe includes a high performance atomic hydrogen source using radio-frequency (RF) dissociation. The dissociation efficiency can be as high as 90% in the optimized pressure range. An atomic hydrogen beam line has been added to our ultra-high vacuum (UHV) scattering apparatus. We have also designed and constructed a low temperature sample manipulator for experiments at liquid helium temperatures. The manipulator has one degree of freedom of rotation and the capability of heating the sample to 700K and cooling down to 12K. The first sample studied was a single graphite surface. We have used a He beam to characterize the sample surface and to monitor deposition of H on the sample surface in real time. A series of "adsorption curves" have been obtained at different temperature and doses. We found that at temperatures below 16K, both H and H_2 have formed a partial layer on the surface. From adsorption curve, we deduce that the initial sticking coefficient for H is about 0.06 when surface at 16K. When the H beam is interrupted, the He specularly reflected beam recovers partially, indicating that hydrogen atoms desorb, while others remain on the surface. The residual coverage of H is estimated to be about 2% of a monolayer.

Effect of turbulence on the beam quality of apertured partially coherent beams.

PubMed

Ji, Xiaoling; Ji, Guangming

2008-06-01

The effects of turbulence on the beam quality of apertured partially coherent beams have been studied both analytically and numerically. Taking the Gaussian Schell-model (GSM) beam as a typical example of partially coherent beams, closed-form expressions for the average intensity, mean-squared beam width, power in the bucket, beta parameter, and Strehl ratio of apertured partially coherent beams propagating through atmospheric turbulence are derived. It is shown that the smaller the beam truncation parameter is, the less affected by turbulence the apertured partially coherent beams are. Furthermore, the apertured partially coherent beams are less sensitive to the effects of turbulence than unapertured ones. The main results are interpreted physically.

[Importance of occlusion therapy for amblyopia in partial unilateral congenital cataracts that are discovered late].

PubMed

Denion, E; Dedes, V; Bonne, M; Labalette, P; Berger, C; Guilbert, F; Bouckehove, S; Rouland, J-F

2004-11-01

The aim of this study is to investigate the importance of occlusion therapy for amblyopia in patients with partial unilateral congenital cataracts that were discovered after 24 months of age. A retrospective study was conducted on 11 patients, each of whom underwent a clinical examination including a cycloplegic refraction with atropine. The average age when the cataract was diagnosed was 35 months. The average distance visual acuity was 6/78 and the average near visual acuity was 35/175. Occlusion therapy using adhesive patches was started after refractive error correction. In two cases, observance was mediocre. Ametropia was found in every patient, with anisometropia in nine patients (alpha < 0.02). This anisometropia included an astigmatism that was always greater on the side with the cataract (alpha < 0.001), averaging 2.7 diopters. After occlusion therapy for amblyopia, the average visual acuity significantly improved to 6/22 in distance vision (alpha < 0.02) and 35/45 in near vision (alpha < 0.01). The average follow-up period was 28 months (5-60 months). Amblyopia is related to lens opacities as well as frequently associated anisometropia. Functional improvement is greater in near vision than in distance vision. With occlusion therapy for amblyopia, accommodation is preserved. This factor is of utmost importance as near vision is preferential in young children. This study provides an opportunity to recall the importance of refraction and occlusion therapy for amblyopia, which must be systematically attempted in cases of partial unilateral congenital cataracts before considering a surgical procedure.

Estimating the Seasonal Importance of Precipitation to Plant Source Water over Time and Space with Water Isotopes

NASA Astrophysics Data System (ADS)

Nelson, D. B.; Kahmen, A.

2017-12-01

The stable isotopic composition of hydrogen and oxygen are physical properties of water molecules that can carry information on their sources or transport histories. This provides a useful tool for assessing the importance of rainfall at different times of the year for plant growth, provided that rainwater values vary over time and that waters do not partially evaporate after deposition. We tested the viability of this approach using data from samples collected at nineteen sites throughout Europe at monthly intervals over two consecutive growing seasons in 2014 and 2015. We compared isotope measurements of plant xylem water with soil water from multiple depths, and measured and modeled precipitation isotope values. Paired analyses of oxygen and hydrogen isotope values were used to screen out a limited number of water samples that were influenced by evaporation, with the majority of all water samples indicating meteoric sources. The isotopic composition of soil and xylem waters varied over the course of an individual growing season, with many trending towards more enriched values, suggesting integration of the plant-relevant water pool at a timescale shorter than the annual mean. We then quantified how soil water residence times varied at each site by calculating the interval between measured xylem water and the most recently preceding match in modeled precipitation isotope values. Results suggest a generally increasing interval between rainfall and plant uptake throughout each year, with source water corresponding to dates in the spring, likely reflecting a combination of spring rain, and mixing with winter and summer precipitation. The seasonally evolving spatial distribution of source water-precipitation lag values was then modeled as a function of location and climatology to develop continental-scale predictions. This spatial portrait of the average date for filling the plant source water pool provides insights on the seasonal importance of rainfall for plant growth. It also permits continental scale predictions of monthly plant source water isotope values, with applications to improving isotopic paleoclimate proxies from plants such as tree rings or sedimentary leaf waxes, and for using oxygen and hydrogen isotopes to track the origins of agricultural products.

Formic Acid Formation by Clostridium ljungdahlii at Elevated Pressures of Carbon Dioxide and Hydrogen

PubMed Central

Oswald, Florian; Stoll, I. Katharina; Zwick, Michaela; Herbig, Sophia; Sauer, Jörg; Boukis, Nikolaos; Neumann, Anke

2018-01-01

Low productivities of bioprocesses using gaseous carbon and energy sources are usually caused by the low solubility of those gases (e.g., H2 and CO). It has been suggested that increasing the partial pressure of those gases will result in higher dissolved concentrations and should, therefore, be helpful to overcome this obstacle. Investigations of the late 1980s with mixtures of hydrogen and carbon monoxide showed inhibitory effects of carbon monoxide partial pressures above 0.8 bar. Avoiding any effects of carbon monoxide, we investigate growth and product formation of Clostridium ljungdahlii at absolute process pressures of 1, 4, and 7 bar in batch stirred tank reactor cultivations with carbon dioxide and hydrogen as sole gaseous carbon and energy source. With increasing process pressure, the product spectrum shifts from mainly acetic acid and ethanol to almost only formic acid at a total system pressure of 7 bar. On the other hand, no significant changes in overall product yield can be observed. By keeping the amount of substance flow rate constant instead of the volumetric gas feed rate when increasing the process pressure, we increased the overall product yield of 7.5 times of what has been previously reported in the literature. After 90 h of cultivation at a total pressure of 7 bar a total of 4 g L−1 of products is produced consisting of 82.7 % formic acid, 15.6 % acetic acid, and 1.7 % ethanol. PMID:29484294

Effects of partially hydrogenated, semi-saturated, and high oleate vegetable oils on inflammatory markers and lipids.

PubMed

Teng, Kim-Tiu; Voon, Phooi-Tee; Cheng, Hwee-Ming; Nesaretnam, Kalanithi

2010-05-01

Knowledge about the effects of dietary fats on subclinical inflammation and cardiovascular disease risk are mainly derived from studies conducted in Western populations. Little information is available on South East Asian countries. This current study investigated the chronic effects on serum inflammatory markers, lipids, and lipoproteins of three vegetable oils. Healthy, normolipidemic subjects (n = 41; 33 females, 8 males) completed a randomized, single-blind, crossover study. The subjects consumed high oleic palm olein (HOPO diet: 15% of energy 18:1n-9, 9% of energy 16:0), partially hydrogenated soybean oil (PHSO diet: 7% of energy 18:1n-9, 10% of energy 18:1 trans) and an unhydrogenated palm stearin (PST diet: 11% of energy 18:1n-9, 14% of energy 16:0). Each dietary period lasted 5 weeks with a 7 days washout period. The PHSO diet significantly increased serum concentrations of high sensitivity C-reactive protein compared to HOPO and PST diets (by 26, 23%, respectively; P < 0.05 for both) and significantly decreased interleukin-8 (IL-8) compared to PST diet (by 12%; P < 0.05). In particular PHSO diet, and also PST diet, significantly increased total:HDL cholesterol ratio compared to HOPO diet (by 23, 13%, respectively; P < 0.05), with the PST diet having a lesser effect than the PHSO diet (by 8%; P < 0.05). The use of vegetable oils in their natural state might be preferred over one that undergoes the process of hydrogenation in modulating blood lipids and inflammation.

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

NASA Astrophysics Data System (ADS)

1994-05-01

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

A comparison of full and partial lighting on two sections of roadway.

DOT National Transportation Integrated Search

1980-01-01

The average illumination levels and uniformity of the lighting were determined on the two sections of roadway when all of the lighting was in operation and when the lighting was partially turned off. The illumination on both sections was found to be ...

Stationary Fuel Cell System Composite Data Products | Hydrogen and Fuel

Science.gov Websites

Capacity by Equipment Type CDP STAT 14, 10/21/15 Average Eligible Cost by Equipment Type, including Other Distributed Generation CDP STAT 15, 10/21/15 Average Eligible Cost for Biogas Sources CDP STAT 16, 10/21/15 Capacity and Eligible Cost (CHP Fuel Cells) CDP STAT 22, 10/21/15 Distribution of Eligible Cost with and

Modelling of the combustion velocity in UIT-85 on sustainable alternative gas fuel

NASA Astrophysics Data System (ADS)

Smolenskaya, N. M.; Korneev, N. V.

2017-05-01

The flame propagation velocity is one of the determining parameters characterizing the intensity of combustion process in the cylinder of an engine with spark ignition. Strengthening of requirements for toxicity and efficiency of the ICE contributes to gradual transition to sustainable alternative fuels, which include the mixture of natural gas with hydrogen. Currently, studies of conditions and regularities of combustion of this fuel to improve efficiency of its application are carried out in many countries. Therefore, the work is devoted to modeling the average propagation velocities of natural gas flame front laced with hydrogen to 15% by weight of the fuel, and determining the possibility of assessing the heat release characteristics on the average velocities of the flame front propagation in the primary and secondary phases of combustion. Experimental studies, conducted the on single cylinder universal installation UIT-85, showed the presence of relationship of the heat release characteristics with the parameters of the flame front propagation. Based on the analysis of experimental data, the empirical dependences for determination of average velocities of flame front propagation in the first and main phases of combustion, taking into account the change in various parameters of engine operation with spark ignition, were obtained. The obtained results allow to determine the characteristics of heat dissipation and to assess the impact of addition of hydrogen to the natural gas combustion process, that is needed to identify ways of improvement of the combustion process efficiency, including when you change the throttling parameters.

Coal liquefaction process utilizing coal/CO.sub.2 slurry feedstream

DOEpatents

Comolli, Alfred G.; McLean, Joseph B.

1989-01-01

A coal hydrogenation and liquefaction process in which particulate coal feed is pressurized to an intermediate pressure of at least 500 psig and slurried with CO.sub.2 liquid to provide a flowable coal/CO.sub.2 slurry feedstream, which is further pressurized to at least 1000 psig and fed into a catalytic reactor. The coal particle size is 50-375 mesh (U.S. Sieve Series) and provides 50-80 W % coal in the coal/CO.sub.2 slurry feedstream. Catalytic reaction conditions are maintained at 650.degree.-850.degree. F. temperature, 1000-4000 psig hydrogen partial pressure and coal feed rate of 10-100 lb coal/hr ft.sup.3 reactor volume to produce hydrocarbon gas and liquid products. The hydrogen and CO.sub.2 are recovered from the reactor effluent gaseous fraction, hydrogen is recycled to the catalytic reactor, and CO.sub.2 is liquefied and recycled to the coal slurrying step. If desired, two catalytic reaction stages close coupled together in series relation can be used. The process advantageously minimizes the recycle and processing of excess hydrocarbon liquid previously needed for slurrying the coal feed to the reactor(s).

IR-UV double resonance spectroscopic investigation of phenylacetylene-alcohol complexes. Alkyl group induced hydrogen bond switching.

PubMed

Singh, Prashant Chandra; Patwari, G Naresh

2008-06-12

The electronic transitions of phenylacetylene complexes with water and trifluoroethanol are shifted to the blue, while the corresponding transitions for methanol and ethanol complexes are shifted to the red relative to the phenylacetylene monomer. Fluorescence dip infrared (FDIR) spectra in the O-H stretching region indicate that, in all the cases, phenylacetylene is acting as a hydrogen bond acceptor to the alcohols. The FDIR spectrum in the acetylenic C-H stretching region shows Fermi resonance bands for the bare phenylacetylene, which act as a sensitive tool to probe the intermolecular structures. The FDIR spectra reveal that water and trifluoroethanol interact with the pi electron density of the acetylene C-C triple bond, while methanol and ethanol interact with the pi electron density of the benzene ring. It can be inferred that the hydrogen bonding acceptor site on phenylacetylene switches from the acetylene pi to the benzene pi with lowering in the partial charge on the hydrogen atom of the OH group. The most significant finding is that the intermolecular structures of water and methanol complexes are notably distinct, which, to the best of our knowledge, this is first such observation in the case of complexes of substituted benzenes.

Catalytically Enhanced Hydrogen Sorption in Mg-MgH2 by Coupling Vanadium-Based Catalyst and Carbon Nanotubes

PubMed Central

Kadri, Atikah; Jia, Yi; Chen, Zhigang; Yao, Xiangdong

2015-01-01

Mg (MgH2)-based composites, using carbon nanotubes (CNTs) and pre-synthesized vanadium-based complex (VCat) as the catalysts, were prepared by high-energy ball milling technique. The synergistic effect of coupling CNTs and VCat in MgH2 was observed for an ultra-fast absorption rate of 6.50 wt. % of hydrogen per minute and 6.50 wt. % of hydrogen release in 10 min at 200 °C and 300 °C, respectively. The temperature programmed desorption (TPD) results reveal that coupling VCat and CNTs reduces both peak and onset temperatures by more than 60 °C and 114 °C, respectively. In addition, the presence of both VCat and CNTs reduces the enthalpy and entropy of desorption of about 7 kJ/mol H2 and 11 J/mol H2·K, respectively, as compared to those of the commercial MgH2, which ascribe to the decrease of desorption temperature. From the study of the effect of CNTs milling time, it is shown that partially destroyed CNTs (shorter milling time) are better to enhance the hydrogen sorption performance.

Mechanistic Insights into Photocatalyzed Hydrogen Desorption from Palladium Surfaces Assisted by Localized Surface Plasmon Resonances.

PubMed

Spata, Vincent A; Carter, Emily A

2018-04-24

Nanoparticles synthesized from plasmonic metals can absorb low-energy light, producing an oscillation/excitation of their valence electron density that can be utilized in chemical conversions. For example, heterogeneous photocatalysis can be achieved within heterometallic antenna-reactor complexes (HMARCs), by coupling a reactive center at which a chemical reaction occurs to a plasmonic nanoparticle that acts as a light-absorbing antenna. For example, HMARCs composed of aluminum antennae and palladium (Pd) reactive centers have been demonstrated recently to catalyze selective hydrogenation of acetylene to ethylene. Here, we explore within a theoretical framework the rate-limiting step of hydrogen photodesorption from a Pd surface-crucial to achieving partial rather than full hydrogenation of acetylene-to understand the mechanism behind the photodesorption process within the HMARC assembly. To properly describe electronic excited states of the metal-molecule system, we employ embedded complete active space self-consistent field and n-electron valence state perturbation theory to second order within density functional embedding theory. The results of these calculations reveal that the photodesorption mechanism does not create a frequently invoked transient negative ion species but instead enhances population of available excited-state, low-barrier pathways that exhibit negligible charge-transfer character.

Influence of renormalization shielding on the electron-impact ionization process in dense partially ionized plasmas

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

Song, Mi-Young; Yoon, Jung-Sik; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr

2015-04-15

The renormalization shielding effects on the electron-impact ionization of hydrogen atom are investigated in dense partially ionized plasmas. The effective projectile-target interaction Hamiltonian and the semiclassical trajectory method are employed to obtain the transition amplitude as well as the ionization probability as functions of the impact parameter, the collision energy, and the renormalization parameter. It is found that the renormalization shielding effect suppresses the transition amplitude for the electron-impact ionization process in dense partially ionized plasmas. It is also found that the renormalization effect suppresses the differential ionization cross section in the peak impact parameter region. In addition, it ismore » found that the influence of renormalization shielding on the ionization cross section decreases with an increase of the relative collision energy. The variations of the renormalization shielding effects on the electron-impact ionization cross section are also discussed.« less

Renormalization shielding effect on the Wannier-ridge mode for double-electron continua in partially ionized dense hydrogen plasmas

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

Lee, Myoung-Jae; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr; Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, 110 8th Street, Troy, New York 12180-3590

2016-01-15

The influence of renormalization shielding on the Wannier threshold law for the double-electron escapes by the electron-impact ionization is investigated in partially ionized dense plasmas. The renormalized electron charge and Wannier exponent are obtained by considering the equation of motion in the Wannier-ridge including the renormalization shielding effect. It is found that the renormalization shielding effect reduces the magnitude of effective electron charge, especially, within the Bohr radius in partially ionized dense plasmas. The maximum position of the renormalized electron charge approaches to the center of the target atom with an increase of the renormalization parameter. In addition, the Wanniermore » exponent increases with an increase of the renormalization parameter. The variations of the renormalized electron charge and Wannier exponent due to the renormalization shielding effect are also discussed.« less

Consistent transport coefficients in astrophysics

NASA Technical Reports Server (NTRS)

Fontenla, Juan M.; Rovira, M.; Ferrofontan, C.

1986-01-01

A consistent theory for dealing with transport phenomena in stellar atmospheres starting with the kinetic equations and introducing three cases (LTE, partial LTE, and non-LTE) was developed. The consistent hydrodynamical equations were presented for partial-LTE, the transport coefficients defined, and a method shown to calculate them. The method is based on the numerical solution of kinetic equations considering Landau, Boltzmann, and Focker-Planck collision terms. Finally a set of results for the transport coefficients derived for a partially ionized hydrogen gas with radiation was shown, considering ionization and recombination as well as elastic collisions. The results obtained imply major changes is some types of theoretical model calculations and can resolve some important current problems concerning energy and mass balance in the solar atmosphere. It is shown that energy balance in the lower solar transition region can be fully explained by means of radiation losses and conductive flux.

The change of steel surface chemistry regarding oxygen partial pressure and dew point

NASA Astrophysics Data System (ADS)

Norden, Martin; Blumenau, Marc; Wuttke, Thiemo; Peters, Klaus-Josef

2013-04-01

By investigating the surface state of a Ti-IF, TiNb-IF and a MnCr-DP after several series of intercritical annealing, the impact of the annealing gas composition on the selective oxidation process is discussed. On behalf of the presented results, it can be concluded that not the general oxygen partial pressure in the annealing furnace, which is a result of the equilibrium reaction of water and hydrogen, is the main driving force for the selective oxidation process. It is shown that the amounts of adsorbed gases at the strip surface and the effective oxygen partial pressure resulting from the adsorbed gases, which is mainly dependent on the water content of the annealing furnace, is driving the selective oxidation processes occurring during intercritical annealing. Thus it is concluded, that for industrial applications the dew point must be the key parameter value for process control.

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